FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Carpenter, D Westover, TL Czernik, S Jablonski, W AF Carpenter, Daniel Westover, Tyler L. Czernik, Stefan Jablonski, Whitney TI Biomass feedstocks for renewable fuel production: a review of the impacts of feedstock and pretreatment on the yield and product distribution of fast pyrolysis bio-oils and vapors SO GREEN CHEMISTRY LA English DT Review ID FLUIDIZED-BED REACTOR; LIGNOCELLULOSIC BIOMASS; CORN STOVER; CHEMICAL-COMPOSITION; CATALYTIC PYROLYSIS; ALKALI RELEASE; MINERAL MATTER; PINUS-PINASTER; WHEAT-STRAW; RICE STRAW AB Renewable transportation fuels from biomass have the potential to substantially reduce greenhouse gas emissions and diversify global fuel supplies. Thermal conversion by fast pyrolysis converts up to 75% of the starting plant material (and its energy content) to a bio-oil intermediate suitable for upgrading to motor fuel. Woody biomass, by far the most widely-used and researched material, is generally preferred in thermochemical processes due to its low ash content and high qualify bio-oil produced. However, the availability and cost of biomass resources, e.g. forest residues, agricultural residues, or dedicated energy crops, vary greatly by region and will be key determinates in the overall economic feasibility of a pyrolysis-to-fuel process. Formulation or blending of various feedstocks, combined with thermal and/or chemical pretreatment, could facilitate a consistent, high-volume, lower-cost biomass supply to an emerging biofuels industry. However, the impact of biomass type and pretreatment conditions on bio-oil yield and quality, and the potential process implications, are not well understood. This literature review summarizes the current state of knowledge regarding the effect of feedstock and pretreatments on the yield, product distribution, and upgradability of bio-oil. C1 [Carpenter, Daniel; Czernik, Stefan; Jablonski, Whitney] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Westover, Tyler L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Carpenter, D (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy,MS 3322, Golden, CO 80401 USA. EM Daniel.Carpenter@nrel.gov FU U.S. Department of Energy under National Renewable Energy Laboratory [DE-AC36-08-GO28308]; U.S. Department of Energy under Department of Energy Idaho Operations Office [DE-AC07-05ID14517] FX This work was supported by the U.S. Department of Energy under Contract no. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory and Contract no. DE-AC07-05ID14517 with the Department of Energy Idaho Operations Office. The authors are also indebted to C. Nichol of Idaho National Laboratory for helpful discussions and editorial suggestions. NR 153 TC 101 Z9 102 U1 21 U2 185 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PD FEB PY 2014 VL 16 IS 2 BP 384 EP 406 DI 10.1039/c3gc41631c PG 23 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA AA8NR UT WOS:000331352700002 ER PT J AU Talmadge, MS Baldwin, RM Biddy, MJ McCormick, RL Beckham, GT Ferguson, GA Czernik, S Magrini-Bair, KA Foust, TD Metelski, PD Hetrick, C Nimlos, MR AF Talmadge, Michael S. Baldwin, Robert M. Biddy, Mary J. McCormick, Robert L. Beckham, Gregg T. Ferguson, Glen A. Czernik, Stefan Magrini-Bair, Kimberly A. Foust, Thomas D. Metelski, Peter D. Hetrick, Casey Nimlos, Mark R. TI A perspective on oxygenated species in the refinery integration of pyrolysis oil SO GREEN CHEMISTRY LA English DT Review ID WATER-INSOLUBLE FRACTION; 2-DIMENSIONAL GAS-CHROMATOGRAPHY; CONTINUOUS FLASH PYROLYSIS; BIOMASS FAST PYROLYSIS; BIO-OIL; RAPID PYROLYSIS; CATALYTIC CRACKING; REACTION PATHWAYS; FORESTRY RESIDUE; HZSM-5 ZEOLITE AB Pyrolysis offers a rapid and efficient Means to depolymerize lignocellulosic biomass, resulting in gas, liquid, and solid products with varying yields and compositions depending on the process conditions. With respect to manufacture of "drop-in" liquid transportation fuels from biomass, a potential benefit from pyrolysis arises from the production of a liquid or vapor that could possibly be integrated into existing refinery infrastructure, thus offsetting the capital-intensive investment needed for a smaller scale, standalone biofuels production facility. However, pyrolysis typically yields a significant amount of reactive, oxygenated species including organic acids, aldehydes, ketones, and oxygenated aromatics. These oxygenated species present significant challenges that will undoubtedly require pre-processing of a pyrolysis-derived stream before the pyrolysis oil can be integrated into the existing refinery infrastructure. Here we present a perspective of how the overall chemistry of pyrolysis products must be modified to ensure optimal integration in standard petroleum refineries, and we explore the various points of integration in the refinery infrastructure. In addition, we identify several research and development needs that will answer critical questions regarding the technical and economic feasibility of refinery integration of pyrolysis-derived products. C1 [Talmadge, Michael S.; Baldwin, Robert M.; Biddy, Mary J.; Beckham, Gregg T.; Ferguson, Glen A.; Czernik, Stefan; Magrini-Bair, Kimberly A.; Foust, Thomas D.; Nimlos, Mark R.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [McCormick, Robert L.] Natl Renewable Energy Lab, Transportat & Hydrogen Syst Ctr, Golden, CO 80401 USA. [Beckham, Gregg T.] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. [Metelski, Peter D.; Hetrick, Casey] BP Refining & Mkt Res & Technol, Naperville, IL USA. RP Talmadge, MS (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM mark.nimlos@nrel.gov RI McCormick, Robert/B-7928-2011 FU National Advanced Biofuels Consortium; US Department of Energy (DOE) BioEnergy Technologies Office (BETO); US DOE BETO FX We acknowledge funding from the National Advanced Biofuels Consortium, funded by the US Department of Energy (DOE) BioEnergy Technologies Office (BETO) through Recovery Act Funds and the US DOE BETO program that supported this effort. We would like to thank researchers at BP for stimulating conversations in this area. NR 206 TC 58 Z9 58 U1 2 U2 86 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PD FEB PY 2014 VL 16 IS 2 BP 407 EP 453 DI 10.1039/c3gc41951g PG 47 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA AA8NR UT WOS:000331352700003 ER PT J AU Ruddy, DA Schaidle, JA Ferrell, JR Wang, J Moens, L Hensley, JE AF Ruddy, Daniel A. Schaidle, Joshua A. Ferrell, Jack R., III Wang, Jun Moens, Luc Hensley, Jesse E. TI Recent advances in heterogeneous catalysts for bio-oil upgrading via "ex situ catalytic fast pyrolysis": catalyst development through the study of model compounds SO GREEN CHEMISTRY LA English DT Review ID NICKEL PHOSPHIDE CATALYSTS; TRANSITION-METAL PHOSPHIDES; BIOMASS FAST PYROLYSIS; AU-C INTERACTIONS; MOLYBDENUM CARBIDE CATALYSTS; MIXED ALCOHOLS SYNTHESIS; SURFACE-AREA MOP; TUNGSTEN CARBIDE; AQUEOUS-PHASE; HYDRODESULFURIZATION PROPERTIES AB Advances in heterogeneous catalysis are driven by the structure-function relationships that define catalyst performance (i.e., activity, selectivity, lifetime). To understand these relationships, cooperative research is required: prediction and analysis using computational models, development of new synthetic methods to prepare specific solid-state compositions and structures, and identification of catalytically active site(s), surface-bound intermediates, and mechanistic pathways. In the application of deoxygenating and upgrading biomass pyrolysis vapors, a fundamental understanding of the factors that favor C-O bond cleavage and C-C bond formation is still needed. In this review, we focus on recent advances in heterogeneous catalysts for hydrodeoxygenation of biomass pyrolysis products. Focus is placed on studies that made use of model compounds for comparisons of catalysts and the reaction networks they promote. Applications of transition metal sulfide catalysts for deoxygenation processes are highlighted, and compared to the performances of noble metal and metal carbide, nitride, and phosphide catalysts. In general, it is found that bifunctional catalysts are required for deoxygenation in a single reactor, with bifunctionality achieved on the catalyst or in conjunction with the catalyst support. Catalysts that activate hydrogen well will be preferred for ex situ catalytic pyrolysis conditions (upgrading downstream of pyrolysis reactor prior to condensation of bio-oil, pressures near atmospheric, temperatures between 350-500 degrees C). Supports that limit chemisorption of large reactants (leading to blockage of catalyst sites) should be employed. Finally, the stability of the catalyst and support in high-steam and low hydrogen-to-carbon environments will be critical. C1 [Ruddy, Daniel A.; Wang, Jun] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. [Schaidle, Joshua A.; Ferrell, Jack R., III; Moens, Luc; Hensley, Jesse E.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO USA. RP Ruddy, DA (reprint author), Natl Renewable Energy Lab, Chem & Mat Sci Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM jesse.hensley@nrel.gov RI Wang, Jun/G-6180-2010 FU DOE Bioenergy Technology Office under National Renewable Energy Laboratory [DE-AC36-08-GO28308] FX The preparation of this review article was supported through the DOE Bioenergy Technology Office under Contract no. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. NR 278 TC 94 Z9 94 U1 23 U2 247 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PD FEB PY 2014 VL 16 IS 2 BP 454 EP 490 DI 10.1039/c3gc41354c PG 37 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA AA8NR UT WOS:000331352700004 ER PT J AU Zacher, AH Olarte, MV Santosa, DM Elliott, DC Jones, SB AF Zacher, Alan H. Olarte, Mariefel V. Santosa, Daniel M. Elliott, Douglas C. Jones, Susanne B. TI A review and perspective of recent bio-oil hydrotreating research SO GREEN CHEMISTRY LA English DT Review ID FAST PYROLYSIS LIQUIDS; CATALYTIC CRACKING; AQUEOUS FRACTION; FLUIDIZED-BED; TECHNOECONOMIC ANALYSIS; TRANSPORTATION FUELS; ADVANCED BIOFUELS; MODEL COMPOUNDS; REFINERY UNITS; BIOMASS AB The pathway for catalytic hydrodeoxygenation (HDO) of biomass-derived fast pyrolysis oil represents a compelling route for production of liquid transportation fuels. This is a review of the published research and patent literature in bio-oil HDO over the last 6 years performed with actual bio-oils and identifiable strategy for production of an infrastructure compatible liquid transportation fuel. Research is moving towards continuous, industrially relevant processes generating data to inform techno-economic analysis (TEA) and understand the nature of the fuels produced. Research gaps identified include: (1) focus on process integration; (2) developing appropriate quality metrics for intermediates; (3) evaluating research by TEA; and (4) meeting fuel functional requirements and comparison to ASTM standards for existing fuels. C1 [Zacher, Alan H.; Olarte, Mariefel V.; Santosa, Daniel M.; Elliott, Douglas C.; Jones, Susanne B.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zacher, AH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM alan.zacher@pnnl.gov RI Olarte, Mariefel/D-3217-2013 OI Olarte, Mariefel/0000-0003-2989-1110 NR 132 TC 99 Z9 100 U1 16 U2 181 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PD FEB PY 2014 VL 16 IS 2 BP 491 EP 515 DI 10.1039/c3gc41382a PG 25 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA AA8NR UT WOS:000331352700005 ER PT J AU Ramasamy, KK Gerber, MA Flake, M Zhang, H Wang, Y AF Ramasamy, Karthikeyan K. Gerber, Mark A. Flake, Matthew Zhang, He Wang, Yong TI Conversion of biomass-derived small oxygenates over HZSM-5 and its deactivation mechanism SO GREEN CHEMISTRY LA English DT Article ID TO-HYDROCARBONS REACTION; PYROLYSIS OIL; ACETIC-ACID; O-COMPOUNDS; ZEOLITES; METHANOL; TRANSFORMATION; CHEMISTRY; ALCOHOLS; CATALYST AB HZSM-5 catalyst deactivation was studied using aqueous feed mixtures containing ethanol, ethanol + acetic acid, ethanol + ethyl acetate, or ethanol + acetaldehyde in a fixed bed reactor at 360 degrees C and 300 psig. Compared to an ethanol alone experiment, addition of other oxygenates reduced catalyst life in the order of: ethyl acetate < acetic acid < acetaldehyde. Based on the liquid product and spent catalyst analyses from the individual ethanol, acetaldehyde, acetic acid, and ethyl acetate feeds, the presence of acetaldehyde appears to produce high molecular weight aromatic compounds which deactivate the catalyst through a pore-blocking mechanism. Acetic acid deactivates the catalyst through an active site poisoning mechanism or strong adsorption of acetate intermediates on the active sites (hydroxyl groups). Ethanol deactivates the catalyst primarily through its pore-blocking mechanism, but the rate of ethanol deactivation is orders of magnitude slower than that of acetaldehyde. Ethyl acetate hydrolyzes to form acetic acid and ethanol which deactivate the catalyst through their respective mechanisms. In addition, each functional group of oxygenates requires different active sites/catalysts and different operating conditions due to competitive adsorptions on active sites for their conversion to the desired products. Therefore, it is necessary to pre-treat the mixture of oxygenates to produce a feed stream containing the same or similar functional group compounds before converting the feed stream to hydrocarbon compounds over the HZSM-5 catalyst. C1 [Ramasamy, Karthikeyan K.; Gerber, Mark A.; Flake, Matthew; Wang, Yong] Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Richland, WA 99354 USA. [Ramasamy, Karthikeyan K.; Zhang, He; Wang, Yong] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. RP Ramasamy, KK (reprint author), Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Richland, WA 99354 USA. EM karthi@pnnl.gov; yong.wang@pnnl.gov RI Ramasamy, karthikeyan/H-9981-2014 FU U.S. Department of Energy [DE-AC05-76RL01830]; U.S. Department of Energy Office of the Biomass Program; Laboratory Directed Research and Development program at PNNL FX The Pacific Northwest National Laboratory is operated by the Battelle Memorial Institute for the U.S. Department of Energy under contract no. DE-AC05-76RL01830. This work was supported by the U.S. Department of Energy Office of the Biomass Program. The authors also thank the Laboratory Directed Research and Development program at PNNL for funding the project. NR 40 TC 19 Z9 19 U1 2 U2 45 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PD FEB PY 2014 VL 16 IS 2 BP 748 EP 760 DI 10.1039/c3gc41369a PG 13 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA AA8NR UT WOS:000331352700027 ER PT J AU Sturgeon, MR O'Brien, MH Ciesielski, PN Katahira, R Kruger, JS Chmely, SC Hamlin, J Lawrence, K Hunsinger, GB Foust, TD Baldwin, RM Biddy, MJ Beckham, GT AF Sturgeon, Matthew R. O'Brien, Marykate H. Ciesielski, Peter N. Katahira, Rui Kruger, Jacob S. Chmely, Stephen C. Hamlin, Jessica Lawrence, Kelsey Hunsinger, Glendon B. Foust, Thomas D. Baldwin, Robert M. Biddy, Mary J. Beckham, Gregg T. TI Lignin depolymerisation by nickel supported layered-double hydroxide catalysts SO GREEN CHEMISTRY LA English DT Article ID MG-AL HYDROTALCITE; O BOND-CLEAVAGE; ARYL ETHERS; PHENOL HYDROGENATION; ALDOL CONDENSATION; VANADIUM CATALYST; XANTPHOS CATALYST; AEROBIC OXIDATION; CO CHEMISORPTION; BASE CATALYSTS AB Lignin depolymerisation is traditionally facilitated with homogeneous acid or alkaline catalysts. Given the effectiveness of homogeneous basic catalysts for lignin depolymerisation, here, heterogeneous solid-base catalysts are screened for C-O bond cleavage using a model compound that exhibits a common arylether linkage in lignin. Hydrotalcite (HTC), a layered double hydroxide (LDH), is used as a support material as it readily harbours hydroxide anions in the brucite-like layers, which are hypothesised to participate in catalysis. A 5 wt% Ni/HTC catalyst is particularly effective at C-O bond cleavage of a model dimer at 270 degrees C without nickel reduction, yielding products from C-O bond cleavage identical to those derived from a base-catalysed mechanism. The 5% Ni-HTC catalyst is shown to depolymerise two types of biomass-derived lignin, namely Organosolv and ball-milled lignin, which produces alkyl-aromatic products. X-ray photoelectron spectroscopy and energy dispersive X-ray spectroscopy show that the nickel is well dispersed and converts to a mixed valence nickel oxide upon loading onto the HTC support. The structure of the catalyst was characterised by scanning and transmission electron microscopy and X-ray diffraction, which demonstrates partial dehydration upon reaction, concomitant with a base-catalysed mechanism employing hydroxide for C-O bond cleavage. However, the reaction does not alter the overall catalyst microstructure, and nickel does not appreciably leach from the catalyst. This study demonstrates that nickel oxide on a solid-basic support can function as an effective lignin depolymerisation catalyst without the need for external hydrogen and reduced metal, and suggests that LDHs offer a novel, active support in multifunctional catalyst applications. C1 [Sturgeon, Matthew R.; O'Brien, Marykate H.; Katahira, Rui; Kruger, Jacob S.; Chmely, Stephen C.; Hamlin, Jessica; Lawrence, Kelsey; Hunsinger, Glendon B.; Foust, Thomas D.; Baldwin, Robert M.; Biddy, Mary J.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Sturgeon, Matthew R.; O'Brien, Marykate H.; Hamlin, Jessica; Lawrence, Kelsey; Foust, Thomas D.; Baldwin, Robert M.; Biddy, Mary J.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Adv Biofuels Consortium, Golden, CO USA. [Ciesielski, Peter N.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO USA. RP Sturgeon, MR (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM mary.biddy@nrel.gov; gregg.beckham@nrel.gov FU National Advanced Biofuels Consortium; US Department of Energy (DOE) BioEnergy Technologies Office (BETO) through Recovery Act Funds; US DOE BETO; NREL Laboratory Directed Research and Development Program; Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center; U.S. DOE, Office of Science, Office of Basic Energy Sciences [DE-SC0000997] FX We acknowledge funding from the National Advanced Biofuels Consortium, funded by the US Department of Energy (DOE) BioEnergy Technologies Office (BETO) through Recovery Act Funds, the US DOE BETO, the NREL Laboratory Directed Research and Development Program, and the Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center funded by the U.S. DOE, Office of Science, Office of Basic Energy Sciences, Award Number DE-SC0000997. We thank David Johnson for conducting the GPC measurements, Joel Pankow and Svitlana Pylypenko for collecting and analysing XPS data, and Jessica Olstad for performing the ICP and CHN analyses. NR 77 TC 44 Z9 44 U1 11 U2 222 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PD FEB PY 2014 VL 16 IS 2 BP 824 EP 835 DI 10.1039/c3gc42138d PG 12 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA AA8NR UT WOS:000331352700035 ER PT J AU Ewbank, JL Kovarik, L Kenvin, CC Sievers, C AF Ewbank, Jessica L. Kovarik, Libor Kenvin, Christian C. Sievers, Carsten TI Effect of preparation methods on the performance of Co/Al2O3 catalysts for dry reforming of methane SO GREEN CHEMISTRY LA English DT Article ID SUPPORTED COBALT CATALYSTS; FISCHER-TROPSCH SYNTHESIS; TEMPERATURE-PROGRAMMED REDUCTION; SOLUTION/GAMMA-ALUMINA INTERFACE; HIGHLY DISPERSED NOBLE; OXIDE-WATER INTERFACE; CARBON-DIOXIDE; ELECTROSTATIC ADSORPTION; BIMETALLIC CATALYSTS; AQUEOUS-SOLUTION AB Two methods, dry impregnation (DI) and controlled adsorption (CA), are used for the preparation of Co/Al2O3 catalysts for methane dry reforming reactions. Point of zero charge (PZC) measurements, pH-precipitation studies, and adsorption isotherms are used to develop a synthesis procedure in which deposition of Co2+ takes place in a more controlled manner than metal deposition during drying in synthesis by dry impregnation. The possible adsorption phenomena that occur during preparation of Co/Al2O3 catalysts by controlled adsorption are discussed. H-2 chemisorption and TEM show that catalysts prepared by CA have smaller average particle sizes and higher dispersions. TPR studies show that for the sample prepared by CA a higher amount of cobalt is reduced to its metallic state and that more CoAl2O4 spinet species are present relative to DI samples. The catalyst prepared by CA shows higher activity and slower deactivation for methane dry reforming than the catalyst prepared by DI. XPS and C, H, N analysis on spent catalysts confirm two types of carbonaceous deposits are formed depending on the preparation method. C1 [Ewbank, Jessica L.; Kenvin, Christian C.; Sievers, Carsten] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30032 USA. [Ewbank, Jessica L.; Sievers, Carsten] Georgia Inst Technol, Inst Paper Sci, Atlanta, GA 30032 USA. [Kovarik, Libor] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Ewbank, JL (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30032 USA. EM carsten.sievers@chbe.gatech.edu RI Sievers, Carsten/C-1574-2013; Kovarik, Libor/L-7139-2016; OI Sievers, Carsten/0000-0002-5713-1875; Kovarik, Libor/0000-0002-2418-6925 FU Dow Chemical Company; Institute of Paper Science; DOE's Office of Biological and Environmental Research FX The authors wish to thank Micromeritics Corporation and Jeff Kenvin for TPR and H2 chemisorption measurements. We also wish to thank Hye-Ran Cho, Jadid Samad, and John R. Regalbuto for valuable guidance on rational catalyst synthesis and for use of Mat lab code. John R. Copeland and Sarah Schimming are thanked for fruitful discussions. Funding from The Dow Chemical Company and the Institute of Paper Science is gratefully acknowledged. Transmission Electron Microscopy described in this paper was conducted in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at PNNL. NR 71 TC 25 Z9 25 U1 4 U2 99 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PD FEB PY 2014 VL 16 IS 2 BP 885 EP 896 DI 10.1039/c3gc41782d PG 12 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA AA8NR UT WOS:000331352700041 ER PT J AU Laskar, DD Tucker, MP Chen, XW Helms, GL Yang, B AF Laskar, Dhrubojyoti D. Tucker, Melvin P. Chen, Xiaowen Helms, Gregory L. Yang, Bin TI Noble-metal catalyzed hydrodeoxygenation of biomass-derived lignin to aromatic hydrocarbons SO GREEN CHEMISTRY LA English DT Article ID PYROLYSIS OIL; BIO-OIL; PRODUCTS; CONVERSION; DEACTIVATION; BIOREFINERY; EXTRACTION; FRACTIONS; CHEMICALS; ZEOLITES AB Conversion of biomass derived lignin to liquid fuels has the promising potential to significantly improve carbon utilization and economic competitiveness of biomass refineries. In this study, an aqueous phase catalytic process was developed to selectively depolymerize the lignin polymeric framework and remove oxygen via hydrodeoxygenation (HDO) reactions. Efficient methods (ethanol and dilute alkali extraction) for selectively producing reactive lignin oligomers with high yields from corn stover were established. Characteristic structural features of the technical lignins employed for hydrocarbon production were elucidated with the aid of advanced analytical techniques, such as 2D HSQC NMR spectroscopy and gel permeation chromatography (GPC). Combinations of noble metal catalysts in the presence of various solid acid zeolites were tested for HDO activity of the oligomeric technical lignins predominantly containing 8-0-4' inter-unit linkages. Results showed 35%-60% conversion of lignin with 65%-70% product selectivity for aromatic hydrocarbons (e.g. toluene) under various HDO conditions in the presence of noble metals (Ru. Rh and Pt) over Al2O3 (or C) supports and solid acid zeolites (e.g., NH4+ Z-Y 57277-14-1) catalyst matrices. C1 [Laskar, Dhrubojyoti D.; Yang, Bin] Washington State Univ, Bioprod Sci & Engn Lab, Dept Biol Syst Engn, Richland, WA 99354 USA. [Tucker, Melvin P.; Chen, Xiaowen] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO USA. [Helms, Gregory L.] Washington State Univ, Nucl Magnet Resonance Ctr, Pullman, WA 99164 USA. RP Laskar, DD (reprint author), Washington State Univ, Bioprod Sci & Engn Lab, Dept Biol Syst Engn, Richland, WA 99354 USA. EM binyang@tricity.wsu.edu RI chen, xiaowen/H-4823-2014; OI yang, bin/0000-0003-1686-8800 FU U.S. Department of Energy [DE-AC36-08GO28308]; U.S. DOE Office of Energy Efficiency and Renewable Energy; National Renewable Energy Laboratory [XGB-2-22204-01]; DARPA [N66001-11-1-414]; National Science Foundation [1258504]; National Renewable Energy Laboratory FX This work was supported by the U.S. Department of Energy under contract no. DE-AC36-08GO28308 with the National Renewable Energy Laboratory. Funding was provided by the U.S. DOE Office of Energy Efficiency and Renewable Energy. We are grateful to the National Renewable Energy Laboratory for subcontract #XGB-2-22204-01, DARPA Young Faculty Award #N66001-11-1-414, and the National Science Foundation Award #1258504 for funding this research. The authors would especially like to thank Drs Yunqaio Pu and Art J. Ragauskas from Georgia Institute of Technology for GPC support. We also acknowledge the Department of Biological Systems Engineering and the Bioproducts, Sciences and Engineering Laboratory at Washington State University. NR 55 TC 30 Z9 31 U1 7 U2 152 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PD FEB PY 2014 VL 16 IS 2 BP 897 EP 910 DI 10.1039/c3gc42041h PG 14 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA AA8NR UT WOS:000331352700042 ER PT J AU Olcay, H Xu, Y Huber, GW AF Olcay, Hakan Xu, Ye Huber, George W. TI Effects of hydrogen and water on the activity and selectivity of acetic acid hydrogenation on ruthenium SO GREEN CHEMISTRY LA English DT Article ID AQUEOUS-PHASE HYDROGENATION; FINDING SADDLE-POINTS; MINIMUM ENERGY PATHS; ELASTIC BAND METHOD; PROPYLENE-GLYCOL; CO DISSOCIATION; SUPPORTED RU; LACTIC-ACID; CATALYSTS; ETHANOL AB Kinetic flow reactor experiments have been carried out to study acetic acid hydrogenation on a Ru/C catalyst in both three-phase (catalyst, aqueous, and gaseous) and two-phase (catalyst and gaseous) regimes. In addition, density functional theory calculations have been performed and combined with microkinetic modeling to better understand the activity and selectivity observed in the experiments. Our experiments show that ethanol selectivity varies strongly from <10% to a maximum of similar to 70% with increasing hydrogen partial pressure (p(H2)) at 185 degrees C in the three-phase reactor. Co-fed water also enhances ethanol selectivity, from similar to 60% to similar to 70% in the two-phase reactor and similar to 40% to similar to 65% in the three-phase reactor, at 185 degrees C, but only up to a certain concentration. The aqueous phase is not necessary for high ethanol selectivity. The first-principles microkinetic analysis is able to reasonably capture the apparent activation energy, ethanol selectivity, and reaction orders of acetic acid and ethanol with respect to pH2, providing a theoretical explanation for the crucial rote that hydrogen plays in the selectivity of this reaction. Our findings provide insights into why high activity and selectivity for acetic acid hydrogenation to ethanol can be achieved on Ru, which may have general relevance to the catalytic hydrogenation of organic oxygenates on Ru and other metals. C1 [Olcay, Hakan; Huber, George W.] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA. [Xu, Ye] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Olcay, H (reprint author), MIT, Dept Aeronaut & Astronaut, Cambridge, MA 02139 USA. EM yexu@lsu.edu; huber@engr.wisc.edu RI Xu, Ye/B-5447-2009 OI Xu, Ye/0000-0002-6406-7832 FU ACS Petroleum Research Fund; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (US-DOE); Office of Science, US-DOE [DE-AC02-05CH11231]; Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center; US-DOE, Office of Science, Office of Basic Energy Sciences FX Experimental work was performed at University of Massachusetts and supported with a grant from the ACS Petroleum Research Fund. Theoretical work was performed at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory (ORNL) by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (US-DOE), and used computing resources of ORNL and the National Energy Research Scientific Computing Center, which is supported by Office of Science, US-DOE, under Contract DE-AC02-05CH11231. G. W. Huber was supported as part of the Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the US-DOE, Office of Science, Office of Basic Energy Sciences. NR 53 TC 12 Z9 12 U1 8 U2 78 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PD FEB PY 2014 VL 16 IS 2 BP 911 EP 924 DI 10.1039/c4gc00011k PG 14 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA AA8NR UT WOS:000331352700043 ER PT J AU Wang, J Zhang, RF Zhou, CZ Beyerlein, IJ Misra, A AF Wang, J. Zhang, R. F. Zhou, C. Z. Beyerlein, I. J. Misra, A. TI Interface dislocation patterns and dislocation nucleation in face-centered-cubic and body-centered-cubic bicrystal interfaces SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Interface; Dislocation; Frank-Bilby; Atomistic simulation ID SCREW DISLOCATION; INTERPHASE BOUNDARIES; METALLIC MULTILAYERS; DYNAMICS SIMULATIONS; TWINNING MECHANISMS; PLASTIC-DEFORMATION; BIMETAL INTERFACES; SLIPPING INTERFACE; GRAIN-BOUNDARIES; SHEAR-STRENGTH AB Nanolayered metallic composites exhibit unusual high strength at the layer thickness in nanometers. Plastic deformation including nucleation, glide, and transmission of dislocations is strongly related to interface structure and properties. Combining atomistic simulations with the classical Frank-Bilby theory, we studied dislocation structures of semicoherent interfaces between face-centered-cubic (fcc) and body-centered-cubic (bcc) crystals. An atomically informed Frank-Bilby theory is proposed for quantitative analysis of interface dislocations. The results showed that (1) seven sets of interface dislocations are present in the Nishiyama-Wasserman (NW) interface and two sets of interface dislocation in the Kurdjumov-Sachs (KS) interface although they are misoriented by only similar to 5.6 degrees; (2) Burgers vectors of interface dislocations can be well defined in a commensurate/coherent dichromatic pattern (CDP) lattice corresponding to the NW interface and the Rotation CDP (RCDP) lattice corresponding to the KS interface; (3) the CDP and RCDP lattices are not simply a geometric average of the two natural lattices; finally we demonstrated that (4) the nucleation of dislocations, including interface dislocation loops corresponding to interface sliding and lattice dislocation loops corresponding to plastic deformation in crystals, are strongly correlated with interface dislocation patterns. Published by Elsevier Ltd. C1 [Wang, J.] Los Alamos Natl Lab, MST Div, Los Alamos, NM 87545 USA. [Zhang, R. F.; Beyerlein, I. J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Zhou, C. Z.] Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87545 USA. [Misra, A.] Missouri Univ Sci & Technol, Dept Mat Sci & Engn, Rolla, MO 65409 USA. RP Wang, J (reprint author), Los Alamos Natl Lab, MST Div, POB 1663, Los Alamos, NM 87545 USA. EM wangj6@lanl.gov RI Beyerlein, Irene/A-4676-2011; Misra, Amit/H-1087-2012; Wang, Jian/F-2669-2012 OI Wang, Jian/0000-0001-5130-300X FU Center for Materials at Irradiation and Mechanical Extremes, an Energy Frontier Research Center; US Department of Energy, Office of Science, Office of Basic Energy Sciences [2008LANL1026]; LDRD [ER20140450, DR20110029] FX This work was supported by the Center for Materials at Irradiation and Mechanical Extremes, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number 2008LANL1026. JW was also supported by LDRD projects ER20140450 and DR20110029. NR 61 TC 31 Z9 31 U1 10 U2 67 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 FEB PY 2014 VL 53 BP 40 EP 55 DI 10.1016/j.ijplas.2013.07.002 PG 16 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA AB0PN UT WOS:000331494700003 ER PT J AU Sun, C Brown, DW Clausen, B Foley, DC Yu, KY Chen, Y Maloy, SA Hartwig, KT Wang, H Zhang, X AF Sun, C. Brown, D. W. Clausen, B. Foley, D. C. Yu, K. Y. Chen, Y. Maloy, S. A. Hartwig, K. T. Wang, H. Zhang, X. TI In situ neutron diffraction study on temperature dependent deformation mechanisms of ultrafine grained austenitic Fe-14Cr-16Ni alloy SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Ultrafine grained Fe-Cr-Ni; In situ neutron diffraction; Deformation mechanisms; Temperature effect ID TENSILE DEFORMATION; TEXTURE EVOLUTION; PROFILE ANALYSIS; STAINLESS-STEEL; BEHAVIOR; STRAIN; MAGNESIUM; DUCTILITY AB Using in situ neutron diffraction technique we investigated the temperature dependent deformation mechanisms in ultrafine grained (UFG) austenitic Fe-14Cr-16Ni alloy prepared by equal channel angular pressing. Tensile test studies show diminished ductility when testing temperature increased from 20 to 200 degrees C. At 200 degrees C, non-linear lattice strain deviation on [200] orientation proceeded plastic yielding by a large margin, accompanied by a greater distortion of crystal structure. In addition, the capability to accumulate dislocations was substantially reduced at 200 degrees C as evidenced by lower dislocation density than that at 20 degrees C. Dynamic recovery expedited at elevated temperature because of enlarged critical separation distance for annihilation of dislocation dipoles via climb. Calculations show that both high angle grain boundaries and thermal kinetic energy assisted the reduction of vacancy formation energy. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Sun, C.; Foley, D. C.; Yu, K. Y.; Chen, Y.; Hartwig, K. T.; Wang, H.; Zhang, X.] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA. [Brown, D. W.; Clausen, B.] Los Alamos Natl Lab, Neutron Sci Ctr, Los Alamos, NM 87545 USA. [Hartwig, K. T.; Zhang, X.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. [Maloy, S. A.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Wang, H.] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. RP Zhang, X (reprint author), Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA. EM zhangx@tamu.edu RI Zhang, Xinghang/H-6764-2013; Wang, Haiyan/P-3550-2014; Clausen, Bjorn/B-3618-2015; Yu, Kaiyuan /B-8398-2014; Maloy, Stuart/A-8672-2009; Chen, Youxing/P-5006-2016 OI Zhang, Xinghang/0000-0002-8380-8667; Wang, Haiyan/0000-0002-7397-1209; Clausen, Bjorn/0000-0003-3906-846X; Yu, Kaiyuan /0000-0002-5442-2992; Maloy, Stuart/0000-0001-8037-1319; Chen, Youxing/0000-0003-1111-4495 FU DOE-NEUP [DE-AC07-051D14517-00088120]; US Army Research Office - Materials Science Division [W911NF-09-1-0223]; [NSF-CMMI-1161978]; [NSF-CMMI- 1129065] FX We acknowledge financial support by DOE-NEUP under contract no. DE-AC07-051D14517-00088120. We also acknowledge partial support by US Army Research Office - Materials Science Division under contract no. W911NF-09-1-0223, and by NSF-CMMI-1161978 and NSF-CMMI- 1129065. NR 40 TC 3 Z9 3 U1 3 U2 22 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 FEB PY 2014 VL 53 BP 125 EP 134 DI 10.1016/j.ijplas.2013.07.007 PG 10 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA AB0PN UT WOS:000331494700008 ER PT J AU Maragliano, L Roux, B Vanden-Eijnden, E AF Maragliano, Luca Roux, Benoit Vanden-Eijnden, Eric TI Comparison between Mean Forces and Swarms-of-Trajectories String Methods SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID TRANSITION PATHWAYS; INTERMEDIATE STATE; INSULIN-RECEPTOR; DYNAMICS; ISOMERIZATION; SIMULATIONS; ACTIVATION; PROTEINS; KINASE; FLIP AB The original formulation of the string method in collective variable space is compared with a recent variant called string method with swarms-of-trajectories. The assumptions made in the original method are revisited and the significance of the minimum free energy path (MFEP) is discussed in the context of reactive events. These assumptions are compared to those made in the string method with swarms-of-trajectories, and shown to be equivalent in a certain regime: in particular an expression for the path identified by the swarms-of-trajectories method is given and shown to be closely related to the MFEP. Finally, the algorithmic aspects of both methods are compared. C1 [Maragliano, Luca; Roux, Benoit] Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. [Roux, Benoit] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Vanden-Eijnden, Eric] NYU, Courant Inst Math Sci, New York, NY 10012 USA. RP Roux, B (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM roux@uchicago.edu; eve2@cims.nyu.edu RI Maragliano, Luca/A-8294-2010 OI Maragliano, Luca/0000-0002-5705-6967 FU National Science Foundation (NSF) [MCB-0920261, DMS07-08140]; Office of Naval Research (ONR) [N00014-11-1-0345] FX We thank Albert C. Pan and Deniz Sezer for stimulating discussions. The research of B.R. was funded by grant MCB-0920261 from the National Science Foundation (NSF). The research of E.V.-E. was supported in part by National Science Foundation grant DMS07-08140 and Office of Naval Research (ONR) grant N00014-11-1-0345. NR 33 TC 10 Z9 10 U1 3 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD FEB PY 2014 VL 10 IS 2 BP 524 EP 533 DI 10.1021/ct400606c PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AA8JS UT WOS:000331342400005 PM 26580029 ER PT J AU Mayhall, NJ Goldey, M Head-Gordon, M AF Mayhall, Nicholas J. Goldey, Matthew Head-Gordon, Martin TI A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong Correlations SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID EXCITATION CONFIGURATION-INTERACTION; QUANTUM RENORMALIZATION-GROUPS; SELF-CONSISTENT-FIELD; OPEN-SHELL SYSTEMS; SPIN-FLIP APPROACH; WAVE-FUNCTIONS; BOND-BREAKING; BINUCLEAR COMPLEXES; ENERGY DIFFERENCES; MOLECULAR-SYSTEMS AB We present a modification of the recently developed Restricted Active Space with n Spin Flips method (RAS-nSF), which provides significant efficiency advantages. In the RAS-nSF configuration interaction wave function, an arbitrary number of spin-flips are performed within an orbital active space (often simply the singly occupied orbitals), with state-specific orbital relaxation being described by single excitations into and out of the active space (termed hole and particle state, respectively). As the number of hole and particle states dominates the cost of the calculation, we present an attractive simplification in which the orbital relaxation effects (via hole and particle states) are treated perturbatively rather than variationally. The physical justification for this simplification stems from the spin-flip methodology itself, which suggests that the underlying molecular orbitals (high-spin ROHF) are capable of providing a decent description of the target (spin-flipped) electronic states. The current approach termed SF-CAS(h,p)(n) (Spin-Flip Complete Active-Space with perturbative Hole and Particle states) yields spin-pure energies and eigenfunctions due to the spin-free formulation. A description of the theory is presented, and a number of numerical examples are investigated to determine the accuracy of the approximation. Computational speedups of over 100 times were demonstrated on a 254 electron, 358 basis function calculation on a Cu(II) porphyrin derivatized with a verdazyl group. C1 [Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu FU Scientific Discovery through Advanced Computing (SciDAC) program; U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research, and Basic Energy Sciences FX Support for this work was provided through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research, and Basic Energy Sciences. We are grateful to Khalid Ibrahim and Sam Williams for helpful discussions concerning the design of the software. Additionally, we would like to thank David Stuck, Dr. Fran Bell, and Dr. Paul Zimmermann for insightful discussions related to this work. NR 79 TC 20 Z9 20 U1 1 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD FEB PY 2014 VL 10 IS 2 BP 589 EP 599 DI 10.1021/ct400898p PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AA8JS UT WOS:000331342400012 PM 26580035 ER PT J AU Akimov, AV Prezhdo, OV AF Akimov, Alexey V. Prezhdo, Oleg V. TI Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherenc:e Effects, Multiexcitonic States, and Field-Matter Interaction SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID MULTIPLE EXCITON GENERATION; DENSITY-FUNCTIONAL THEORY; SENSITIZED SOLAR-CELLS; MOLECULAR-DYNAMICS SIMULATIONS; SEMICONDUCTOR QUANTUM DOTS; BORN-OPPENHEIMER TRAJECTORIES; ELECTRON-TRANSFER REACTIONS; RETINAL CHROMOPHORE MODEL; WATER-SPLITTING SYSTEM; CHARGE-TRANSFER STATES AB In our previous work [J. Chem. Theory Comput. 2013, 9, 4959], we introduced the PYXAID program, developed for the purpose of performing nonadiabatic molecular dynamics simulations in large-scale condensed matter systems. The methodological aspects and the basic capabilities of the program have been extensively discussed. In the present work, we perform a thorough investigation of advanced capabilities of the program, namely, the advanced integration techniques for the time-dependent Schrodinger equation (TD-SE), the decoherence corrections via decoherence-induced surface hopping, the use of multiexciton basis configurations, and the direct simulation of photoexcitation via explicit light-matter interaction. We demonstrate the importance of the mentioned features by studying the electronic dynamics in a variety of systems. In particular, we demonstrate that the advanced integration techniques for solving TD-SE may lead to a significant speedup of the calculations and provide more stable solutions. We show that decoherence is necessary for accurate description of slow relaxation processes such as electron-hole recombination in solid C-60. By using multiexciton configurations and direct, nonperturbative treatment of field-matter interactions,. we found nontrivial optimality conditions for the multiple exciton generation in a small silicon cluster. C1 [Akimov, Alexey V.; Prezhdo, Oleg V.] Univ Rochester, Dept Chem, Rochester, NY 14627 USA. [Akimov, Alexey V.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Prezhdo, OV (reprint author), Univ Rochester, Dept Chem, Rochester, NY 14627 USA. EM oleg.prezhdo@rochester.edu RI Akimov, Alexey/H-9547-2014 FU Computational Materials and Chemical Sciences Network (CMCSN) project at Brookhaven National Laboratory [DE-AC02-98CH10886]; U.S. Department of Energy, Division of Chemical Sciences, Geosciences & Biosciences, Office of Basic Energy Sciences; U.S. Department of Energy [DE-SC0006527] FX A.V.A. was funded by the Computational Materials and Chemical Sciences Network (CMCSN) project at Brookhaven National Laboratory under contract DE-AC02-98CH10886 with the U.S. Department of Energy and supported by its Division of Chemical Sciences, Geosciences & Biosciences, Office of Basic Energy Sciences. O.V.P. acknowledges financial support of the U.S. Department of Energy, grant DE-SC0006527. NR 130 TC 41 Z9 41 U1 2 U2 42 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD FEB PY 2014 VL 10 IS 2 BP 789 EP 804 DI 10.1021/ct400934c PG 16 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AA8JS UT WOS:000331342400031 PM 26580053 ER PT J AU Ringbom, A Axelsson, A Aldener, M Auer, M Bowyer, TW Fritioff, T Hoffman, I Khrustalev, K Nikkinen, M Popov, V Popov, Y Ungar, K Wotawa, G AF Ringbom, A. Axelsson, A. Aldener, M. Auer, M. Bowyer, T. W. Fritioff, T. Hoffman, I. Khrustalev, K. Nikkinen, M. Popov, V. Popov, Y. Ungar, K. Wotawa, G. TI Radioxenon detections in the CTBT international monitoring system likely related to the announced nuclear test in North Korea on February 12, 2013 SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE North Korea nuclear test; CTBT; IMS; Radioxenon ID MODELING SYSTEM; DISPERSION; VERIFICATION; ACCIDENT; SUPPORT; XENON AB Observations made in April 2013 of the radioxenon isotopes Xe-133 and Xe-131m at measurement stations in Japan and Russia, belonging to the International Monitoring System for verification of the Comprehensive Nuclear-Test-Ban Treaty, are unique with respect to the measurement history of these stations. Comparison of measured data with calculated isotopic ratios as well as analysis using atmospheric transport modeling indicate that it is likely that the xenon measured was created in the underground nuclear test conducted by North Korea on February 12, 2013, and released 7-8 weeks later. More than one release is required to explain all observations. The 131mXe source terms for each release were calculated to 0.7 TBq, corresponding to about 1-10% of the total xenon inventory for a 10 kt explosion, depending on fractionation and release scenario. The observed ratios could not be used to obtain any information regarding the fissile material that was used in the test. (C) 2013 The Authors. Published by Elsevier Ltd. All rights reserved. C1 [Ringbom, A.; Axelsson, A.; Aldener, M.; Fritioff, T.] Swedish Def Res Agcy FOI, SE-16490 Stockholm, Sweden. [Auer, M.; Khrustalev, K.; Nikkinen, M.] Comprehens Nucl Test Ban Treaty Org, Preparatory Commiss, Provis Tech Secretariat, A-1400 Vienna, Austria. [Bowyer, T. W.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Hoffman, I.; Ungar, K.] Hlth Canada, Radiat Protect Bur, Ottawa, ON K1A 1C1, Canada. [Wotawa, G.] Cent Inst Meteorol & Geodynam ZAMG, A-1190 Vienna, Austria. RP Ringbom, A (reprint author), Swedish Def Res Agcy FOI, Gulfossgatan 12, SE-16490 Stockholm, Sweden. EM anders.ringbom@foi.se NR 31 TC 17 Z9 17 U1 1 U2 20 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 FEB PY 2014 VL 128 BP 47 EP 63 DI 10.1016/j.jenvrad.2013.10.027 PG 17 WC Environmental Sciences SC Environmental Sciences & Ecology GA AB0KV UT WOS:000331481700008 PM 24316684 ER PT J AU Alverdy, J Gilbert, J DeFazio, JR Sadowsky, MJ Chang, EB Morowitz, MJ Teitelbaum, DH AF Alverdy, John Gilbert, Jack DeFazio, Jennifer R. Sadowsky, Michael J. Chang, Eugene B. Morowitz, Michael J. Teitelbaum, Daniel H. TI Proceedings of the 2014 ASPEN Research Workshop: The Interface Between Nutrition and the Gut Microbiome: Implications and Applications for Human Health SO JOURNAL OF PARENTERAL AND ENTERAL NUTRITION LA English DT Review DE adult; life cycle; pediatrics; genomics; research and diseases ID TOTAL PARENTERAL-NUTRITION; RECURRENT CLOSTRIDIUM-DIFFICILE; EMPIRICAL ANTIBIOTIC-TREATMENT; INTESTINAL BARRIER FUNCTION; INFLAMMATORY-BOWEL-DISEASE; SULFATE-REDUCING BACTERIA; NEGATIVE ANAEROBIC ROD; DIET-INDUCED OBESITY; NECROTIZING ENTEROCOLITIS; MOUSE MODEL AB The human and earth microbiomes are among the most important biological agents in understanding and preventing disease. Technology is advancing at a fast pace and allowing for high-resolution analysis of the composition and function of our microbial partners across regions, space, and time. Bioinformaticists and biostatisticians are developing ever more elegant displays to understand the generated megadatasets. A virtual cyberinfrastructure of search engines to cross-reference the rapidly developing data is emerging in line with technologic advances. Nutrition science will reap the benefits of this new field, and its role in preserving the earth and the humans who inhabit it will become evidently clear. In this report we highlight some of the topics of an A.S.P.E.N.-sponsored symposium held during Clinical Nutrition Week in 2013 that address the importance of the human microbiome to human health and disease. C1 [Alverdy, John; DeFazio, Jennifer R.] Univ Chicago, Dept Surg, Chicago, IL 60637 USA. [Gilbert, Jack] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Gilbert, Jack] Argonne Natl Lab, Chicago, IL USA. [Sadowsky, Michael J.] Univ Minnesota, Dept Microbiol, Minneapolis, MN 55455 USA. [Sadowsky, Michael J.] Univ Minnesota, Biotech Inst, St Paul, MN 55108 USA. [Chang, Eugene B.] Univ Chicago, Dept Med, Chicago, IL 60637 USA. [Morowitz, Michael J.] Univ Pittsburgh, Sch Med, Dept Surg, Pittsburgh, PA USA. [Teitelbaum, Daniel H.] Univ Michigan, Dept Surg, CS Mott Childrens Hosp, Ann Arbor, MI 48109 USA. RP Alverdy, J (reprint author), Univ Chicago, Ctr Surg Treatment Obes, Chicago, IL 60637 USA. EM jalverdy@surgery.bsd.uchicago.edu RI Sadowsky, Michael/J-2507-2016 OI Sadowsky, Michael/0000-0001-8779-2781 FU National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK) [1R13DK097953-01]; March of Dimes Foundation [5-FY10-103]; Abbott Nutrition FX Funding for the A.S.P.E.N. 2013 Research Workshop: The Interface Between Nutrition and the Gut Microbiome was made possible (in part) by grant 1R13DK097953-01 from the National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK). The views expressed in written conference materials or publications and by speakers and moderators do not necessarily reflect the official policies of the Department of Health and Human Services; nor does mention by trade names, commercial practices, or organizations imply endorsement by the U.S. Government. The work in this paper was also supported by March of Dimes Foundation Research Grant 5-FY10-103. Additional conference funding was provided by Abbott Nutrition. NR 104 TC 9 Z9 9 U1 1 U2 22 PU SAGE PUBLICATIONS INC PI THOUSAND OAKS PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA SN 0148-6071 EI 1941-2444 J9 JPEN-PARENTER ENTER JI J. Parenter. Enter. Nutr. PD FEB PY 2014 VL 38 IS 2 BP 167 EP 178 DI 10.1177/0148607113517904 PG 12 WC Nutrition & Dietetics SC Nutrition & Dietetics GA AA5GR UT WOS:000331124600005 PM 24379111 ER PT J AU Dykstra, AB Brice, L Rodriguez, M Raman, B Izquierdo, J Cook, KD Lyne, LR Hettich, RL AF Dykstra, Andrew B. St Brice, Lois Rodriguez, Miguel, Jr. Raman, Babu Izquierdo, Javier Cook, Kelsey D. Lyne, Lee R. Hettich, Robert L. TI Development of a Multipoint Quantitation Method to Simultaneously Measure Enzymatic and Structural Components of the Clostridium thermocellum Cellulosome Protein Complex SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE protein quantitation; absolute quantitation; Clostridium thermocellum; cellulosome; enzyme-linked immunosorbent assay; multiple reaction monitoring mass spectrometry ID PROTEOMIC ANALYSIS; IDENTIFICATION TECHNOLOGY; PEPTIDE-IDENTIFICATION; SHOTGUN PROTEOMICS; BICINCHONINIC ACID; BATCH CULTURES; CELL; QUANTIFICATION; CELLULASE; MIXTURES AB Clostridium thermocellum has emerged as a leading bioenergy-relevant microbe due to its ability to solubilize cellulose into carbohydrates, mediated by multicomponent membrane-attached complexes termed cellulosomes. To probe microbial cellulose utilization rates, it is desirable to be able to measure the concentrations of saccharolytic enzymes and estimate the total amount or cellulosome present on a mass basis. Current cellulase determination methodologies involve labor-intensive purification procedures and only allow for indirect determination of abundance. We have developed a method using multiple reaction monitoring (MRM-MS) to simultaneously quantitate both enzymatic and structural components of the cellulosome protein complex in samples ranging in complexity from purified cellulosomes to whole cell lysates, as an alternative to a previously developed enzyme-linked immunosorbent assay (ELISA) method of cellulosome quantitation. The precision of the cellulosome mass concentration in technical replicates is better than 5% relative standard deviation for all samples, indicating high precision for determination of the mass concentration of cellulosome components. C1 [Dykstra, Andrew B.; Rodriguez, Miguel, Jr.; Raman, Babu; Hettich, Robert L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Dykstra, Andrew B.; Cook, Kelsey D.] Univ Tennessee, Knoxville, TN 37996 USA. [St Brice, Lois; Izquierdo, Javier; Lyne, Lee R.] Dartmouth Coll, Hanover, NH 03755 USA. RP Hettich, RL (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM hettichrl@ornl.gov RI Hettich, Robert/N-1458-2016; OI Hettich, Robert/0000-0001-7708-786X; Izquierdo, Javier/0000-0002-5143-3450; Cook, Kelsey/0000-0003-2053-3309 FU U.S. DOE-BER, Bioenergy Research Program; NSF Independent Research and Development program FX Special thanks to Richard Giannone, Adriane Lochner, Paul Abraham, and Rachel Adams for technical advice. Thanks to Joel Kreps for his early involvement in this research. This research was sponsored by the U.S. DOE-BER, Bioenergy Research Program. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of Energy. Participation by K.D.C. while at the National Science Foundation was supported through the NSF Independent Research and Development program. NR 49 TC 4 Z9 4 U1 0 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2014 VL 13 IS 2 BP 692 EP 701 DI 10.1021/pr400788e PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AA5UC UT WOS:000331164100031 PM 24274857 ER PT J AU Shi, TJ Gao, YQ Quek, SI Fillmore, TL Nicora, CD Su, D Zhao, R Kagan, J Srivastava, S Rodland, KD Liu, T Smith, RD Chan, DW Camp, DG Liu, AY Qian, WJ AF Shi, Tujin Gao, Yuqian Quek, Sue Ing Fillmore, Thomas L. Nicora, Carrie D. Su, Dian Zhao, Rui Kagan, Jacob Srivastava, Sudhir Rodland, Karin D. Liu, Tao Smith, Richard D. Chan, Daniel W. Camp, David G., II Liu, Alvin Y. Qian, Wei-Jun TI A Highly Sensitive Targeted Mass Spectrometric Assay for Quantification of AGR2 Protein in Human Urine and Serum SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE AGR2; PSA; prostate cancer; PRISM-SRM; human urine; human serum ID ANTERIOR GRADIENT 2; PROSTATE-CANCER; IMMUNOAFFINITY DEPLETION; OVARIAN-CANCER; GENE AGR2; PROTEOMICS; PLASMA; ADENOCARCINOMA; EXPRESSION; DIAGNOSIS AB Anterior gradient 2 (AGR2) is a secreted, cancer-associated protein in many types of epithelial cancer cells. We developed a highly sensitive targeted mass spectrometric assay for quantification of AGR2 in urine and serum. Digested peptides from clinical samples were processed by PRISM (high pressure and high resolution separations coupled with intelligent selection and multiplexing), which incorporates high pH reversed-phase liquid chromatography (LC) separations to fractionate and select target fractions for follow-on LC-selected reaction monitoring (LC-SRM) analyses. The PRISM-SRM assay for AGR2 showed a reproducibility of <10% CV and limit of quantification (LOQ) values of similar to 130 pg/mL in serum and similar to 10 pg per 100 mu g of total protein mass in urine, respectively. A good correlation (R-2 = 0.91) was observed for the measurable AGR2 concentrations in urine between SRM and enzyme-linked immunosorbent assay (ELISA). On the basis of an initial cohort of 37 subjects, urinary AGR2/PSA concentration ratios showed a significant difference (P = 0.026) between noncancer and cancer. Large clinical cohort studies are needed for the validation of AGR2 as a useful diagnostic biomarker for prostate cancer. Our work validated the approach of identifying candidate secreted protein biomarkers through genomics and measurement by targeted proteomics, especially for proteins where no immunoassays are available. C1 [Shi, Tujin; Gao, Yuqian; Nicora, Carrie D.; Su, Dian; Rodland, Karin D.; Liu, Tao; Smith, Richard D.; Camp, David G., II; Qian, Wei-Jun] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Fillmore, Thomas L.; Zhao, Rui] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Quek, Sue Ing; Liu, Alvin Y.] Univ Washington, Dept Urol, Seattle, WA 98195 USA. [Quek, Sue Ing; Liu, Alvin Y.] Univ Washington, Inst Stem Cell & Regenerat Med, Seattle, WA 98195 USA. [Kagan, Jacob; Srivastava, Sudhir] NCI, Canc Prevent Div, Bethesda, MD 20892 USA. [Chan, Daniel W.] Johns Hopkins Univ, Dept Pathol, Baltimore, MD 21231 USA. RP Liu, AY (reprint author), Univ Washington, Dept Urol, Seattle, WA 98195 USA. EM aliu@u.washington.edu; weijun.qian@pnnl.gov RI Smith, Richard/J-3664-2012; Shi, Tujin/O-1789-2014 OI Smith, Richard/0000-0002-2381-2349; FU NIH Grant [U01CA111244]; NIH Director's New Innovator Award Program [DP2OD006668]; NCI Early Detection Research Network from the National Cancer Institute Clinical Proteomic Tumor Analysis Consortium (CPTAC) [Y01-CN-05013-29, U24-CA-16001901]; DOE [DE-AC05-76RL0 1830]; [P41GM103493] FX We thank Drs. Robin Leach and Ian Thompson at the University of Texas Health Science Center at San Antonio for providing some of the clinical urine samples. Portions of the research were supported by NIH Grant U01CA111244, NIH Director's New Innovator Award Program DP2OD006668, NCI Early Detection Research Network Interagency Agreement Y01-CN-05013-29, U24-CA-16001901 from the National Cancer Institute Clinical Proteomic Tumor Analysis Consortium (CPTAC), and P41GM103493. The experimental work described herein was performed in the Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, a national scientific user facility sponsored by the DOE under Contract DE-AC05-76RL0 1830. NR 37 TC 26 Z9 26 U1 2 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2014 VL 13 IS 2 BP 875 EP 882 DI 10.1021/pr400912c PG 8 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AA5UC UT WOS:000331164100047 PM 24251762 ER PT J AU Granholm, V Kim, S Navarro, JCF Sjolund, E Smith, RD Kall, L AF Granholm, Viktor Kim, Sangtae Navarro, Jose C. F. Sjolund, Erik Smith, Richard D. Kall, Lukas TI Fast and Accurate Database Searches with MS-GF plus Percolator SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE shotgun proteomics; bioinformatics; machine learning; confidence estimation ID TANDEM MASS-SPECTRA; PEPTIDE IDENTIFICATION; PROTEIN IDENTIFICATION; SHOTGUN PROTEOMICS; SPECTROMETRY DATA; DECOY DATABASES; PROBABILITIES; XTANDEM AB One can interpret fragmentation spectra stemming from peptides in mass-spectrometry-based proteomics experiments using so-called database search engines. Frequently, one also runs post-processors such as Percolator to assess the confidence, infer unique peptides, and increase the number of identifications. A recent search engine, MS-GF+, has shown promising results, due to a new and efficient scoring algorithm. However, MS-GF+ provides few statistical estimates about the peptide-spectrum matches, hence limiting the biological interpretation. Here, we enabled Percolator processing for MS-GF+ output and observed an increased number of identified peptides for a wide variety of data sets. In addition, Percolator directly reports p values and false discovery rate estimates, such as q values and posterior error probabilities, for peptide-spectrum matches, peptides, and proteins, functions that are useful for the whole proteomics community. C1 [Granholm, Viktor; Sjolund, Erik] Stockholm Univ, Dept Biochem & Biophys, Sci Life Lab, Solna, Sweden. [Kim, Sangtae; Smith, Richard D.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Navarro, Jose C. F.; Kall, Lukas] Royal Inst Technol KTH, Sch Biotechnol, Sci Life Lab, Solna, Sweden. [Kall, Lukas] Royal Inst Technol KTH, Swedish E Sci Res Ctr, Solna, Sweden. RP Kall, L (reprint author), Royal Inst Technol KTH, Sch Biotechnol, Sci Life Lab, Solna, Sweden. EM lukas.kall@scilifelab.se RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU Swedish Research Council; Swedish Foundation for Strategic Research; Lawski Foundation; National Institute of General Medical Sciences Proteomics Research Center [P41 GM 103493-10]; Department of Energy Office of Biological and Environmental Research Genome Sciences Program under the Pan-omics project; DOE [DE-AC05-76RLO01830] FX This work was supported by grants from the Swedish Research Council, the Swedish Foundation for Strategic Research, and the Lawski Foundation. S.K. and R.D.S. were supported by the National Institute of General Medical Sciences Proteomics Research Center (P41 GM 103493-10) and by the Department of Energy Office of Biological and Environmental Research Genome Sciences Program under the Pan-omics project. Work was partially performed in the Environmental Molecular Science Laboratory, a U.S. Department of Energy (DOE) national scientific user facility at Pacific Northwest National Laboratory (PNNL) in Richland, WA. Battelle operates PNNL for the DOE under contract DE-AC05-76RLO01830. NR 37 TC 15 Z9 15 U1 1 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2014 VL 13 IS 2 BP 890 EP 897 DI 10.1021/pr400937n PG 8 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AA5UC UT WOS:000331164100049 PM 24344789 ER PT J AU Eberhardt, K Greene, J Kindler, B Lommel, B Stolarz, A AF Eberhardt, K. Greene, J. Kindler, B. Lommel, B. Stolarz, A. TI Targets for accelerator-based research Proceedings of the 26th World Conference of the International Nuclear Target Development Society SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Editorial Material C1 [Eberhardt, K.] Johannes Gutenberg Univ Mainz, D-55128 Mainz, Germany. [Eberhardt, K.] Johannes Gutenberg Univ Mainz, Helmholtz Inst Mainz, D-55099 Mainz, Germany. [Greene, J.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Kindler, B.; Lommel, B.] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64296 Darmstadt, Germany. [Stolarz, A.] Univ Warsaw, Heavy Ion Lab, PL-02093 Warsaw, Poland. RP Eberhardt, K (reprint author), Johannes Gutenberg Univ Mainz, D-55128 Mainz, Germany. EM klaus.eberhardt@uni-mainz.de NR 0 TC 0 Z9 0 U1 3 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD FEB PY 2014 VL 299 IS 2 BP 909 EP 912 DI 10.1007/s10967-013-2777-3 PG 4 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8HP UT WOS:000332031300001 ER PT J AU Egle, BJ Hart, KJ Aaron, WS AF Egle, Brian J. Hart, Kevin J. Aaron, W. Scott TI Stable isotope enrichment capabilities at Oak Ridge National Laboratory SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article; Proceedings Paper CT 26th World Conference of the International-Nuclear-Target-Development-Society (INTDS) CY AUG 19-24, 2012 CL Mainz, GERMANY DE Electromagnetic isotope separation (EMIS); Isotope enrichment; Calutron; Isotopes AB The Oak Ridge National Laboratory (ORNL) and the US Department of Energy-Nuclear Physics Program have built a high-resolution electromagnetic isotope separator (EMIS) as a prototype for reestablishing a US-based enrichment capability for stable isotopes. ORNL has over 60 years of experience providing enriched stable isotopes and related technical services to the international accelerator target community, as well as medical, research, industrial, national security, and other communities. ORNL is investigating the combined use of electromagnetic and gas centrifuge isotope separation technologies to provide research quantities (milligram to several kilogram) of enriched stable isotopes. In preparation for implementing a larger scale production facility, a 10 mA high-resolution EMIS prototype has been built and tested. Initial testing of the device has simultaneously collected greater than 98 % enriched samples of all the molybdenum isotopes from natural abundance feedstock. C1 [Egle, Brian J.; Hart, Kevin J.; Aaron, W. Scott] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Egle, BJ (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM egleb@ornl.gov FU U.S. Department of Energy-Office of Nuclear Physics-Isotopes Program; American Recovery and Reinvestment Act; DOE Office of Nuclear Physics; U.S. Department of Energy [DE-AC05-00OR22725] FX This EMIS/GCIS work has been supported by the U.S. Department of Energy-Office of Nuclear Physics-Isotopes Program with funds made available by the American Recovery and Reinvestment Act. The materials and chemistry technical services are supported by the DOE Office of Nuclear Physics. This manuscript has been authored by UT-Battelle, LLC, under contract 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 the manuscript, or allow others to do so, for United States Government purposes. NR 12 TC 2 Z9 2 U1 7 U2 29 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD FEB PY 2014 VL 299 IS 2 BP 995 EP 999 DI 10.1007/s10967-013-2630-8 PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8HP UT WOS:000332031300014 ER PT J AU Kuboki, H Okuno, H Hershcovitch, A Dantsuka, T Hasebe, H Ikegami, K Imao, H Kamigaito, O Kase, M Maie, T Nakagawa, T Yano, Y AF Kuboki, H. Okuno, H. Hershcovitch, A. Dantsuka, T. Hasebe, H. Ikegami, K. Imao, H. Kamigaito, O. Kase, M. Maie, T. Nakagawa, T. Yano, Y. TI Development of Plasma Window for gas charge stripper at RIKEN RIBF SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article; Proceedings Paper CT 26th World Conference of the International-Nuclear-Target-Development-Society (INTDS) CY AUG 19-24, 2012 CL Mainz, GERMANY DE Plasma Window; Charge stripper; Gas stripper AB A differential pumping system with a Plasma Window (PW) has been developed for an application to a window-less He gas charge stripper. A PW with Southern Methodist University design was newly fabricated and tested off-line for evaluation of differential pumping efficiency. Switching gases for plasma seed from Ar to He was tested. It was found that the PW reduced the pressure at the first differential pumping section to 1/13 for Ar and to 1/17 for He, comparing with differential pumping without PW. At the second pumping section, the pressures were drastically reduced to 1/160 and to 1/4,520 for Ar and He, respectively. These pressure reduction factors indicate that one differentially pumped stage could be removed from a conventional differential pumping system. C1 [Kuboki, H.; Okuno, H.; Dantsuka, T.; Hasebe, H.; Ikegami, K.; Imao, H.; Kamigaito, O.; Kase, M.; Maie, T.; Nakagawa, T.; Yano, Y.] RIKEN Nishina Ctr Accelerator Based Sci, Wako, Saitama 3510198, Japan. [Hershcovitch, A.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Kuboki, H (reprint author), RIKEN Nishina Ctr Accelerator Based Sci, Hirosawa 2-1, Wako, Saitama 3510198, Japan. EM kuboki@riken.jp RI Kamigaito, Osamu/N-2367-2014; NAKAGAWA, Takahide/N-6378-2015 NR 10 TC 1 Z9 1 U1 1 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD FEB PY 2014 VL 299 IS 2 BP 1029 EP 1034 DI 10.1007/s10967-013-2634-4 PG 6 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8HP UT WOS:000332031300020 ER PT J AU Steski, DB Sukhanova, L Zelenski, A Christie, WB AF Steski, D. B. Sukhanova, L. Zelenski, A. Christie, W. B. TI Recent developments in the production of carbon micro-ribbons for CNI polarimeters at BNL SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article; Proceedings Paper CT 26th World Conference of the International-Nuclear-Target-Development-Society (INTDS) CY AUG 19-24, 2012 CL Mainz, GERMANY DE Annealing; Foil lifetime; Graphitization; Micro-ribbon targets ID IUCF COOLER RING; STRIPPER FOILS; TARGETS AB The Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory is the only collider in the world to collide polarized protons. In order to maximize the polarization of the proton beam in RHIC, it is critical that the polarization is measured during the acceleration process. This is accomplished with Coulomb nuclear interference (CNI) polarimeters in the Alternating Gradient Synchrotron (AGS) and RHIC. The targets for the CNI polarimeters are carbon micro-ribbons that are optimized in width for the detectors. The targets used in the AGS CNI polarimeter are 4 mu g/cm(2) thick (25-30 nm) and 50 mm long. The width of these targets is either 75, 125 or 250 mu m. The targets used in the RHIC CNI polarimeter are the same thickness but only 25 mm long and <10 mu m wide. As the beam intensity in RHIC has increased and the beam size has decreased, the lifetime of these targets has become a major issue. Efforts are underway to reduce the resistance of the targets in the hope that it will extend their lifetime. There have also been demands for unique target geometries. The technique to produce 5 mm wide targets and twisted carbon micro-ribbons is discussed. C1 [Steski, D. B.; Sukhanova, L.; Zelenski, A.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Christie, W. B.] SUNY Binghamton, Binghamton, NY 13902 USA. RP Steski, DB (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM steski@bnl.gov FU Brookhaven Science Associates, LLC [DE-AC02-98CH10886]; U.S. Department of Energy FX The authors would like to thank Rolf Beuttenmuller for his assistance in operating the laser to cut the 5 mm wide strip target. Work supported by Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy. NR 9 TC 0 Z9 0 U1 0 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD FEB PY 2014 VL 299 IS 2 BP 1035 EP 1039 DI 10.1007/s10967-013-2646-0 PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8HP UT WOS:000332031300021 ER PT J AU Runke, J Dullmann, CE Eberhardt, K Ellison, PA Gregorich, KE Hofmann, S Jager, E Kindler, B Kratz, JV Krier, J Lommel, B Mokry, C Nitsche, H Roberto, JB Rykaczewski, KP Schadel, M Thorle-Pospiech, P Trautmann, N Yakushev, A AF Runke, J. Duellmann, Ch. E. Eberhardt, K. Ellison, P. A. Gregorich, K. E. Hofmann, S. Jaeger, E. Kindler, B. Kratz, J. V. Krier, J. Lommel, B. Mokry, C. Nitsche, H. Roberto, J. B. Rykaczewski, K. P. Schaedel, M. Thoerle-Pospiech, P. Trautmann, N. Yakushev, A. TI Preparation of actinide targets for the synthesis of the heaviest elements SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article; Proceedings Paper CT 26th World Conference of the International-Nuclear-Target-Development-Society (INTDS) CY AUG 19-24, 2012 CL Mainz, GERMANY DE Electrodeposition; Molecular plating; Actinides; Targets; Berkelium; Californium ID TASCA AB The heaviest elements are synthesized in heavy-ion induced hot fusion reactions with various actinide targets. Because the actinide material is often available only in very limited amounts, a deposition method with high yields (similar to 90%) is needed. We report on the production of Pu-244, Am-243, Cm-248, Bk-249, and Cf-249 targets on thin Ti backings by molecular plating. Different chemical purification steps using ion chromatographic techniques were applied for the purification of Cf-249 and Pu-244. The deposition procedure applied for the production of similar to 0.4-0.8 mg/cm(2) thick targets is described. The deposition yield was determined either by alpha-particle or gamma-ray spectroscopy. Furthermore, neutron activation analysis has been applied in the case of Pu-244, Am-243, and Cm-248. Information about the spatial distribution and homogeneity of the target layer was obtained by radiographic imaging. C1 [Runke, J.; Duellmann, Ch. E.; Hofmann, S.; Jaeger, E.; Kindler, B.; Krier, J.; Lommel, B.; Schaedel, M.; Yakushev, A.] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany. [Duellmann, Ch. E.; Eberhardt, K.; Kratz, J. V.; Mokry, C.; Thoerle-Pospiech, P.; Trautmann, N.] Johannes Gutenberg Univ Mainz, D-55128 Mainz, Germany. [Duellmann, Ch. E.; Eberhardt, K.] Johannes Gutenberg Univ Mainz, Helmholtz Inst Mainz, D-55099 Mainz, Germany. [Ellison, P. A.; Gregorich, K. E.; Nitsche, H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ellison, P. A.; Nitsche, H.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Hofmann, S.] Goethe Univ Frankfurt, D-60438 Frankfurt, Germany. [Roberto, J. B.; Rykaczewski, K. P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Schaedel, M.] Japan Atom Energy Agcy, Tokai, Ibaraki 3191195, Japan. RP Runke, J (reprint author), GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany. EM runke@uni-mainz.de OI Roberto, James/0000-0002-4234-0252 NR 16 TC 16 Z9 16 U1 0 U2 22 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD FEB PY 2014 VL 299 IS 2 BP 1081 EP 1084 DI 10.1007/s10967-013-2616-6 PG 4 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8HP UT WOS:000332031300028 ER PT J AU Bennett, ME Alfonso, MC Greene, JP Folden, CM AF Bennett, Megan E. Alfonso, Marisa C. Greene, John P. Folden, Charles M., III TI Heavy element chemistry facilities at Texas A&M University SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article; Proceedings Paper CT 26th World Conference of the International-Nuclear-Target-Development-Society (INTDS) CY AUG 19-24, 2012 CL Mainz, GERMANY DE Transactinide homolog chemistry; Rotating target wheel; Mixed elemental targets; Momentum achromat recoil spectrometer; Recoil transfer chamber; Atom-at-a-time ID RADIOACTIVE BEAMS; TRANSACTINIDES; ER-158; SYSTEM; MARS AB A new program to study the chemistry of the homologs of the transactinide elements is under development, and is centered at the Texas A&M University Cyclotron Institute. New facilities have been designed and/or implemented to enable this research. These include equipment for the production of lanthanide and other targets, a rotating target wheel, an improved recoil transfer chamber, and a customized on-line radiochemical laboratory. Additional target development is being performed at Argonne National Laboratory. The new facilities and equipment are discussed. C1 [Bennett, Megan E.; Alfonso, Marisa C.; Folden, Charles M., III] Texas A&M Univ, Inst Cyclotron, College Stn, TX 77843 USA. [Alfonso, Marisa C.] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA. [Greene, John P.] Argonne Natl Lab, Div Phys, Target Lab, Argonne, IL 60439 USA. RP Greene, JP (reprint author), Argonne Natl Lab, Div Phys, Target Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM greene@anl.gov; Folden@comp.tamu.edu RI Folden, Charles/F-1033-2015 OI Folden, Charles/0000-0002-2814-3762 FU Welch Foundation [A-1710]; U.S. Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357] FX The authors would like to Mr. Stephen Molitor and Mr. William Seward in the design and fabrication of the RTC, and Mr. Fred Abegglen for help with the design of the radiochemical laboratory. The authors would like to thank the Welch Foundation for funding under grant number A-1710. This study was supported by the U.S. Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357. NR 22 TC 0 Z9 0 U1 0 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD FEB PY 2014 VL 299 IS 2 BP 1107 EP 1112 DI 10.1007/s10967-013-2676-7 PG 6 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8HP UT WOS:000332031300032 ER PT J AU Greene, JP Voss, PJ Starosta, K AF Greene, John P. Voss, Philip J. Starosta, Krzysztof TI Thick backed carbon targets via mechanical rolling SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article; Proceedings Paper CT 26th World Conference of the International-Nuclear-Target-Development-Society (INTDS) CY AUG 19-24, 2012 CL Mainz, GERMANY DE Sandwich targets; Target backings; Carbon; Rolling AB For targets requiring thick backing foils, the straight-forward and usual method is to deposit the target material directly on the backing by thermal evaporation. In some instances the reverse is more desirable, adding a backing to an already existing target foil, for example. A recent study involving measurement of the lifetime of the first 2(+) excited state in Ar-36 by the Doppler shift attenuation method required 0.5 mg/cm(2) natural carbon targets on thick (18 mg/cm(2)) gold and lead backings. Problems of delamination had arisen after beam irradiation using thick gold backings for these experiments. Carbon target foils were then prepared by mechanical rolling in direct contact with a thick lead backing using an intermediate layer of indium to assure good adhesion of the layers. Details of the method will be discussed. C1 [Greene, John P.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Voss, Philip J.; Starosta, Krzysztof] Simon Fraser Univ, Dept Chem, Burnaby, BC V5A 1S6, Canada. RP Greene, JP (reprint author), Argonne Natl Lab, Div Phys, 9700 S Cass Ave, Argonne, IL 60439 USA. EM greene@anl.gov FU U.S. Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357]; National Sciences and Engineering Research Council of Canada (NSERC) [SAPIN/371656-2010, SA-PEQ/390539-2010]; Simon Fraser University Office of the Vice President, Research FX The authors would like to thank Dr. Robert Janssens, the Physics Division Director for his continuing encouragement and support of these efforts. Also, acknowledgements are due to John Stoner of ACF Metals not only for his extensive knowledge base of carbon foils but also fruitful discussions regarding PCG foils. This work was supported by the U.S. Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357 and the National Sciences and Engineering Research Council of Canada (NSERC) awards SAPIN/371656-2010 and SA-PEQ/390539-2010 and the Simon Fraser University Office of the Vice President, Research. NR 14 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD FEB PY 2014 VL 299 IS 2 BP 1121 EP 1124 DI 10.1007/s10967-013-2673-x PG 4 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8HP UT WOS:000332031300034 ER PT J AU Greene, JP Pawlak, A Zhu, SF Garg, U AF Greene, John P. Pawlak, Alanna Zhu, Shaofei Garg, Umesh TI Preparation of isotopic antimony targets SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article; Proceedings Paper CT 26th World Conference of the International-Nuclear-Target-Development-Society (INTDS) CY AUG 19-24, 2012 CL Mainz, GERMANY DE Antimony; Thermal evaporation; Backings; Target thickness AB Thin self-supporting Sb-123 targets were needed for studies using GAMMASPHERE investigating transverse wobbling in the highly-deformed triaxial nucleus Pr-135. The experiment was carried out using the Sb-123(O-16,4n)Pr-135 reaction with the 80 MeV O-16 beam provided by the ATLAS accelerator facility. In particle-particle coincidence measurements Sb-121 targets were irradiated with a 332 MeV Si-28 beam from ATLAS to measure evaporation residues and fission. The antimony targets were prepared self-supporting by the method of physical vapor deposition onto polished glass substrates or on various backing materials. Target thicknesses on the order of 500-1,000 mu g/cm(2) were obtained and used for the experiments. Details of the target production and performance in beam will be discussed. C1 [Greene, John P.; Pawlak, Alanna; Zhu, Shaofei] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Garg, Umesh] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. RP Greene, JP (reprint author), Argonne Natl Lab, Div Phys, 9700 S Cass Ave, Argonne, IL 60439 USA. EM greene@anl.gov FU U.S. Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357] FX The authors would like to thank Dr. Robert Janssens, the Physics Division Director, for his continuing encouragement and support of these efforts. This work was supported by the U.S. Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357. NR 16 TC 1 Z9 1 U1 0 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD FEB PY 2014 VL 299 IS 2 BP 1125 EP 1128 DI 10.1007/s10967-013-2675-8 PG 4 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8HP UT WOS:000332031300035 ER PT J AU Motoya, K Moyoshi, T Matsuda, M AF Motoya, Kiyoichiro Moyoshi, Taketo Matsuda, Masaaki TI Long-Time Variation in Magnetic Structure of Ce0.98La0.02Ir3Si2: Effect of Randomness on Time Variation SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article AB A long-time variation in the magnetic structure of Ce0.98La0.02Ir3Si2 has been studied by magnetization and timeresolved neutron scattering measurements. CeIr3Si2 is the first material in which the long-time variation in magnetic structure was observed in three-dimensional uniform magnets. Similar long-time variations in magnetic structure have been observed in several uniform materials. In order to clarify whether the long-time variations in the magnetic structure of these materials do not originate from randomness due to unexpected impurities or imperfections, the time variation behavior in a material with embedded randomness has been examined. The time variations observed in the magnetization and neutron scattering measurements of Ce0.98La0.02Ir3Si2 are basically the same as those observed in CeIr3Si2. Present results have shown that a peculiar long-time variation in the magnetic structure of CeIr3Si2 is not caused by inevitable randomness in a sample but is its intrinsic property. C1 [Motoya, Kiyoichiro; Moyoshi, Taketo] Tokyo Univ Sci, Fac Sci & Technol, Dept Phys, Noda, Chiba 2788510, Japan. [Matsuda, Masaaki] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RP Motoya, K (reprint author), Tokyo Univ Sci, Fac Sci & Technol, Dept Phys, Noda, Chiba 2788510, Japan. EM motoya@ph.noda.tus.ac.jp RI Matsuda, Masaaki/A-6902-2016 OI Matsuda, Masaaki/0000-0003-2209-9526 FU Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; Ministry of Education, Culture, Sports, Science and Technology [24540351]; US-Japan Cooperative Program on Neutron Scattering FX We thank Professor Takemi Komatsubara for his advice on the single-crystal growth. The neutron scattering experiment was supported by the US-Japan Cooperative Program on Neutron Scattering. Research conducted at ORNL's High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. This work is partly supported by a Grant-in-Aid for Scientific Research from the Ministry of Education, Culture, Sports, Science and Technology (No. 24540351). NR 9 TC 2 Z9 2 U1 0 U2 2 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD FEB PY 2014 VL 83 IS 2 AR 024708 DI 10.7566/JPSJ.83.024708 PG 6 WC Physics, Multidisciplinary SC Physics GA AA6RS UT WOS:000331226300031 ER PT J AU Yano, S Louca, D Chi, SX Matsuda, M Qiu, YM Copley, JRD Cheong, SW AF Yano, Shin-ichiro Louca, Despina Chi, Songxue Matsuda, Masaaki Qiu, Yiming Copley, John R. D. Cheong, Sang-Wook TI Intertwining of Frustration with Magneto-Elastic Coupling in the Multiferroic LuMnO3 SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article ID MAGNETS; RMNO3; DIFFRACTION; YB; HO; TM; ER; LU AB Residual magnetic frustration in the multiferroic LuMnO3 may be key towards understanding magneto-elastic coupling in hexagonal manganites. Critical magnetic scattering present well above the magnetic ordering temperature T-N persists below, as observed by inelastic neutron scattering. The magnetic fluctuations are confined in two dimensions implied by the characteristic wavevector dependence of the magnetic structure factor that changes from symmetric to asymmetric across T-N. The low dimensionality of the magnetic structure is also evident in the temperature dependence of the commensurate antiferromagnetic intensity which follows a mean field exponent of beta similar to 0.2. C1 [Yano, Shin-ichiro; Louca, Despina] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Chi, Songxue; Matsuda, Masaaki] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Qiu, Yiming; Copley, John R. D.] NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Qiu, Yiming; Copley, John R. D.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Cheong, Sang-Wook] Rutgers State Univ, Rutgers Ctr Emergent Mat, Piscataway, NJ 08854 USA. [Cheong, Sang-Wook] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. RP Yano, S (reprint author), Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. EM sy3a@virginia.edu RI Chi, Songxue/A-6713-2013; Matsuda, Masaaki/A-6902-2016 OI Chi, Songxue/0000-0002-3851-9153; Matsuda, Masaaki/0000-0003-2209-9526 FU U.S. Department of Energy at the University of Virginia [DE-FG02-01ER45927]; U.S. Department of Energy at Rutgers [DE-FG02-07ER46382]; National Science Foundation [DMR-0944772]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The authors would like to acknowledge A. Athauda and B. Li for their help with the experiment and S.-H. Lee for valuable discussions. This work is supported by the U.S. Department of Energy under contracts DE-FG02-01ER45927 at the University of Virginia and by DE-FG02-07ER46382 at Rutgers. The NCNR DCS is supported by the National Science Foundation under contract DMR-0944772. The research at the High Flux Isotope Reactor at ORNL was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 23 TC 0 Z9 0 U1 2 U2 27 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD FEB PY 2014 VL 83 IS 2 AR 024601 DI 10.7566/JPSJ.83.024601 PG 4 WC Physics, Multidisciplinary SC Physics GA AA6RS UT WOS:000331226300020 ER PT J AU Caballero, FG Yen, HW Miller, MK Cornide, J Chang, HT Garcia-Mateo, C Yang, JR AF Caballero, F. G. Yen, Hung-Wei Miller, M. K. Cornide, J. Chang, Hsiao-Tzu Garcia-Mateo, C. Yang, Jer-Ren TI Three phase crystallography and solute distribution analysis during residual austenite decomposition in tempered nanocrystalline bainitic steels SO MATERIALS CHARACTERIZATION LA English DT Article DE Steels; Bainite; Precipitation; Atom probe tomography (APT) ID COMPOSITION PROPERTY APPROACH; ATOM-PROBE TOMOGRAPHY; LOW-CARBON STEELS; LOW-ALLOY STEEL; INTERPHASE PRECIPITATION; WIDMANSTATTEN CEMENTITE; NANOSTRUCTURED BAINITE; CARBIDE PRECIPITATION; THERMAL-STABILITY; SILICON STEELS AB Interphase carbide precipitation due to austenite decomposition was investigated by high resolution transmission electron microscopy and atom probe tomography in tempered nanostructured bainitic steels. Results showed that cementite (theta) forms by a paraequilibrium transformation mechanism at the bainitic ferrite-austenite interface with a simultaneous three phase crystallographic orientation relationship. (C) 2013 Elsevier Inc. All rights reserved. C1 [Caballero, F. G.; Cornide, J.; Garcia-Mateo, C.] CENIM CSIC, Ctr Nacl Invest Met, E-28040 Madrid, Spain. [Yen, Hung-Wei; Chang, Hsiao-Tzu; Yang, Jer-Ren] Natl Taiwan Univ, Dept Mat Sci & Engn, Taipei 10617, Taiwan. [Yen, Hung-Wei] Univ Sydney, Australian Ctr Microscopy & Microanal, Sydney, NSW 2006, Australia. [Miller, M. K.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Caballero, FG (reprint author), CENIM CSIC, Ctr Nacl Invest Met, Avda Gregorio Amo 8, E-28040 Madrid, Spain. RI CABALLERO, FRANCISCA/A-4292-2008; Garcia-Mateo, Carlos/A-7752-2008; OI Garcia-Mateo, Carlos/0000-0002-4773-5077; Caballero, Francisca/0000-0002-5548-7659 FU ORNL's Shared Research Equipment (ShaRE) User Facility; Office of Basic Energy Sciences, Scientific User Facilities Division, U.S. Department of Energy; Spanish Ministry of Science and Innovation [MAT2010-15330] FX Research was supported by ORNL's Shared Research Equipment (ShaRE) User Facility, which is sponsored by the Office of Basic Energy Sciences, Scientific User Facilities Division, U.S. Department of Energy. The authors also gratefully acknowledge the support of the Spanish Ministry of Science and Innovation for funding this research under the contract MAT2010-15330, respectively. NR 50 TC 4 Z9 4 U1 3 U2 36 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-5803 EI 1873-4189 J9 MATER CHARACT JI Mater. Charact. PD FEB PY 2014 VL 88 BP 15 EP 20 DI 10.1016/j.matchar.2013.11.013 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Materials Science, Characterization & Testing SC Materials Science; Metallurgy & Metallurgical Engineering GA AA9KU UT WOS:000331413200003 ER PT J AU Liao, HG Shao, YY Wang, CM Lin, YH Jiang, YX Sun, SG AF Liao, Hong-Gang Shao, Yuyan Wang, Chongmin Lin, Yuehe Jiang, Yan-Xia Sun, Shi-Gang TI TEM study of fivefold twined gold nanocrystal formation mechanism SO MATERIALS LETTERS LA English DT Article DE TEM; Nanocrystal; Growth mechanism; Gold ID SEED-MEDIATED SYNTHESIS; TRANSMISSION-ELECTRON-MICROSCOPY; MULTIPLY-TWINNED PARTICLES; IONIC LIQUIDS; GROWTH; NANORODS; METALS; ORIENTATION; NANOWIRES; CLUSTERS AB Nanocrystals play a key role in modern science and technology, and there has been much effort in recent years in tailoring the size, shape, and properties of nanocrystals. The capability to monitor the colloidal nanocrystal growth in liquid is essential for fully understanding the growth and shape control mechanisms. In current study, we imaged nanocrystals in a eutectic-based ionic liquid and studied the growth of five-fold twined gold nanocrystal with in situ transmission electron microscopy (TEM). Our studies suggest that the coalescence-based growth may be also an important mechanism for the formation of twinned nanocrystals in solution in addition to nucleation-based layer-by-layer growth and successive growth twinning mechanisms. This observation reveals much important information about colloidal nanocrystal growth, and is very beneficial in a detailed understanding of growth mechanisms and precise shape controlling synthesis of nanoparticles. (C) 2013 Elsevier B.V. All rights reserved. C1 [Liao, Hong-Gang; Jiang, Yan-Xia; Sun, Shi-Gang] Xiamen Univ, Coll Chem & Chem Engn, Dept Chem, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China. [Liao, Hong-Gang; Shao, Yuyan; Wang, Chongmin; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Sun, SG (reprint author), Xiamen Univ, Coll Chem & Chem Engn, Dept Chem, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China. EM sgsun@xmu.edu.cn RI Shao, Yuyan/A-9911-2008; Sun, S.G./G-3408-2010; Lin, Yuehe/D-9762-2011; Liao, hong-gang/M-2476-2015 OI Shao, Yuyan/0000-0001-5735-2670; Lin, Yuehe/0000-0003-3791-7587; FU National Natural Science Foundation of China [20833005, 20873116]; Laboratory Directed Research and Development program at Pacific Northwest National Laboratory (PNNL) FX This work is partially supported by the National Natural Science Foundation of China (Nos. 20833005 and 20873116) and partially by a Laboratory Directed Research and Development program at Pacific Northwest National Laboratory (PNNL). NR 29 TC 8 Z9 8 U1 7 U2 76 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-577X EI 1873-4979 J9 MATER LETT JI Mater. Lett. PD FEB 1 PY 2014 VL 116 BP 299 EP 303 DI 10.1016/j.matlet.2013.11.050 PG 5 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AA3WI UT WOS:000331025500082 ER PT J AU Clavero, C AF Clavero, Cesar TI Plasmon-induced hot-electron generation at nanoparticle/metal-oxide interfaces for photovoltaic and photocatalytic devices SO NATURE PHOTONICS LA English DT Review ID INDUCED CHARGE SEPARATION; VISIBLE-LIGHT; TIO2 FILMS; GOLD NANOPARTICLES; SILVER NANOPARTICLES; SURFACE-PLASMONS; SOLAR-CELL; PHOTOELECTROCHEMICAL PROPERTIES; PHOTOCURRENT GENERATION; METAL NANOPARTICLES AB Finding higher efficiency schemes for electron-hole separation is of paramount importance for realizing more efficient conversion of solar energy in photovoltaic and photocatalytic devices. Plasmonic energy conversion has been proposed as a promising alternative to conventional electron-hole separation in semiconductor devices. This emerging method is based on the generation of hot electrons in plasmonic nanostructures through electromagnetic decay of surface plasmons. Here, the fundamentals of hot-electron generation, injection and regeneration are reviewed, with special attention paid to recent progress towards photovoltaic devices. This new energy-conversion method potentially offers high conversion efficiencies, while keeping fabrication costs low. However, several considerations regarding the materials, architectures and fabrication methods used need to be carefully evaluated to advance this field. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Plasma Applicat Grp, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Clavero, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Plasma Applicat Grp, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM cclavero@lbl.gov RI Clavero, Cesar/C-4391-2008 OI Clavero, Cesar/0000-0001-6665-3141 FU Assistant Secretary for Energy Efficiency and Renewable Energy; Office of Building Technology, of the US Department of Energy [DE-AC02-05CH11231] FX The author thanks A. Anders and R. Mendelsberg for insightful discussions. This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy; Office of Building Technology, of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 105 TC 428 Z9 429 U1 100 U2 780 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1749-4885 EI 1749-4893 J9 NAT PHOTONICS JI Nat. Photonics PD FEB PY 2014 VL 8 IS 2 BP 95 EP 103 DI 10.1038/NPHOTON.2013.238 PG 9 WC Optics; Physics, Applied SC Optics; Physics GA AA5TL UT WOS:000331162400010 ER PT J AU Sharma, YD Jun, YC Kim, JO Brener, I Krishna, S AF Sharma, Yagya D. Jun, Young Chul Kim, Jun Oh Brener, Igal Krishna, Sanjay TI Polarization-dependent photocurrent enhancement, Cross Mark in metamaterial-coupled quantum dots-in-a-well infrared detectors SO OPTICS COMMUNICATIONS LA English DT Article DE Metamaterial; Plasmonic field enhancement; Infrared photodetectors ID PHOTODETECTORS; ANTENNA; LIGHT AB We demonstrate polarization-dependent photo-response enhancement in metamaterial-coupled quantum dots in a well infrared detectors. A gold split-ring resonator metamaterial layer was patterned by electronbeam lithography in the detector aperture. In this integrated structure, the detector spectral response is given by the convolution of the metamaterial Field enhancement and the original detector response. Our polarization-resolved measurement unambiguously shows that the spectral response can be strongly modified by metamaterial patterning. When the metamaterial resonance matches the QD absorption peak, we obtain a clear enhancement of generated photocurrent Various metamaterial designs can be employed to implement multi-functional detector structures. (c) 2013 The Authors. Published by Elsevier B.V. All rights reserved. C1 [Sharma, Yagya D.; Kim, Jun Oh; Krishna, Sanjay] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87106 USA. [Jun, Young Chul; Brener, Igal] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Jun, Young Chul; Brener, Igal] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Jun, Young Chul] Inha Univ, Dept Phys, Inchon 402751, South Korea. RP Jun, YC (reprint author), Inha Univ, Dept Phys, Inchon 402751, South Korea. EM youngchul.jun@inha.ac.kr RI Jun, Young Chul/I-2274-2013 OI Jun, Young Chul/0000-0002-7578-8811 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; KKISS-UNM Global Research Laboratory Program [2007-00011]; MSIP (Ministry of Science, ICT&Future Planning), Korea, under the ITRC (Information Technology Research Center) support program [NIPA-2013-H0301-13-1010] FX This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. 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. Support from the KKISS-UNM Global Research Laboratory Program (No. 2007-00011) is acknowledged. YCJ acknowledges the support from the MSIP (Ministry of Science, ICT&Future Planning), Korea, under the ITRC (Information Technology Research Center) support program (NIPA-2013-H0301-13-1010) supervised by the NIPA (National IT Industry Promotion Agency). NR 15 TC 5 Z9 5 U1 2 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0030-4018 EI 1873-0310 J9 OPT COMMUN JI Opt. Commun. PD FEB 1 PY 2014 VL 312 BP 31 EP 34 DI 10.1016/j.optcom.2013.09.010 PG 4 WC Optics SC Optics GA AB0AV UT WOS:000331455100006 ER PT J AU Lu, L Anderson-Cook, CM AF Lu, Lu Anderson-Cook, Christine M. TI Balancing Multiple Criteria Incorporating Cost using Pareto Front Optimization for Split-Plot Designed Experiments SO QUALITY AND RELIABILITY ENGINEERING INTERNATIONAL LA English DT Article ID MODEL C1 [Lu, Lu; Anderson-Cook, Christine M.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. EM icyemma@gmail.com NR 28 TC 6 Z9 6 U1 0 U2 2 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0748-8017 EI 1099-1638 J9 QUAL RELIAB ENG INT JI Qual. Reliab. Eng. Int. PD FEB PY 2014 VL 30 IS 1 BP 37 EP 55 PG 19 WC Engineering, Multidisciplinary; Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA AA6DH UT WOS:000331188500005 ER PT J AU Nesterov, AI Berman, GP Zepeda, JCB Bishop, AR AF Nesterov, Alexander I. Berman, Gennady P. Zepeda, Juan C. Beas Bishop, Alan R. TI Non-Hermitian quantum annealing in the antiferromagnetic Ising chain SO QUANTUM INFORMATION PROCESSING LA English DT Article DE Critical points; Ground states; Quantum theory; Adiabatic quantum computation; Quantum annealing ID SPIN-CORRELATION FUNCTIONS; STATISTICAL MECHANICS; MODEL; EVOLUTION AB A non-Hermitian quantum optimization algorithm is created and used to find the ground state of an antiferromagnetic Ising chain. We demonstrate analytically and numerically (for up to N = 1,024 spins) that our approach leads to a significant reduction in the annealing time that is proportional to , which is much less than the time (proportional to N-2) required for the quantum annealing based on the corresponding Hermitian algorithm. We propose to use this approach to achieve similar speed-up for NP-complete problems by using classical computers in combination with quantum algorithms. C1 [Nesterov, Alexander I.; Zepeda, Juan C. Beas] Univ Guadalajara, CUCEI, Dept Fis, Guadalajara 44420, Jalisco, Mexico. [Berman, Gennady P.; Bishop, Alan R.] Los Alamos Natl Lab, Div Theoret, STE, Los Alamos, NM 87544 USA. RP Nesterov, AI (reprint author), Univ Guadalajara, CUCEI, Dept Fis, Av Revoluc 1500, Guadalajara 44420, Jalisco, Mexico. EM nesterov@cencar.udg.mx; gpb@lanl.gov; juancarlosbeas@gmail.com; arb@lanl.gov OI Nesterov, Alexander/0000-0002-4801-4570 FU National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; CONACyT [15439, 171014] FX The work by G.P.B. and A.R.B. 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. A.I.N. acknowledges the support from the CONACyT, Grant No. 15439. J.C.B.Z. acknowledges the support from the CONACyT, Grant No. 171014. NR 33 TC 3 Z9 3 U1 2 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1570-0755 EI 1573-1332 J9 QUANTUM INF PROCESS JI Quantum Inf. Process. PD FEB PY 2014 VL 13 IS 2 BP 371 EP 389 DI 10.1007/s11128-013-0656-z PG 19 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA AA0ZR UT WOS:000330826400015 ER PT J AU Dunham, MT Iverson, BD AF Dunham, Marc T. Iverson, Brian D. TI High-efficiency thermodynamic power cycles for concentrated solar power systems SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS LA English DT Review DE CSP; High-efficiency thermodynamic cycles; Solar thermal; Solar thermodynamics; Brayton; Rankine; CO2 recompression ID DIOXIDE BRAYTON CYCLE; THERMAL POWER; HIGH-TEMPERATURE; GAS-TURBINE; WORKING FLUIDS; WASTE HEAT; PLANT; RECEIVER; ENERGY; PERFORMANCE AB This paper provides a review of high-efficiency thermodynamic cycles and their applicability to concentrating solar power systems, primarily focusing on high-efficiency single and combined cycles. Novel approaches to power generation proposed in the literature are also highlighted. The review is followed by analyses of promising candidates, including regenerated He-Brayton, regenerated CO2-Brayton, CO2 recompression Brayton, steam Rankine, and CO2-ORC combined cycle. Steam Rankine is shown to offer higher thermal efficiencies at temperatures up to about 600 degrees C but requires a change in materials for components above this temperature. Above this temperature, CO2 recompression Brayton cycles are shown to have very high thermal efficiency, potentially even exceeding 60% at 30 MPa maximum pressure and above 1000 degrees C maximum temperature with wet cooling. An estimate of a combined receiver and power cycle operating temperature is provided for the cycles considered and compared to the traditional approach of optimization based on the Carnot efficiency. It is shown that the traditional approach to optimizing the receiver and turbine inlet temperatures based on Carnot is generally not sufficient, leading to an optimum temperature shift of more than 100 degrees C from the Carnot case under various conditions. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Dunham, Marc T.; Iverson, Brian D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Iverson, Brian D.] Brigham Young Univ, Provo, UT 84602 USA. RP Iverson, BD (reprint author), Brigham Young Univ, Provo, UT 84602 USA. EM bdiverson@byu.edu 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. Many thanks are given to Jim Pacheco for his comments and suggestions during the preparation of this manuscript. NR 65 TC 23 Z9 23 U1 4 U2 48 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-0321 J9 RENEW SUST ENERG REV JI Renew. Sust. Energ. Rev. PD FEB PY 2014 VL 30 BP 758 EP 770 DI 10.1016/j.rser.2013.11.010 PG 13 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA AA9OC UT WOS:000331421800059 ER PT J AU Darwis, D Holmes, N Elkington, D Kilcoyne, ALD Bryant, G Zhou, XJ Dastoor, P Belcher, W AF Darwis, Darmawati Holmes, Natalie Elkington, Daniel Kilcoyne, A. L. David Bryant, Glenn Zhou, Xiaojing Dastoor, Paul Belcher, Warwick TI Surfactant-free nanoparticulate organic photovoltaics SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE Organic solar cells; Nanoparticles; Solar paint; Morphology; Water-based ID COMPOSITE P3HT/PCBM NANOPARTICLES; SOLAR-CELLS; PHASE-SEPARATION; POLY(3-HEXYLTHIOPHENE); POLYMER; MORPHOLOGY; DEVICES; BLEND; FILMS AB Two types of semiconducting nanoparticulate suspensions of 1:1 poly-3-hexylthiophene: 1-(methoxycarbonylpropyl)-1-phenyl-[6,6]C61 have been prepared using (i) a surfactant-containing mini-emulsion process with sodium dodecyl sulphate as the surfactant, and (ii) a surfactant-free precipitation method respectively. The nanoparticle dispersions, nanoparticle thin films and nanoparticulate organic photovoltaic (NP-OPV) devices have been characterised using a combination of spectroscopic and microscopic techniques. The miniemulsion process produces nanoparticles with a core-shell morphology consisting of a P3HT-rich shell and PCBM-rich core. Upon annealing gross phase segregation of nanoparticulate thin films occurs and NP-OPV device performance falls accordingly as charge separation in the device is inhibited. By contrast the precipitation method produces fully blended nanoparticles with the device parameters for unannealed NP-OPV devices of both materials appearing very similar. Annealing of the nanoparticulate thin films prepared by the precipitation method does not lead to gross phase segregation serving rather to join the nanoparticles together. Instead a blended composition and morphology is observed and the corresponding NP-OPV devices improve dramatically upon thermal treatment. (C) 2013 Elsevier B.V. All rights reserved. C1 [Darwis, Darmawati; Holmes, Natalie; Elkington, Daniel; Bryant, Glenn; Zhou, Xiaojing; Dastoor, Paul; Belcher, Warwick] Univ Newcastle, Ctr Organ Elect, Callaghan, NSW 2308, Australia. [Darwis, Darmawati] Tadulako Univ, Dept Phys, Palu 94118, Indonesia. [Kilcoyne, A. L. David] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Belcher, W (reprint author), Univ Newcastle, Ctr Organ Elect, Callaghan, NSW 2308, Australia. EM warwick.belcher@newcastle.edu.au RI Kilcoyne, David/I-1465-2013 FU Directorate General of Higher Education Indonesia (DIKTI) scholarship; University of Newcastle; Australian Solar Institute FX Special thanks to the University of Newcastle Electron Microscopy and X-ray Unit. This research was supported by a Directorate General of Higher Education Indonesia (DIKTI) scholarship (DD). The University of Newcastle is gratefully acknowledged for Ph.D. scholarships (NH and DE). The Australian Solar Institute is gratefully acknowledged for a Ph.D. scholarship for NH. This work was performed in part at the Materials node of the Australian National Fabrication Facility, a company established under the National Collaborative Research Infrastructure Strategy to provide nanp and microfabrication facilities for Australia's researchers. NR 21 TC 9 Z9 9 U1 2 U2 48 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 EI 1879-3398 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD FEB PY 2014 VL 121 BP 99 EP 107 DI 10.1016/j.solmat.2013.10.010 PG 9 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AB0JP UT WOS:000331478300016 ER PT J AU Li, CP Lin, F Richards, RM Engtrakul, C Tenent, RC Wolden, CA AF Li, Chi-Ping Lin, Feng Richards, Ryan M. Engtrakul, Chaiwat Tenent, Robert C. Wolden, Colin A. TI The influence of sol-gel processing on the electrochromic properties of mesoporous WO3 films produced by ultrasonic spray deposition SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE Tungsten oxide; Electrochromic; Sol-gel; Ultrasonic spray deposition; Durability; Mesoporous ID TUNGSTEN-OXIDE FILMS; THIN-FILMS; COATINGS; NANOPARTICLES; PERFORMANCE; DURABILITY; DEVICES AB High performance mesoporous tungsten oxide films were deposited by ultrasonic spray deposition using templated sol-gel chemistry. The dynamics of both sol preparation and hydrolysis were investigated by UV-vis spectroscopy. A stable sol was formed after 12 h, while optimum electrochromic performance was obtained for 12 h of hydrolysis. Electrochromic performance is strongly correlated to the annealing conditions, with optimized films displaying coloration efficiency > 50 cm(2)/C and switching times < 10 s. FTIR spectroscopy revealed that WO3 produced under optimized conditions were free of hydroxyl and carbonate impurities. Performance scaled with the specific surface area and nanoscale morphology. The WO3 films display good long term cycling durability up to 2500 cycles, which was attributed to the high degree of film crystallinity. (C) 2013 Elsevier B.V. All rights reserved. C1 [Li, Chi-Ping; Lin, Feng; Richards, Ryan M.; Wolden, Colin A.] Colorado Sch Mines, Mat Sci Program, Golden, CO 80401 USA. [Li, Chi-Ping; Lin, Feng; Engtrakul, Chaiwat; Tenent, Robert C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Wolden, CA (reprint author), Colorado Sch Mines, Mat Sci Program, 1613 Illinois St, Golden, CO 80401 USA. EM cwolden@mines.edu RI Richards, Ryan/B-3513-2008 FU National Science Foundation [DMR-0820518]; Department of Energy [DE-AC36-08GO28308] FX This research was founded by National Science Foundation through award DMR-0820518 and the Department of Energy under subcontract DE-AC36-08GO28308. We also thank Dr. Rachel Morrish for the assistance of Raman spectroscopy. NR 32 TC 13 Z9 14 U1 1 U2 69 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 EI 1879-3398 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD FEB PY 2014 VL 121 BP 163 EP 170 DI 10.1016/j.solmat.2013.11.002 PG 8 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AB0JP UT WOS:000331478300025 ER PT J AU Anderson-Cook, CM Hamada, MS AF Anderson-Cook, Christine M. Hamada, Michael S. TI Comment: Toward Guidelines for Practitioners on Screening Designs and Analysis SO TECHNOMETRICS LA English DT Editorial Material C1 [Anderson-Cook, Christine M.; Hamada, Michael S.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, POB 1663, Los Alamos, NM 87545 USA. EM candcook@lanl.gov; hamada@lanl.gov NR 3 TC 0 Z9 0 U1 0 U2 1 PU AMER STATISTICAL ASSOC PI ALEXANDRIA PA 732 N WASHINGTON ST, ALEXANDRIA, VA 22314-1943 USA SN 0040-1706 EI 1537-2723 J9 TECHNOMETRICS JI Technometrics PD FEB PY 2014 VL 56 IS 1 BP 16 EP 19 DI 10.1080/00401706.2013.822831 PG 5 WC Statistics & Probability SC Mathematics GA AB2WY UT WOS:000331654000002 ER PT J AU Meyer, TR Ziegler, D Brune, C Chen, A Farnham, R Huynh, N Chang, JM Bertozzi, AL Ashby, PD AF Meyer, Travis R. Ziegler, Dominik Brune, Christoph Chen, Alex Farnham, Rodrigo Nen Huynh Chang, Jen-Mei Bertozzi, Andrea L. Ashby, Paul D. TI Height drift correction in non-raster atomic force microscopy SO ULTRAMICROSCOPY LA English DT Article DE Atomic force microscopy; Self-intersecting scan; Drift correction; Non-raster scan ID SCANNING PROBE MICROSCOPY; COMPENSATION AB We propose a novel method to detect and correct drift in non-raster scanning probe microscopy. In conventional raster scanning drift is usually corrected by subtracting a fitted polynomial from each scan line, but sample tilt or large topographic features can result in severe artifacts. Our method uses self intersecting scan paths to distinguish drift from topographic features. Observing the height differences when passing the same position at different Limes enables the reconstruction of a continuous function of drift. We show that a small number of self intersections is adequate for automatic and reliable drift correction. Additionally, we introduce a fitness function which provides a quantitative measure of drift correctability for any arbitrary scan shape. (C) 2013 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/license/by-nc-nd/3.0/). C1 [Meyer, Travis R.; Bertozzi, Andrea L.] Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90095 USA. [Ziegler, Dominik; Ashby, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Brune, Christoph] Univ Munster, Inst Computat & Appl Math, Munster, Germany. [Chen, Alex] Stat & Appl Math Sci Inst, Res Triangle Pk, NC 27709 USA. [Farnham, Rodrigo; Nen Huynh; Chang, Jen-Mei] Calif State Univ Long Beach, Dept Math & Stat, Long Beach, CA 90840 USA. RP Ashby, PD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM bertozzi@math.ucla.edu; pdashby@lbl.gov RI Bertozzi, Andrea/A-1831-2012; Foundry, Molecular/G-9968-2014; Brune, Christoph/C-1700-2013 OI Bertozzi, Andrea/0000-0003-0396-7391; Brune, Christoph/0000-0003-0145-5069 FU NSF [CBET-0940417, DMS-1045536]; UC Lab [12-LR-236660]; W.M. Keck Foundation; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX This research is partially supported by NSF Grants CBET-0940417 and DMS-1045536, UC Lab Fees Research Grant 12-LR-236660, and the W.M. Keck Foundation. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract no. DE-AC02-05CH11231. NR 21 TC 4 Z9 4 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 EI 1879-2723 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD FEB PY 2014 VL 137 BP 48 EP 54 DI 10.1016/j.ultramic.2013.10.014 PG 7 WC Microscopy SC Microscopy GA AA4UP UT WOS:000331092200007 PM 24295799 ER PT J AU Saxena, S Shah, N Bedoya, I Phadke, A AF Saxena, Samveg Shah, Nihar Bedoya, Ivan Phadke, Arnol TI Understanding optimal engine operating strategies for gasoline-fueled HCCI engines using crank-angle resolved exergy analysis SO APPLIED ENERGY LA English DT Article DE Exergy; HCCI; Gasoline; Second law; Loss mechanisms; Engines ID COMBUSTION AB This study couples a crank-angle resolved exergy analysis methodology with a multi-zone chemical kinetic model of a gasoline-fueled HCCI engine to quantify exergy loss mechanisms and understand how the losses change with different HCCI engine operating conditions. The in-cylinder exergy loss mechanisms are identified as losses to combustion, heat loss, unburned species, and physical exergy lost to exhaust gases. These loss mechanisms and their effect on overall operating efficiency are studied over a range of engine intake pressures, equivalence ratios, engine speeds and for different engine sizes. Prior studies have demonstrated that optimal efficiency is achieved in HCCI engines at intermediate combustion timings, with this optimal combustion timing being later for higher load conditions. This exergy analysis study provides a quantitative explanation for this experimental observation by demonstrating that exergy losses to heat loss decrease with delayed combustion timing, and exergy losses to unburned species increase sharply at later combustion timings. The optimal exergy efficiency combustion timing typically occurs at the combustion timing when unburned species losses surpass heat losses, and with higher load conditions these unburned species losses take effect at later combustion timings. The insights from this study also provide guidance towards an optimal efficiency operating strategy to control load in an HCCI engine. From the perspective of in-cylinder exergy losses, the results suggest that equivalence ratio should be maintained at relatively high values across most operating conditions while intake pressure is used to vary engine load. Only at lower load conditions should equivalence ratio begin to be changed for load control, and combustion timing should always be maintained at a value just earlier than the sharp increase of unburned species losses. Published by Elsevier Ltd. C1 [Saxena, Samveg; Shah, Nihar; Phadke, Arnol] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Bedoya, Ivan] Univ Antioquia, Dept Mech Engn, Grp Ciencia & Tecnol Gas & Uso Rac Energia, Bogota, Colombia. RP Saxena, S (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM samveg@berkeley.edu FU Office of Science, of the US Department of Energy [DE-AC02-05CH11231] FX This study is part of a research effort at Lawrence Berkeley National Laboratory that is using exergy analysis as a research portfolio analysis tool to quantify and compare the efficiency gains that can be achieved by guiding the strategic direction of research and development funding in various technology areas. This work was supported by the Director, Office of Science, of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 24 TC 21 Z9 21 U1 1 U2 11 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 FEB PY 2014 VL 114 SI SI BP 155 EP 163 DI 10.1016/j.apenergy.2013.09.056 PG 9 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA AA0UY UT WOS:000330814100016 ER PT J AU Woo, CK Sreedharan, P Hargreaves, J Kahrl, F Wang, J Horowitz, I AF Woo, C. K. Sreedharan, P. Hargreaves, J. Kahrl, F. Wang, J. Horowitz, I. TI A review of electricity product differentiation SO APPLIED ENERGY LA English DT Review DE Product differentiation; Electricity economics; Grid operations and planning ID DEMAND-SIDE MANAGEMENT; MARGINAL CAPACITY COSTS; CUSTOMER OUTAGE COSTS; USE RATE OPTION; WIND ENERGY; HEURISTIC OPTIMIZATION; ECONOMETRIC-ANALYSIS; DISTRIBUTION COMPANY; PRICING EXPERIMENTS; RESIDENTIAL DEMAND AB This review is motivated by our recognition that an adequate and reliable electricity supply is a critical element in economic growth. From a customer's perspective, electricity has several distinct attributes: quality, reliability, time of use, consumption (kW h) volume, maximum demand (kW), and environmental impact. A differentiated product can be formed by packaging its non-price attributes at a commensurate price. The review weaves the academic literature with examples from the real world to address two substantive questions. First, is product differentiation a meaningful concept for electricity? Second, can product differentiation improve grid operations and planning, thereby lowering the cost of delivering electricity services? Based on our analysis and comprehensive review of the extant literature, our answer is "yes" to both questions. We conclude that applying product differentiation to electricity can greatly induce end-users to more effectively and efficiently satisfy their demands upon the system, and to do so in an environmentally friendly way. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Woo, C. K.] Hong Kong Baptist Univ, Dept Econ, Hong Kong, Hong Kong, Peoples R China. [Sreedharan, P.; Hargreaves, J.; Kahrl, F.] Energy & Environm Econ Inc, San Francisco, CA 94104 USA. [Wang, J.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. [Horowitz, I.] Univ Florida, Warrington Coll Business, Gainesville, FL 32611 USA. [Wang, J.] Shanghai Univ Elect Power, Sch Econ & Management, Shanghai, Peoples R China. RP Wang, J (reprint author), Argonne Natl Lab, Decis & Informat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jianhui.wang@anl.gov OI Woo, Chi-keung/0000-0001-6366-0960 NR 213 TC 19 Z9 19 U1 1 U2 22 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 FEB PY 2014 VL 114 SI SI BP 262 EP 272 DI 10.1016/j.apenergy.2013.09.070 PG 11 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA AA0UY UT WOS:000330814100026 ER PT J AU Wise, M Dooley, J Luckow, P Calvin, K Kyle, P AF Wise, Marshall Dooley, James Luckow, Patrick Calvin, Katherine Kyle, Page TI Agriculture, land use, energy and carbon emission impacts of global biofuel mandates to mid-century SO APPLIED ENERGY LA English DT Article DE Biofuels; Global energy; Global agriculture; Integrated assessment modeling; Carbon emissions ID BIO-ENERGY; BIOMASS; FUTURE; TRANSPORTATION; POTENTIALS; MITIGATION; SCENARIOS; CAPTURE; TARGETS; STORAGE AB Three potential future scenarios of expanded global biofuel production are presented here utilizing the GCAM integrated assessment model. These scenarios span a range that encompasses on the low end a continuation of existing biofuel production policies to two scenarios that would require an expansion of current targets as well as an extension of biofuels targets to other regions of the world. Conventional oil use is reduced by 4-8% in the expanded biofuel scenarios, which results in a decrease of in CO2 emissions on the order of 1-2 GtCO(2)/year by mid-century from the global transportation sector. The regional distribution of crop production is relatively unaffected, but the biofuels targets do result in a marked increase in the production of conventional crops used for energy. Producer prices of sugar and corn reach levels about 12% and 7% above year 2005 levels, while the increased competition for land causes the price of food crops such as wheat, although not used for bioenergy in this study, to increase by 1-2%. The amount of land devoted to growing all food crops and dedicated bioenergy crops is increased by about 10% by 2050 in the High biofuel case, with concurrent decreases in other uses of land such as forest and pasture. In both of the expanded biofuels cases studied, there is an increase in net cumulative carbon emissions for the first couple of decades due to these induced land use changes. However, the difference in net cumulative emissions from the biofuels expansion decline by about 2035 as the reductions in energy system emissions exceed further increases in emissions from land use change. Even in the absence of a policy that would limit emissions from land use change, the differences in net cumulative emissions from the biofuels scenarios reach zero by 2050, and are decreasing further over time in both cases. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Wise, Marshall; Dooley, James; Luckow, Patrick; Calvin, Katherine; Kyle, Page] Joint Global Change Res Inst, Pacific NW Natl Lab, College Pk, MD 20740 USA. [Luckow, Patrick] Synapse Energy Econ, Cambridge, MA 02139 USA. RP Wise, M (reprint author), Joint Global Change Res Inst, Pacific NW Natl Lab, 5825 Univ Res Court,Suite 3500, College Pk, MD 20740 USA. EM Marshall.Wise@pnnl.gov; jj.dooley@pnnl.gov; PLuckow@synapse-energy.com; Katherine.Calvin@pnnl.gov; pkyle@pnnl.gov OI Calvin, Katherine/0000-0003-2191-4189; Dooley, James/0000-0002-2824-4344 FU Bioenergy Technologies Office, US Department of Energy; Office of Science (BER), US Department of Energy FX While the authors are solely responsible for this research, they would like to gratefully acknowledge the Bioenergy Technologies Office, US Department of Energy for supporting much of the underlying research in this paper. The authors also thank the Office of Science (BER), US Department of Energy for its long-term support for the continued development of the GCAM, which is the core modeling tool used in the analysis presented here. NR 57 TC 20 Z9 20 U1 3 U2 36 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 FEB PY 2014 VL 114 SI SI BP 763 EP 773 DI 10.1016/j.apenergy.2013.08.042 PG 11 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA AA0UY UT WOS:000330814100075 ER PT J AU Strachan, DM Crum, JV Ryan, JV Silvestri, A AF Strachan, Denis M. Crum, Jarrod V. Ryan, Joseph V. Silvestri, Alberta TI Characterization and modeling of the cemented sediment surrounding the Iulia Felix glass SO APPLIED GEOCHEMISTRY LA English DT Article ID NORTHERN ADRIATIC SEA; FRACTURED ROMAN GLASS; NUCLEAR-WASTE GLASS; GULF-OF-TRIESTE; BOROSILICATE GLASS; ARCHAEOLOGICAL GLASS; CORROSION; MARINE AB About 1800 years ago a Roman Corbita sunk off the coast of Italy carrying a barrel of glass cullet to the floor of the Adriatic Sea. Samples of glass cullet and the cemented surrounding sediment have been characterized and the reaction between the glass and the sea water saturated with respect to calcite and dolomite has been modeled. Results from characterization and modeling show that the phase surrounding and cementing together the sediment grains is a high-Mg calcite. We find that the origin of this cementing phase is likely the reaction between the glass and the sea water to form a Mg-silicate, here modeled as sepiolite [Mg4Si6O15(OH)(2)center dot 6(H2O)]. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Strachan, Denis M.; Crum, Jarrod V.; Ryan, Joseph V.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Silvestri, Alberta] Univ Padua, Dept Geosci, Padua, Italy. RP Strachan, DM (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM denis.strachan@pnnl.gov; jarrod.crum@pnnl.-gov; joe.ryan@pnnl.gov; alberta.silvestri@unipd.it RI Silvestri, Alberta/P-9704-2015 OI Silvestri, Alberta/0000-0001-9747-3194 FU U.S. Department of Energy Office of Nuclear Energy; U.S. Department of Energy by Battelle Memorial Institute [DE-AC06-76RLO] FX We are deeply indebted to the Italian Ministry of Culture and Heritage for allowing us to investigate the Iulia Felix samples and who has been an excellent partner throughout the work. The authors wish to acknowledge the helpful comments from our colleague John Vienna, as well as the data given to us by Dr. F. Zhang at the University of Wisconsin-Madison that helped us interpret the XRD patterns from the consolidated sediment. Dr. Michele Giani at the Istituto Nazionale di Oceanografia e di Geofisica Sperimentale for his assistance in understanding the composition of the Adriatic sea water. This work was supported by the U.S. Department of Energy Office of Nuclear Energy. Pacific Northwest National Laboratory is a multi-program national laboratory operated for the U.S. Department of Energy by Battelle Memorial Institute under Contract DE-AC06-76RLO 1830. NR 34 TC 1 Z9 1 U1 0 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0883-2927 J9 APPL GEOCHEM JI Appl. Geochem. PD FEB PY 2014 VL 41 BP 107 EP 114 DI 10.1016/j.apgeochem.2013.12.003 PG 8 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AA4TD UT WOS:000331088200009 ER PT J AU Goueguel, C Singh, JP McIntyre, DL Jain, J Karamalidis, AK AF Goueguel, Christian Singh, Jagdish P. McIntyre, Dustin L. Jain, Jinesh Karamalidis, Athanasios K. TI Effect of Sodium Chloride Concentration on Elemental Analysis of Brines by Laser-Induced Breakdown Spectroscopy (LIBS) SO APPLIED SPECTROSCOPY LA English DT Article DE Laser-induced breakdown spectroscopy; LIBS; Underwater analysis; Brine; Sodium chloride; Calcium; Potassium; NaCl-matrix interference ID BULK AQUEOUS-SOLUTIONS; OPTICAL-EMISSION SPECTROMETRY; OCEANIC PRESSURES; SINGLE-PULSE; MATRIX; PLASMAS; SAMPLES; MEDIA; CO2; SEQUESTRATION AB Leakage of injected carbon dioxide (CO2) or resident fluids, such as brine, is a major concern associated with the injection of large volumes of CO2 into deep saline formations. Migration of brine could contaminate drinking water resources by increasing their salinity or endanger vegetation and animal life as well as human health. The main objective of this study was to investigate the effect of sodium chloride (NaCl) concentration on the detection of calcium and potassium in brine samples using laser-induced breakdown spectroscopy (LIBS). The ultimate goals were to determine the suitability of the LIBS technique for in situ measurements of metal ion concentrations in NaCl-rich solution and to develop a chemical sensor that can provide the early detection of brine intrusion into formations used for domestic or agricultural water production. Several brine samples of NaCl-CaCl2 and NaCl-KCl were prepared at NaCl concentrations between 0.0 and 3.0 M. The effect of NaCl concentration on the signal-to-background ratio (SBR) and signal-to-noise ratio (SNR) for calcium (422.67 nm) and potassium (769.49 nm) emission lines was evaluated. Results show that, for a delay time of 300 ns and a gate width of 3 mu s, the presence of and changes in NaCl concentration significantly affect the SBR and SNR for both emission lines. An increase in NaCl concentration from 0.0 to 3.0 M produced an increase in the SNR, whereas the SBR dropped continuously. The detection limits obtained for both elements were in the milligrams per liter range, suggesting that a NaCl-rich solution does not severely limit the ability of LIBS to detect trace amount of metal ions. C1 [Goueguel, Christian; Karamalidis, Athanasios K.] NETL RUA, Pittsburgh, PA 15236 USA. [Goueguel, Christian; Karamalidis, Athanasios K.] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. [Singh, Jagdish P.] Mississippi State Univ, Inst Clean Energy Technol, Starkville, MS 39759 USA. [Singh, Jagdish P.] JPS Adv Technol R&D LLC, Starkville, MS 39759 USA. [McIntyre, Dustin L.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Jain, Jinesh] URS Washington Div, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Goueguel, C (reprint author), NETL RUA, Pittsburgh, PA 15236 USA. EM christian.goueguel@netl.doe.gov RI Goueguel, Christian/J-9316-2015 OI Goueguel, Christian/0000-0003-0521-3446 FU Research and Engineering Services (RES) [DE-FE0004000]; National Energy Technology Laboratory-Oak Ridge Institute for Science and Education (NETL-ORISE) Visiting Faculty Program FX As part of the National Energy Technology Laboratory Regional University Alliance (NETL-RUA), a collaborative initiative of the NETL, this technical effort was performed under the Research and Engineering Services (RES) contract DE-FE0004000. Jagdish Singh acknowledges the National Energy Technology Laboratory-Oak Ridge Institute for Science and Education (NETL-ORISE) Visiting Faculty Program for financial support. NR 40 TC 6 Z9 6 U1 5 U2 19 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 5320 SPECTRUM DRIVE SUITE C, FREDERICK, MD 21703 USA SN 0003-7028 EI 1943-3530 J9 APPL SPECTROSC JI Appl. Spectrosc. PD FEB PY 2014 VL 68 IS 2 BP 213 EP 221 DI 10.1366/13-07110 PG 9 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA AA2GR UT WOS:000330913600009 PM 24480277 ER PT J AU Beiersdorfer, P Lepson, JK Desai, P Diaz, F Ishikawa, Y AF Beiersdorfer, P. Lepson, J. K. Desai, P. Diaz, F. Ishikawa, Y. TI NEW IDENTIFICATIONS OF Fe IX, Fe x, Fe XI, Fe XII, AND Fe XIII LINES IN THE SPECTRUM OF PROCYON OBSERVED WITH THE CHANDRA X-RAY OBSERVATORY SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE atomic processes; line: formation; stars: coronae; stars: individual (Procyon); X-rays: general ID EXTREME-ULTRAVIOLET REGION; EUV SPECTROSCOPY; EMISSION-LINES; COOL STARS; S XIV; VII; TRANSITIONS; ANGSTROM; CAPELLA; XVI AB We have analyzed 280 ks of co-added observations performed with Chandra's Low Energy Transmission Grating Spectrometer using theoretical spectra of Fe VIII through Fe XVII. The model spectral data were produced by combining collisional excitation data generated with the Flexible Atomic Code and transition energies generated with a relativistic code based on the multi-reference Moller-Plesset perturbation theory. The spectroscopic accuracy of the theoretical Fe IX wave lengths was ascertained in a comparison with existing laboratory measurements. We find several new Fe IX lines in the 100-140 angstrom region and confirm two previous identifications. We also have identified a new line from Fe X near 111 angstrom; several weak features near 102 angstrom may also be ascribed to Fe X. A line near 100.5 angstrom is identified as originating from Fe XI; a neighboring feature near 101 angstrom may also be from Fe XI. A cluster of three weak lines between 117 and 118 angstrom may be ascribed to Fe XII. Two lines near 104 and 106 angstrom, respectively, have been assigned to Fe XIII. In addition, we confirmed the presence of two out of four Fe VIII lines that were thought to exist in the spectrum. These two lines are located near 131 angstrom. The Fe IX emission is weakly sensitive to the assumed electron density, while the Fe XIII is strongly dependent on density. We find that a density between 109 and 1010 cm(-3) provides the best fit to the Procyon spectrum. We note that several of the new identifications have come at the expense of prior assignments to magnesium or calcium lines, removing evidence for the presence of these elements in this spectral region. No evidence for Fe XVIII, Fe XIX, or Fe XX was found. C1 [Beiersdorfer, P.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. [Beiersdorfer, P.; Lepson, J. K.; Desai, P.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Diaz, F.; Ishikawa, Y.] Univ Puerto Rico, Dept Chem, San Juan, PR 00931 USA. [Diaz, F.; Ishikawa, Y.] Univ Puerto Rico, Chem Phys Program, San Juan, PR 00931 USA. RP Beiersdorfer, P (reprint author), Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. FU Department of Energy [DE-AC52-07NA-27344]; Chandra Guest Observer Award [GO0-11031X] FX Work by the Lawrence Livermore National Laboratory was performed under the auspices of the Department of Energy under contract No. DE-AC52-07NA-27344. This work was supported by Chandra Guest Observer Award GO0-11031X. P.B. acknowledges the hospitality of the University of Puerto Rico, Chemical Physics Program, while performing the MRMP and FAC calculations. NR 30 TC 4 Z9 4 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 EI 1538-4365 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD FEB PY 2014 VL 210 IS 2 AR 16 DI 10.1088/0067-0049/210/2/16 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AA6WN UT WOS:000331239000002 ER PT J AU Cardall, CY Budiardja, RD Endeve, E Mezzacappa, A AF Cardall, Christian Y. Budiardja, Reuben D. Endeve, Eirik Mezzacappa, Anthony TI GENASIS: GENERAL ASTROPHYSICAL SIMULATION SYSTEM. I. REFINABLE MESH AND NONRELATIVISTIC HYDRODYNAMICS SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE hydrodynamics; methods: numerical ID CORE-COLLAPSE SUPERNOVAE; HYPERBOLIC CONSERVATION-LAWS; GODUNOV-TYPE METHODS; MULTIDIMENSIONAL RELATIVISTIC FLOWS; NEUTRINO-RADIATION HYDRODYNAMICS; HLLC RIEMANN SOLVER; CENTRAL-TYPE SCHEME; EQUATION-OF-STATE; CIRCLE-DOT STAR; IDEAL MAGNETOHYDRODYNAMICS AB GenASiS (General Astrophysical Simulation System) is a new code being developed initially and primarily, though by no means exclusively, for the simulation of core-collapse supernovae on the world's leading capability supercomputers. This paper-the first in a series-demonstrates a centrally refined coordinate patch suitable for gravitational collapse and documents methods for compressible nonrelativistic hydrodynamics. We benchmark the hydrodynamics capabilities of GenASiS against many standard test problems; the results illustrate the basic competence of our implementation, demonstrate the strengths and limitations of the HLLC relative to the HLL Riemann solver in a number of interesting cases, and provide preliminary indications of the code's ability to scale and to function with cell-by-cell fixed-mesh refinement. C1 [Cardall, Christian Y.; Budiardja, Reuben D.; Mezzacappa, Anthony] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Cardall, Christian Y.; Budiardja, Reuben D.; Mezzacappa, Anthony] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Budiardja, Reuben D.] Oak Ridge Natl Lab, Joint Inst Heavy Ion Res, Oak Ridge, TN 37831 USA. [Budiardja, Reuben D.] Univ Tennessee, Natl Inst Computat Sci, Knoxville, TN 37996 USA. [Endeve, Eirik; Mezzacappa, Anthony] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Cardall, CY (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM cardallcy@ornl.gov RI Mezzacappa, Anthony/B-3163-2017; OI Mezzacappa, Anthony/0000-0001-9816-9741; Endeve, Eirik/0000-0003-1251-9507 FU Office of Advanced Scientific Computing Research; Office of Nuclear Physics, US Department of Energy FX This research was supported by the Office of Advanced Scientific Computing Research and the Office of Nuclear Physics, US Department of Energy. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory provided through the INCITE program. NR 97 TC 4 Z9 4 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 EI 1538-4365 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD FEB PY 2014 VL 210 IS 2 AR 17 DI 10.1088/0067-0049/210/2/17 PG 29 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AA6WN UT WOS:000331239000003 ER PT J AU Viero, MP Asboth, V Roseboom, IG Moncelsi, L Marsden, G Cooper, EM Zemcov, M Addison, G Baker, AJ Beelen, A Bock, J Bridge, C Conley, A Devlin, MJ Dore, O Farrah, D Finkelstein, S Font-Ribera, A Geach, JE Gebhardt, K Gill, A Glenn, J Hajian, A Halpern, M Jogee, S Kurczynski, P Lapi, A Negrello, M Oliver, SJ Papovich, C Quadri, R Ross, N Scott, D Schulz, B Somerville, R Spergel, DN Vieira, JD Wang, L Wechsler, R AF Viero, M. P. Asboth, V. Roseboom, I. G. Moncelsi, L. Marsden, G. Cooper, E. Mentuch Zemcov, M. Addison, G. Baker, A. J. Beelen, A. Bock, J. Bridge, C. Conley, A. Devlin, M. J. Dore, O. Farrah, D. Finkelstein, S. Font-Ribera, A. Geach, J. E. Gebhardt, K. Gill, A. Glenn, J. Hajian, A. Halpern, M. Jogee, S. Kurczynski, P. Lapi, A. Negrello, M. Oliver, S. J. Papovich, C. Quadri, R. Ross, N. Scott, D. Schulz, B. Somerville, R. Spergel, D. N. Vieira, J. D. Wang, L. Wechsler, R. TI THE HERSCHEL STRIPE 82 SURVEY (HerS): MAPS AND EARLY CATALOG SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE cosmology: observations; galaxies: evolution; infrared: galaxies; large-scale structure of universe; submillimeter: galaxies ID DIGITAL SKY SURVEY; SOUTH-POLE TELESCOPE; INFRARED BACKGROUND ANISOTROPIES; STAR-FORMING GALAXIES; DEEP FIELD-SOUTH; NUMBER COUNTS; EXTRAGALACTIC SURVEY; POWER SPECTRUM; DATA RELEASE; DARK-MATTER AB We present the first set of maps and band-merged catalog from the Herschel Stripe 82 Survey (HerS). Observations at 250, 350, and 500 mu m were taken with the Spectral and Photometric Imaging Receiver instrument aboard the Herschel Space Observatory. HerS covers 79 deg(2) along the SDSS Stripe 82 to an average depth of 13.0, 12.9, and 14.8 mJy beam(-1) (including confusion) at 250, 350, and 500 mu m, respectively. HerS was designed to measure correlations with external tracers of the dark matter density field-either point-like (i.e., galaxies selected from radio to X-ray) or extended (i.e., clusters and gravitational lensing)-in order to measure the bias and redshift distribution of intensities of infrared-emitting dusty star-forming galaxies and active galactic nuclei. By locating HerS in Stripe 82, we maximize the overlap with available and upcoming cosmological surveys. The band-merged catalog contains 3.3 x 10(4) sources detected at a significance of >= 3 sigma (including confusion noise). The maps and catalog are available at http://www.astro.caltech.edu/hers/. C1 [Viero, M. P.; Moncelsi, L.; Zemcov, M.; Bock, J.; Bridge, C.; Dore, O.; Schulz, B.; Vieira, J. D.] CALTECH, Pasadena, CA 91125 USA. [Asboth, V.; Marsden, G.; Addison, G.; Halpern, M.; Scott, D.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. [Roseboom, I. G.] Univ Edinburgh, Inst Astron, Royal Observ, Edinburgh EH9 3HJ, Midlothian, Scotland. [Cooper, E. Mentuch; Finkelstein, S.; Gebhardt, K.; Jogee, S.] Univ Texas Austin, Dept Astron, Austin, TX 78712 USA. [Zemcov, M.; Bock, J.; Dore, O.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Baker, A. J.; Kurczynski, P.; Somerville, R.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Beelen, A.] Univ Paris 11, IAS, F-91405 Orsay, France. [Beelen, A.] CNRS, UMR 8617, F-91405 Orsay, France. [Conley, A.; Gill, A.; Glenn, J.] Univ Colorado, Ctr Astrophys & Space Astron UCB 389, Boulder, CO 80309 USA. [Devlin, M. J.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Farrah, D.] Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA. [Font-Ribera, A.] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. [Font-Ribera, A.; Ross, N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Geach, J. E.] Univ Hertfordshire, Ctr Astrophys Res, Sci & Technol Res Inst, Hatfield AL10 9AB, Herts, England. [Glenn, J.] Univ Colorado, Dept Astrophys & Planetary Sci, CASA UCB 389, Boulder, CO 80309 USA. [Hajian, A.] Univ Toronto, Canadian Inst Theoret Astrophys, Toronto, ON M5S 3H8, Canada. [Lapi, A.] Univ Roma Tor Vergata, Dip Fis, I-00133 Rome, Italy. [Lapi, A.] SISSA, Astrophys Sect, I-34136 Trieste, Italy. [Negrello, M.] Osserv Astron Padova, INAF, I-35122 Padua, Italy. [Oliver, S. J.] Univ Sussex, Ctr Astron, Dept Phys & Astron, Brighton BN1 9QH, E Sussex, England. [Papovich, C.] Texas A&M Univ, George P & Cynthia Woods Mitchell Inst Fundamenta, Dept Phys & Astron, College Stn, TX 77843 USA. [Quadri, R.] Carnegie Observ, Pasadena, CA 91101 USA. [Schulz, B.] CALTECH, Infrared Proc & Anal Ctr, JPL, Pasadena, CA 91125 USA. [Spergel, D. N.] Princeton Univ, Joseph Henry Labs Phys, Princeton, NJ 08544 USA. [Wang, L.] Univ Durham, Inst Computat Cosmol, Dept Phys, Durham DH1 3LE, England. [Wechsler, R.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. [Wechsler, R.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. RP Viero, MP (reprint author), CALTECH, 1200 East Calif Blvd, Pasadena, CA 91125 USA. EM marco.viero@caltech.edu OI Scott, Douglas/0000-0002-6878-9840 FU CSA (Canada); NAOC (China); CEA, (France); CNES, (France); CNRS (France); ASI (Italy); MCINN (Spain); SNSB (Sweden); STFC (UK); UKSA (UK); NASA (USA) FX The authors warmly thank Duncan Hanson, Brandon Hensley, Edward Chapin, and Lyman Page for their input and participation. We also thank the anonymous referee, whose comments have greatly improved this paper. SPIRE has been developed by a consortium of institutes led by Cardiff University (UK) and including: the University of Lethbridge (Canada); NAOC (China); CEA, LAM (France); IFSI, the University of Padua (Italy); IAC (Spain); Stockholm Observatory (Sweden); Imperial College London, RAL, UCL-MSSL, UKATC, the University of Sussex (UK); and Caltech, JPL, NHSC, the University of Colorado (USA). This development has been supported by national funding agencies: CSA (Canada); NAOC (China); CEA, CNES, CNRS (France); ASI (Italy); MCINN (Spain); SNSB (Sweden); STFC, UKSA (UK); and NASA (USA). NR 76 TC 36 Z9 36 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 EI 1538-4365 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD FEB PY 2014 VL 210 IS 2 AR 22 DI 10.1088/0067-0049/210/2/22 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AA6WN UT WOS:000331239000008 ER PT J AU Potosnak, MJ LeStourgeon, L Pallardy, SG Hosman, KP Gu, LH Karl, T Geron, C Guenther, AB AF Potosnak, Mark J. LeStourgeon, Lauren Pallardy, Stephen G. Hosman, Kevin P. Gu, Lianhong Karl, Thomas Geron, Chris Guenther, Alex B. TI Observed and modeled ecosystem isoprene fluxes from an oakdominated temperate forest and the influence of drought stress SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Biosphere-atmosphere interactions; Isoprene; Eddy covariance; Ecosystem fluxes; Drought stress ID DECIDUOUS FOREST; MONOTERPENE EMISSIONS; ELEVATED CO2; LONG-TERM; LEAVES; PHOTOSYNTHESIS; AEROSOLS; VOLATILE; ASPEN; VARIABILITY AB Ecosystem fluxes of isoprene emissions were measured during the majority of the 2011 growing season at the University of Missouri's Baskett Wildlife Research and Education Area in central Missouri, USA (38.7 degrees N, 92.2 degrees W). This broadleaf deciduous forest is typical of forests common in the Ozarks region of the central United States. The goal of the isoprene flux measurements was to test our understanding of the controls on isoprene emission from the hourly to the seasonal timescale using a state-of-the-art emission model, MEGAN (Model of Emissions of Gases and Aerosols from Nature). Isoprene emission rates from the forest were very high with a maximum of 53.3 mg m(-2) h(-1) (217 nmol m(-2) s(-1)), which to our knowledge exceeds all other reports of canopy-scale isoprene emission. The fluxes showed a clear dependence on the previous temperature and light regimes, which was successfully captured by the existing algorithms in MEGAN. During a period of drought, MEGAN was unable to reproduce the time-dependent response of isoprene emission to water stress. Overall, the performance of MEGAN was robust and could explain 90% of the observed variance in the measured fluxes, but the response of isoprene emission to drought stress is a major source of uncertainty. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Potosnak, Mark J.; LeStourgeon, Lauren] Depaul Univ, Dept Environm Sci & Studies, Chicago, IL 60614 USA. [Pallardy, Stephen G.; Hosman, Kevin P.] Univ Missouri, Dept Forestry, Columbia, MO 65211 USA. [Gu, Lianhong] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Karl, Thomas] Univ Innsbruck, Inst Meteorol & Geophys, A-6020 Innsbruck, Austria. [Geron, Chris] US EPA, Off Res & Dev, Natl Risk Management Res Lab, Air Pollut Prevent & Control Div, Res Triangle Pk, NC 27711 USA. [Guenther, Alex B.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Potosnak, MJ (reprint author), Depaul Univ, Dept Environm Sci & Studies, 1110 W Belden Ave, Chicago, IL 60614 USA. EM mpotosna@depaul.edu RI Karl, Thomas/D-1891-2009; Guenther, Alex/B-1617-2008; Gu, Lianhong/H-8241-2014 OI Karl, Thomas/0000-0003-2869-9426; Guenther, Alex/0000-0001-6283-8288; Gu, Lianhong/0000-0001-5756-8738 FU National Science Foundation for a Collaborative Research award entitled Biogenic Volatile Organic Compound Emissions from the Tundra and Arctic Atmospheric Chemistry [1025948]; EC Seventh Framework Program (Marie Curie Reintegration Program, "ALP-AIR" [334084] FX M.P. gratefully acknowledges support from the National Science Foundation for a Collaborative Research award entitled Biogenic Volatile Organic Compound Emissions from the Tundra and Arctic Atmospheric Chemistry (1025948). T.K. was also supported by the EC Seventh Framework Program (Marie Curie Reintegration Program, "ALP-AIR", grant no. 334084). The United States Environmental Protection Agency participated in the research described here. It has been subjected to Agency's administrative review and approved for publication. NR 39 TC 17 Z9 17 U1 2 U2 38 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD FEB PY 2014 VL 84 BP 314 EP 322 DI 10.1016/j.atmosenv.2013.11.055 PG 9 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 302JZ UT WOS:000330602100034 ER PT J AU Bals, BD Gunawan, C Moore, J Teymouri, F Dale, BE AF Bals, Bryan D. Gunawan, Christa Moore, Janette Teymouri, Farzaneh Dale, Bruce E. TI Enzymatic Hydrolysis of Pelletized AFEX (TM)-Treated Corn Stover at High Solid Loadings SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE densification; pelletization; AFEX; regional processing; depot; liquefaction ID LIGNOCELLULOSIC BIOMASS; PARTICLE-SIZE; PRETREATMENT; SACCHARIFICATION; SLURRIES; HORNIFICATION; SWITCHGRASS; CONVERSION; LOGISTICS; ETHANOL AB Ammonia fiber expansion (AFEX (TM)) pretreatment can be performed at small depots, and the pretreated biomass can then be pelletized and shipped to a centralized refinery. To determine the feasibility of this approach, pelletized AFEX-treated corn stover was hydrolyzed at high (18-36%) solid loadings. Water absorption and retention by the pellets was low compared to unpelletized stover, which allowed enzymatic hydrolysis slurries to remain well mixed without the need for fed-batch addition. Glucose yields of 68% and xylose yields of 65% were obtained with 20 mg enzyme/g glucan and 18% solid loading after 72 h, compared to 61% and 59% for unpelletized corn stover. Pelletization also slightly increased the initial rate of hydrolysis compared to unpelletized biomass. The ease of mixing and high yields obtained suggests that pelletization after AFEX pretreatment could have additional advantages beyond improved logistical handling of biomass. (C) 2013 Wiley Periodicals, Inc. C1 [Bals, Bryan D.; Moore, Janette; Teymouri, Farzaneh] MBI, Lansing, MI 48910 USA. [Gunawan, Christa; Dale, Bruce E.] Michigan State Univ, Dept Chem Engn & Mat Sci, Lansing, MI USA. [Gunawan, Christa; Dale, Bruce E.] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. RP Bals, BD (reprint author), MBI, 3815 Technol Blvd, Lansing, MI 48910 USA. EM bals@mbi.org FU North Dakota Industrial Commission; DOE Great Lakes Bioenergy Research Center FX Contract grant sponsor: North Dakota Industrial Commission; Contract grant sponsor: DOE Great Lakes Bioenergy Research Center NR 26 TC 15 Z9 15 U1 1 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0006-3592 EI 1097-0290 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD FEB PY 2014 VL 111 IS 2 BP 264 EP 271 DI 10.1002/bit.25022 PG 8 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AA3CA UT WOS:000330969300006 PM 23955838 ER PT J AU Almendro, V Cheng, YK Randles, A Itzkovitz, S Marusyk, A Ametller, E Gonzalez-Farre, X Munoz, M Russnes, HG Helland, A Rye, IH Borresen-Dale, AL Maruyama, R van Oudenaarden, A Dowsett, M Jones, RL Reis, J Gascon, P Gonen, M Michor, F Polyak, K AF Almendro, Vanessa Cheng, Yu-Kang Randles, Amanda Itzkovitz, Shalev Marusyk, Andriy Ametller, Elisabet Gonzalez-Farre, Xavier Munoz, Montse Russnes, Hege G. Helland, Aslaug Rye, Inga H. Borresen-Dale, Anne-Lise Maruyama, Reo van Oudenaarden, Alexander Dowsett, Mitchell Jones, Robin L. Reis-Filho, Jorge Gascon, Pere Goenen, Mithat Michor, Franziska Polyak, Kornelia TI Inference of Tumor Evolution during Chemotherapy by Computational Modeling and In Situ Analysis of Genetic and Phenotypic Cellular Diversity SO CELL REPORTS LA English DT Article ID BREAST-CANCER CELLS; PATHOLOGICAL COMPLETE RESPONSE; NEOADJUVANT CHEMOTHERAPY; PREOPERATIVE CHEMOTHERAPY; ESOPHAGEAL ADENOCARCINOMA; MOLECULAR PORTRAITS; HETEROGENEITY; RESISTANCE; PROGRESSION; CARCINOMAS AB Cancer therapy exerts a strong selection pressure that shapes tumor evolution, yet our knowledge of how tumors change during treatment is limited. Here, we report the analysis of cellular heterogeneity for genetic and phenotypic features and their spatial distribution in breast tumors pre- and post-neoadjuvant chemotherapy. We found that intratumor genetic diversity was tumor-subtype specific, and it did not change during treatment in tumors with partial or no response. However, lower pretreatment genetic diversity was significantly associated with pathologic complete response. In contrast, phenotypic diversity was different between pre- and post-treatment samples. We also observed significant changes in the spatial distribution of cells with distinct genetic and phenotypic features. We used these experimental data to develop a stochastic computational model to infer tumor growth patterns and evolutionary dynamics. Our results highlight the importance of integrated analysis of genotypes and phenotypes of single cells in intact tissues to predict tumor evolution. C1 [Almendro, Vanessa; Marusyk, Andriy; Maruyama, Reo; Polyak, Kornelia] Dana Farber Canc Inst, Dept Med Oncol, Boston, MA 02215 USA. [Almendro, Vanessa; Marusyk, Andriy; Maruyama, Reo; Polyak, Kornelia] Brigham & Womens Hosp, Dept Med, Boston, MA 02115 USA. [Almendro, Vanessa; Marusyk, Andriy; Maruyama, Reo; Polyak, Kornelia] Harvard Univ, Sch Med, Dept Med, Boston, MA 02115 USA. [Almendro, Vanessa; Ametller, Elisabet; Gonzalez-Farre, Xavier; Munoz, Montse; Gascon, Pere] Hosp Clin Barcelona, Inst Invest Biomed August Pi & Sunyer, Dept Med Oncol, E-08036 Barcelona, Spain. [Cheng, Yu-Kang; Randles, Amanda; Michor, Franziska] Dana Farber Canc Inst, Dept Biostat & Computat Biol, Boston, MA 02215 USA. [Cheng, Yu-Kang; Randles, Amanda; Michor, Franziska] Harvard Univ, Sch Publ Hlth, Dept Biostat, Boston, MA 02115 USA. [Randles, Amanda] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. [Itzkovitz, Shalev; van Oudenaarden, Alexander] MIT, Dept Phys, Cambridge, MA 02139 USA. [Itzkovitz, Shalev; van Oudenaarden, Alexander] MIT, Dept Biol, Cambridge, MA 02139 USA. [Itzkovitz, Shalev; van Oudenaarden, Alexander] MIT, Koch Inst Integrat Canc Res, Cambridge, MA 02139 USA. [Itzkovitz, Shalev] Weizmann Inst Sci, Dept Mol Cell Biol, IL-76100 Rehovot, Israel. [Russnes, Hege G.; Helland, Aslaug; Rye, Inga H.; Borresen-Dale, Anne-Lise] Oslo Univ Hosp, Radiumhosp, Inst Canc Res, Dept Genet, N-0424 Oslo, Norway. [Russnes, Hege G.; Rye, Inga H.; Borresen-Dale, Anne-Lise] Univ Oslo, Fac Med, Inst Clin Med, KG Jebsen Ctr Breast Canc Res, N-0316 Oslo, Norway. [Russnes, Hege G.] Oslo Univ Hosp, Dept Pathol, N-0424 Oslo, Norway. [Helland, Aslaug] Oslo Univ Hosp, Dept Oncol, N-0424 Oslo, Norway. [Helland, Aslaug] Univ Oslo, Fac Med, Inst Clin Med, N-0316 Oslo, Norway. [van Oudenaarden, Alexander] Royal Netherlands Acad Arts & Sci, Hubrecht Inst, NL-3584 CT Utrecht, Netherlands. [van Oudenaarden, Alexander] Univ Med Ctr Utrecht, NL-3584 CT Utrecht, Netherlands. [Dowsett, Mitchell; Jones, Robin L.; Reis-Filho, Jorge] Royal Marsden Hosp, Breakthrough Breast Canc Res Ctr, Inst Canc Res, London SW3 6JJ, England. [Jones, Robin L.] Seattle Canc Care Alliance, Seattle, WA 98109 USA. [Reis-Filho, Jorge] Mem Sloan Kettering Canc Ctr, Dept Pathol, New York, NY 10065 USA. [Goenen, Mithat] Mem Sloan Kettering Canc Ctr, Dept Epidemiol & Biostat, New York, NY 10065 USA. [Polyak, Kornelia] Harvard Stem Cell Inst, Cambridge, MA 02138 USA. [Polyak, Kornelia] Broad Inst, Cambridge, MA 02142 USA. RP Michor, F (reprint author), Dana Farber Canc Inst, Dept Biostat & Computat Biol, Boston, MA 02215 USA. EM michor@jimmy.harvard.edu; kornelia_polyak@dfci.harvard.edu RI Gascon, Pere/F-7905-2015; Helland, Aslaug/H-3910-2015; Russnes, Hege/N-6170-2015; Silva, Mariana/B-9530-2012; OI Helland, Aslaug/0000-0002-5520-0275; Russnes, Hege/0000-0001-8724-1891; Randles, Amanda/0000-0001-6318-3885; Gonzalez Farre, Xavier/0000-0002-5797-7037 FU National Cancer Institute Physical Sciences Oncology Center [U54CA143874, U54CA143798]; Susan G. Komen Foundation; Cellex Foundation; Redes Tematicas de Investigacion en Cancer [RD12/0036/0055]; Breast Cancer Research Foundation; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We thank members of our laboratories for their critical reading of this manuscript and useful discussions. We thank Lisa Cameron in the DFCI Confocal Microscopy for her technical support. This work was supported by the National Cancer Institute Physical Sciences Oncology Center U54CA143874 (to A.v.O.) and U54CA143798 (to F.M.), the Susan G. Komen Foundation (to R.M.), Cellex Foundation (to V.A.), by Redes Tematicas de Investigacion en Cancer (RD12/0036/0055 to P.G. and E.A.), and the Breast Cancer Research Foundation (to K.P.). Part of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 51 TC 102 Z9 105 U1 2 U2 31 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 2211-1247 J9 CELL REP JI Cell Reports PD FEB PY 2014 VL 6 IS 3 BP 514 EP 527 DI 10.1016/j.celrep.2013.12.041 PG 14 WC Cell Biology SC Cell Biology GA AA5VT UT WOS:000331168400010 PM 24462293 ER PT J AU van Vuuren, DP Kriegler, E O'Neill, BC Ebi, KL Riahi, K Carter, TR Edmonds, J Hallegatte, S Kram, T Mathur, R Winkler, H AF van Vuuren, Detlef P. Kriegler, Elmar O'Neill, Brian C. Ebi, Kristie L. Riahi, Keywan Carter, Timothy R. Edmonds, Jae Hallegatte, Stephane Kram, Tom Mathur, Ritu Winkler, Harald TI A new scenario framework for Climate Change Research: scenario matrix architecture SO CLIMATIC CHANGE LA English DT Article ID STABILIZATION; PATHWAY AB This paper describes the scenario matrix architecture that underlies a framework for developing new scenarios for climate change research. The matrix architecture facilitates addressing key questions related to current climate research and policy-making: identifying the effectiveness of different adaptation and mitigation strategies (in terms of their costs, risks and other consequences) and the possible trade-offs and synergies. The two main axes of the matrix are: 1) the level of radiative forcing of the climate system (as characterised by the representative concentration pathways) and 2) a set of alternative plausible trajectories of future global development (described as shared socio-economic pathways). The matrix can be used to guide scenario development at different scales. It can also be used as a heuristic tool for classifying new and existing scenarios for assessment. Key elements of the architecture, in particular the shared socio-economic pathways and shared policy assumptions (devices for incorporating explicit mitigation and adaptation policies), are elaborated in other papers in this special issue. C1 [van Vuuren, Detlef P.; Kram, Tom] PBL Netherlands Environm Assessment Agcy, NL-3720 AH Bilthoven, Netherlands. [van Vuuren, Detlef P.] Univ Utrecht, Dept Geosci, Utrecht, Netherlands. [Kriegler, Elmar] Potsdam Inst Climate Impact Res, Potsdam, Germany. [O'Neill, Brian C.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Ebi, Kristie L.] ClimAdapt LLC, Los Altos, CA USA. [Riahi, Keywan] Int Inst Appl Syst Anal, Vienna, Austria. [Carter, Timothy R.] Finnish Environm Inst SYKE, Climate Change Programme, Helsinki 00251, Finland. [Edmonds, Jae] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD USA. [Hallegatte, Stephane] World Bank, Washington, DC 20433 USA. [Mathur, Ritu] Energy & Resources Inst TERI, New Delhi, India. [Winkler, Harald] Univ Cape Town, ZA-7925 Cape Town, South Africa. RP van Vuuren, DP (reprint author), PBL Netherlands Environm Assessment Agcy, POB 303, NL-3720 AH Bilthoven, Netherlands. EM detlef.vanvuuren@pbl.nl RI O'Neill, Brian/E-6531-2013; van Vuuren, Detlef/A-4764-2009; Kriegler, Elmar/I-3048-2016; Riahi, Keywan/B-6426-2011; OI van Vuuren, Detlef/0000-0003-0398-2831; Kriegler, Elmar/0000-0002-3307-2647; Riahi, Keywan/0000-0001-7193-3498; Winkler, Harald/0000-0002-5826-4071 NR 25 TC 66 Z9 66 U1 8 U2 47 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD FEB PY 2014 VL 122 IS 3 SI SI BP 373 EP 386 DI 10.1007/s10584-013-0906-1 PG 14 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AA3JS UT WOS:000330989300003 ER PT J AU Kriegler, E Edmonds, J Hallegatte, S Ebi, KL Kram, T Riahi, K Winkler, H van Vuuren, DP AF Kriegler, Elmar Edmonds, Jae Hallegatte, Stephane Ebi, Kristie L. Kram, Tom Riahi, Keywan Winkler, Harald van Vuuren, Detlef P. TI A new scenario framework for climate change research: the concept of shared climate policy assumptions SO CLIMATIC CHANGE LA English DT Article ID EMISSIONS; WORLD AB The new scenario framework facilitates the coupling of multiple socioeconomic reference pathways with climate model products using the representative concentration pathways. This will allow for improved assessment of climate impacts, adaptation and mitigation. Assumptions about climate policy play a major role in linking socioeconomic futures with forcing and climate outcomes. The paper presents the concept of shared climate policy assumptions as an important element of the new scenario framework. Shared climate policy assumptions capture key policy attributes such as the goals, instruments and obstacles of mitigation and adaptation measures, and introduce an important additional dimension to the scenario matrix architecture. They can be used to improve the comparability of scenarios in the scenario matrix. Shared climate policy assumptions should be designed to be policy relevant, and as a set to be broad enough to allow a comprehensive exploration of the climate change scenario space. C1 [Kriegler, Elmar] Potsdam Inst Climate Impact Res, Potsdam, Germany. [Edmonds, Jae] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD USA. [Hallegatte, Stephane] World Bank, Washington, DC 20433 USA. [Ebi, Kristie L.] ClimAdapt LLC, Los Altos, CA USA. [Kram, Tom; van Vuuren, Detlef P.] PBL Netherlands Environm Assessment Agcy, The Hague, Netherlands. [Riahi, Keywan] Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria. [Winkler, Harald] Univ Cape Town, Energy Res Ctr, ZA-7925 Cape Town, South Africa. [van Vuuren, Detlef P.] Univ Utrecht, Dept Geosci, Utrecht, Netherlands. RP Kriegler, E (reprint author), Potsdam Inst Climate Impact Res, Potsdam, Germany. EM kriegler@pik-potsdam.de RI van Vuuren, Detlef/A-4764-2009; Kriegler, Elmar/I-3048-2016; Riahi, Keywan/B-6426-2011 OI van Vuuren, Detlef/0000-0003-0398-2831; Kriegler, Elmar/0000-0002-3307-2647; Winkler, Harald/0000-0002-5826-4071; Riahi, Keywan/0000-0001-7193-3498 FU Integrated Assessment Research Program in the Office of Science, U.S. Department of Energy FX Jae Edmonds' participation was supported by the Integrated Assessment Research Program in the Office of Science, U.S. Department of Energy. NR 28 TC 29 Z9 30 U1 6 U2 37 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD FEB PY 2014 VL 122 IS 3 SI SI BP 401 EP 414 DI 10.1007/s10584-013-0971-5 PG 14 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AA3JS UT WOS:000330989300005 ER PT J AU Wilbanks, TJ Ebi, KL AF Wilbanks, Thomas J. Ebi, Kristie L. TI SSPs from an impact and adaptation perspective SO CLIMATIC CHANGE LA English DT Article AB The Shared Socioeconomic Pathways (SSPs) offer benefits for communities concerned with climate change adaptation research and actions (IAV), but some challenges need to be overcome in order to facilitate active IAV involvement in SSP use. This essay summarizes potential benefits, challenges, and possible strategies for enhancing the value of the SSP approach for IAV communities. Uses of the Shared Socioeconomics Pathways (SSPs) and the new climate scenarios by the climate change impact, adaptation, and vulnerability (IAV) research communities have been very limited because of a combination of the characteristics of most IAV research and the framing of SSPs at the outset. Recent refinements of the SSP framework should improve IAV receptivity to the SSP perspectives and tools and encourage engagement in the scenario development process, and ways can be suggested to accelerate this process; but a number of challenges remain to be addressed, many of them by the IAV communities themselves rather than by the SSP development process per se. C1 [Wilbanks, Thomas J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Ebi, Kristie L.] ClimAdapt LLC, Los Altos, CA USA. RP Wilbanks, TJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM wilbankstj@ornl.gov RI Brooks, Katya/J-4975-2014 NR 7 TC 9 Z9 10 U1 2 U2 17 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD FEB PY 2014 VL 122 IS 3 SI SI BP 473 EP 479 DI 10.1007/s10584-013-0903-4 PG 7 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AA3JS UT WOS:000330989300010 ER PT J AU van Ruijven, BJ Levy, MA Agrawal, A Biermann, F Birkmann, J Carter, TR Ebi, KL Garschagen, M Jones, B Jones, R Kemp-Benedict, E Kok, M Kok, K Lemos, MC Lucas, PL Orlove, B Pachauri, S Parris, TM Patwardhan, A Petersen, A Preston, BL Ribot, J Rothman, DS Schweizer, VJ AF van Ruijven, Bas J. Levy, Marc A. Agrawal, Arun Biermann, Frank Birkmann, Joern Carter, Timothy R. Ebi, Kristie L. Garschagen, Matthias Jones, Bryan Jones, Roger Kemp-Benedict, Eric Kok, Marcel Kok, Kasper Lemos, Maria Carmen Lucas, Paul L. Orlove, Ben Pachauri, Shonali Parris, Tom M. Patwardhan, Anand Petersen, Arthur Preston, Benjamin L. Ribot, Jesse Rothman, Dale S. Schweizer, Vanessa J. TI Enhancing the relevance of Shared Socioeconomic Pathways for climate change impacts, adaptation and vulnerability research SO CLIMATIC CHANGE LA English DT Article ID GLOBAL ENVIRONMENTAL-CHANGE; EMISSIONS SCENARIOS; SPATIALLY EXPLICIT; SRES CLIMATE; LAND-USE; ASSESSMENTS; 21ST-CENTURY; PROJECTIONS; STORYLINES; INDICATORS AB This paper discusses the role and relevance of the shared socioeconomic pathways (SSPs) and the new scenarios that combine SSPs with representative concentration pathways (RCPs) for climate change impacts, adaptation, and vulnerability (IAV) research. It first provides an overview of uses of social-environmental scenarios in IAV studies and identifies the main shortcomings of earlier such scenarios. Second, the paper elaborates on two aspects of the SSPs and new scenarios that would improve their usefulness for IAV studies compared to earlier scenario sets: (i) enhancing their applicability while retaining coherence across spatial scales, and (ii) adding indicators of importance for projecting vulnerability. The paper therefore presents an agenda for future research, recommending that SSPs incorporate not only the standard variables of population and gross domestic product, but also indicators such as income distribution, spatial population, human health and governance. C1 [van Ruijven, Bas J.; Jones, Bryan; Schweizer, Vanessa J.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Levy, Marc A.] CIESIN, Palisades, NY USA. [Agrawal, Arun; Lemos, Maria Carmen] Univ Michigan, Ann Arbor, MI 48109 USA. [Biermann, Frank; Petersen, Arthur] Vrije Univ Amsterdam, IVM, Amsterdam, Netherlands. [Birkmann, Joern; Garschagen, Matthias] UNU EHS, Bonn, Germany. [Carter, Timothy R.] SYKE, Helsinki, Finland. [Ebi, Kristie L.] ClimAdapt LLC, Los Altos, CA USA. [Jones, Roger] Victoria Univ, Melbourne, Vic 8001, Australia. [Kemp-Benedict, Eric] SEI, Bangkok, Thailand. [Kok, Marcel; Lucas, Paul L.; Petersen, Arthur] PBL Netherlands Environm Assessment Agcy, Bilthoven, Netherlands. [Kok, Kasper] Wageningen Univ, NL-6700 AP Wageningen, Netherlands. [Orlove, Ben] Columbia Univ, New York, NY USA. [Pachauri, Shonali] IIASA, Laxenburg, Austria. [Parris, Tom M.] ISciences LLC, Burlington, VT USA. [Patwardhan, Anand] Univ Maryland, College Pk, MD 20742 USA. [Preston, Benjamin L.] ORNL, Oak Ridge, TN USA. [Ribot, Jesse] Univ Illinois, Urbana, IL 61801 USA. [Rothman, Dale S.] Univ Denver, Denver, CO USA. RP van Ruijven, BJ (reprint author), Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. EM vruijven@ucar.edu RI Jones, Roger/A-2880-2009; Preston, Benjamin/B-9001-2012; Biermann, Frank/D-4175-2013; Petersen, Arthur/B-7198-2009; van Ruijven, Bas/G-8106-2011; Agrawal, Arun/A-4257-2009; OI Jones, Roger/0000-0001-6970-2797; Preston, Benjamin/0000-0002-7966-2386; Biermann, Frank/0000-0002-0292-0703; Petersen, Arthur/0000-0003-0706-5635; van Ruijven, Bas/0000-0003-1232-5892; Agrawal, Arun/0000-0001-6796-2958; Lucas, Paul/0000-0003-0292-7830; Levy, Marc/0000-0002-1111-2222 NR 79 TC 17 Z9 17 U1 3 U2 58 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD FEB PY 2014 VL 122 IS 3 SI SI BP 481 EP 494 DI 10.1007/s10584-013-0931-0 PG 14 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AA3JS UT WOS:000330989300011 ER PT J AU Hensley, Z Sanyal, J New, J AF Hensley, Zachary Sanyal, Jibonananda New, Joshua TI Provenance in Sensor Data Management SO COMMUNICATIONS OF THE ACM LA English DT Article C1 [Hensley, Zachary] Tennessee Technol Univ, Cookeville, TN 38505 USA. [Sanyal, Jibonananda] Oak Ridge Natl Lab, Bldg Technol Res & Integrat Ctr, Oak Ridge, TN USA. [New, Joshua] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Hensley, Z (reprint author), Tennessee Technol Univ, Cookeville, TN 38505 USA. OI Sanyal, Jibonananda/0000-0002-7789-3199; New, Joshua/0000-0001-8015-0583 FU CPL-Peter Macko; Margo Seltzer of Harvard University; Department of Energy Building Technology Activity [RAEB006, EB3603000]; Edward Vineyard; U.S. Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC [DEAC05-00OR22725]; U.S. Department of Energy FX We thank the authors of CPL-Peter Macko and Margo Seltzer of Harvard University-for their support and guidance on the use of CPL during the project. This work was funded by fieldwork proposal RAEB006 under the Department of Energy Building Technology Activity Number EB3603000. We also thank Edward Vineyard for his support of this project.; Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. This manuscript has been authored by UT-Battelle, LLC, under Contract Number DEAC05-00OR22725 with the U.S. Department of Energy. The U. S. government retains and the publisher, by accepting the article for publication, acknowledges the U.S. government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U.S. government purposes. NR 9 TC 2 Z9 2 U1 0 U2 13 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0001-0782 EI 1557-7317 J9 COMMUN ACM JI Commun. ACM PD FEB PY 2014 VL 57 IS 2 BP 55 EP 62 DI 10.1145/2556647.2556657 PG 8 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA AA1NY UT WOS:000330864200020 ER PT J AU Coon, ET Porter, ML Kang, QJ AF Coon, Ethan T. Porter, Mark L. Kang, Qinjun TI Taxila LBM: a parallel, modular lattice Boltzmann framework for simulating pore-scale flow in porous media SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Pore-scale simulation; Lattice Boltzmann method; Software framework ID BOUNDARY-CONDITIONS; MULTIPHASE FLOW; LIQUID-GAS; MODEL; EQUATION AB The lattice Boltzmann method is a popular tool for pore-scale simulation of flow. This is likely due to the ease of including complex geometries such as porous media and representing multiphase and multifluid flows. Many advancements, including multiple relaxation times, increased isotropy, and others have improved the accuracy and physical fidelity of the method. Additionally, the lattice Bolzmann method is computationally very efficient, thanks to the explicit nature of the algorithm and relatively large amount of local work. The combination of many algorithmic options and efficiency means that a software framework enabling the usage and comparison of these advancements on computers from laptops to large clusters has much to offer. In this paper, we introduce Taxila LBM, an open-source software framework for lattice Boltzmann simulations. We discuss the design of the framework and lay out the features available, including both methods in the literature and a few new enhancements which generalize methods to complex geometries. We discuss the trade-off of accuracy and performance in various methods, noting how the Taxila LBM makes it easy to perform these comparisons for real problems. And finally, we demonstrate a few common applications in pore-scale simulation, including the characterization of permeability of a Berea sandstone and analysis of multifluid flow in heterogenous micromodels. C1 [Coon, Ethan T.; Porter, Mark L.; Kang, Qinjun] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Coon, ET (reprint author), Los Alamos Natl Lab, MS B284, Los Alamos, NM 87544 USA. EM ecoon@lanl.gov RI Porter, Mark/B-4417-2011; Kang, Qinjun/A-2585-2010 OI Kang, Qinjun/0000-0002-4754-2240 FU LANL LD-RD [20100025DR] FX The development of Taxila LBM has been supported by LANL LD-RD 20100025DR (Bill Carey, P.I.). Support for this work of both technical and academic nature was provided by J. David Moulton. Thanks go especially to Dorthe Wildenschild for the CMT data in Section 4.1. NR 22 TC 10 Z9 10 U1 1 U2 22 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD FEB PY 2014 VL 18 IS 1 BP 17 EP 27 DI 10.1007/s10596-013-9379-6 PG 11 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AA3KA UT WOS:000330990100003 ER PT J AU Westbrook, J Barter, GE Manley, DK West, TH AF Westbrook, Jessica Barter, Garrett E. Manley, Dawn K. West, Todd H. TI A parametric analysis of future ethanol use in the light-duty transportation sector: Can the US meet its Renewable Fuel Standard goals without an enforcement mechanism? SO ENERGY POLICY LA English DT Article DE Biofuels; Flex fuel vehicle; Renewable Fuel Standard; E85 ID UNITED-STATES; SWITCHGRASS; VEHICLES AB The modified Renewable Fuel Standard (RFS2) prescribes a volume of biofuels to be used in the United States transportation sector each year through 2022. As the dominant component of the transportation sector, we consider the feasibility of the light-duty vehicle (LDV) parc to provide enough demand for biofuels to satisfy RFS2. Sensitivity studies show that the fuel price differential between gasoline and ethanol blendstocks, such as E85, is the principal factor in LDV biofuel consumption. The numbers of flex fuel vehicles and biofuel refueling stations will grow given a favorable price differential. However, unless the feedstock price differential becomes extreme (biomass prices below $100 per dry ton and oil prices above $215 per barrel), which deviates from historical price trends, LDV parc biofuel consumption will fall short of the RFS2 mandate without an enforcement mechanism. Additionally, such commodity prices might increase biofuel consumption in the short-term, but discourage use of biofuels in the long-term as other technologies that do not rely on any gasoline blendstock may be preferable. Finally, the RFS2 program goals of reducing fossil fuel consumption and transportation greenhouse gas emissions could be achieved through other pathways, such as notable improvements in conventional vehicle efficiency. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Westbrook, Jessica; Barter, Garrett E.; Manley, Dawn K.; West, Todd H.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Barter, GE (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. EM garrett.barter@gmail.com FU Department of Energy [DE-PI0000012]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL-85000] FX This material is based upon work supported by the Department of Energy under Award number DE-PI0000012. 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-AC04-94AL-85000. NR 46 TC 6 Z9 6 U1 3 U2 16 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 EI 1873-6777 J9 ENERG POLICY JI Energy Policy PD FEB PY 2014 VL 65 BP 419 EP 431 DI 10.1016/j.enpol.2013.10.030 PG 13 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA AA0UV UT WOS:000330813800042 ER PT J AU Remis, JP Wei, DG Gorur, A Zemla, M Haraga, J Allen, S Witkowska, HE Costerton, JW Berleman, JE Auer, M AF Remis, Jonathan P. Wei, Dongguang Gorur, Amita Zemla, Marcin Haraga, Jessica Allen, Simon Witkowska, H. Ewa Costerton, J. William Berleman, James E. Auer, Manfred TI Bacterial social networks: structure and composition of Myxococcus xanthus outer membrane vesicle chains SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SHEWANELLA; NANOWIRES; VISUALIZATION; TOMOGRAPHY; BIOFILMS; SIGNALS; MR-1 C1 [Remis, Jonathan P.; Gorur, Amita; Zemla, Marcin; Berleman, James E.; Auer, Manfred] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94025 USA. [Wei, Dongguang] Carl Zeiss Microscopy LLC, Ion Microscopy Innovat Ctr, Peabody, MA 01960 USA. [Haraga, Jessica] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Allen, Simon; Witkowska, H. Ewa] Univ Calif San Francisco, Dept Obstet Gynecol & Reprod Sci, San Francisco, CA 94143 USA. [Costerton, J. William] Allegheny Singer Res Inst, Ctr Genom Sci, Pittsburgh, PA 15212 USA. [Berleman, James E.] St Marys Coll, Dept Biol, Moraga, CA 94556 USA. RP Auer, M (reprint author), Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94025 USA. EM mauer@lbl.gov FU Office of Biological and Environmental Research of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Office of Biological and Environmental Research of the US Department of Energy under contract number DE-AC02-05CH11231. We thank Drs Kent L. McDonald (UC Berkeley Electron Microscopy Laboratory), Kenneth H. Downing (Life Sciences Division, LBNL) and David Zusman (Department of Molecular and Cell Biology, UC Berkeley) for expert advice and insightful discussions. The technical help by Andrew Tauscher (LBNL) and Peter Benke (LBNL) is greatly appreciated. Thanks are also due to Drs Dave Ball and Hildur Palsdottir for advice and initial help with data acquisition. Tom Goddard (UCSF) provided invaluable assistance with image analysis and Fig. 2. NR 32 TC 35 Z9 35 U1 0 U2 34 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1462-2912 EI 1462-2920 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD FEB PY 2014 VL 16 IS 2 BP 598 EP 610 PG 13 WC Microbiology SC Microbiology GA AA5YD UT WOS:000331174800021 PM 23848955 ER PT J AU Celauro, JG Torrealba, VA Karpyn, ZT Klise, KA McKenna, SA AF Celauro, J. G. Torrealba, V. A. Karpyn, Z. T. Klise, K. A. McKenna, S. A. TI Pore-scale multiphase flow experiments in bead packs of variable wettability SO GEOFLUIDS LA English DT Article DE blob; computed microtomography; displacement; experiment; pore-scale; saturation; wettability ID OIL-RECOVERY; FLUID; NETWORK; DISPLACEMENT; DRAINAGE AB The aim of this experimental study is to investigate the impact of wetting characteristics on multiphase flow, sweep efficiency, and residual fluid distribution in unconsolidated porous media. A sequence of oil and water injections was performed on bead packs with uniform porosity and permeability, but different wettability characteristics. Uniform and mixed-wet bead packs with varying degree of wettability were fabricated to analyze how the residual saturation profiles and the distribution of fluid phases at the pore scale respond to changes in wettability. X-ray microtomography was used to visualize and analyze the fluid distribution in each bead pack at the end of oil and brine injection. It was found that sweep efficiency was high for the uniform, strongly wetting glass bead pack. For the intermediate-wet plastic bead pack, we observed evidence of viscous fingering resulting in degenerating sweep efficiency after water injection. In media with mixed wetting surfaces, the spatial distribution of wettability influenced the topology of the saturation profiles and resulted in larger quantities of disconnected fluid blobs. Results also showed that the average blob size was independent of the average residual saturation. In addition, the difference in saturation conditions preceding each injection affected sweep efficiency. The residual saturation after the 1st displacement was higher than the residual saturation after the 2nd displacement. C1 [Celauro, J. G.; Torrealba, V. A.; Karpyn, Z. T.] Penn State Univ, John & Willie Leone Family Dept Energy & Mineral, University Pk, PA 16802 USA. [Celauro, J. G.; Torrealba, V. A.; Karpyn, Z. T.] Penn State Univ, EMS Energy Inst, University Pk, PA 16802 USA. [Klise, K. A.; McKenna, S. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Karpyn, ZT (reprint author), Penn State Univ, John & Willie Leone Family Dept Energy & Mineral, 151 Hosler Bldg, University Pk, PA 16802 USA. EM ZKarpyn@psu.edu FU Department of Energy DOE-BES [DE-SC0006883]; Bunton-Waller Scholarship Fund; John and Willie Leone Family Department of Energy and Mineral Engineering; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to acknowledge the financial support of the Department of Energy DOE-BES (DE-SC0006883), the Bunton-Waller Scholarship Fund and the John and Willie Leone Family Department of Energy and Mineral Engineering. We also thank Dr. Phillip Halleck for the valuable discussions and technical support. 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 28 TC 3 Z9 3 U1 2 U2 24 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1468-8115 EI 1468-8123 J9 GEOFLUIDS JI Geofluids PD FEB PY 2014 VL 14 IS 1 BP 95 EP 105 DI 10.1111/gfl.12045 PG 11 WC Geochemistry & Geophysics; Geology SC Geochemistry & Geophysics; Geology GA AA5LO UT WOS:000331140700006 ER PT J AU Ma, HY Xie, S Klein, SA Williams, KD Boyle, JS Bony, S Douville, H Fermepin, S Medeiros, B Tyteca, S Watanabe, M Williamson, D AF Ma, H. -Y. Xie, S. Klein, S. A. Williams, K. D. Boyle, J. S. Bony, S. Douville, H. Fermepin, S. Medeiros, B. Tyteca, S. Watanabe, M. Williamson, D. TI On the Correspondence between Mean Forecast Errors and Climate Errors in CMIP5 Models SO JOURNAL OF CLIMATE LA English DT Article DE Climate models; Model comparison; Model errors; Model evaluation; performance ID COMMUNITY-ATMOSPHERE-MODEL; SOUTHEAST PACIFIC STRATOCUMULUS; OFFICE UNIFIED MODEL; WEATHER PREDICTION; SYSTEMATIC-ERRORS; CLOUD BIASES; CONFIGURATION; SIMULATIONS; PERFORMANCE; ISCCP AB The present study examines the correspondence between short- and long-term systematic errors in five atmospheric models by comparing the 16 five-day hindcast ensembles from the Transpose Atmospheric Model Intercomparison Project II (Transpose-AMIP II) for July-August 2009 (short term) to the climate simulations from phase 5 of the Coupled Model Intercomparison Project (CMIP5) and AMIP for the June-August mean conditions of the years of 1979-2008 (long term). Because the short-term hindcasts were conducted with identical climate models used in the CMIP5/AMIP simulations, one can diagnose over what time scale systematic errors in these climate simulations develop, thus yielding insights into their origin through a seamless modeling approach.The analysis suggests that most systematic errors of precipitation, clouds, and radiation processes in the long-term climate runs are present by day 5 in ensemble average hindcasts in all models. Errors typically saturate after few days of hindcasts with amplitudes comparable to the climate errors, and the impacts of initial conditions on the simulated ensemble mean errors are relatively small. This robust bias correspondence suggests that these systematic errors across different models likely are initiated by model parameterizations since the atmospheric large-scale states remain close to observations in the first 2-3 days. However, biases associated with model physics can have impacts on the large-scale states by day 5, such as zonal winds, 2-m temperature, and sea level pressure, and the analysis further indicates a good correspondence between short- and long-term biases for these large-scale states. Therefore, improving individual model parameterizations in the hindcast mode could lead to the improvement of most climate models in simulating their climate mean state and potentially their future projections. C1 [Ma, H. -Y.; Xie, S.; Klein, S. A.; Boyle, J. S.] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94551 USA. [Williams, K. D.] Met Off, Exeter, Devon, England. [Bony, S.; Fermepin, S.] Inst Pierre Simon Laplace, Paris, France. [Douville, H.; Tyteca, S.] CNRS GAME, Meteofrance CNRM, Toulouse, France. [Medeiros, B.; Williamson, D.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Watanabe, M.] Univ Tokyo, Atmosphere & Ocean Res Inst, Tokyo, Japan. RP Ma, HY (reprint author), Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Mail Code L-103,7000 East Ave, Livermore, CA 94551 USA. EM ma21@llnl.gov RI Ma, Hsi-Yen/K-1019-2013; Medeiros, Brian/A-3695-2009; Xie, Shaocheng/D-2207-2013; Klein, Stephen/H-4337-2016 OI Medeiros, Brian/0000-0003-2188-4784; Xie, Shaocheng/0000-0001-8931-5145; Klein, Stephen/0000-0002-5476-858X FU Regional and Global Climate Modeling and Atmospheric System Research programs of the U.S. Department of Energy as part of the Cloud-Associated Parameterizations Testbed; U.S. Department of Energy by LLNL [DE-AC52-07NA27344]; European project EUCLIPSE [244067]; Office of Science (BER), U.S. Department of Energy [DE-FC02-97ER62402] FX We are grateful to the ECMWF for making their operational analyses available. The efforts of H.-Y. Ma, S. Xie, S. A. Klein, and J. S. Boyle were funded by the Regional and Global Climate Modeling and Atmospheric System Research programs of the U.S. Department of Energy as part of the Cloud-Associated Parameterizations Testbed. This work was performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344. The TAMIP work by S. Bony and S. Fermepin was supported by the FP7-ENV-2009-1 European project EUCLIPSE (#244067). The efforts of B. Medeiros and D. Williamson were partially supported by the Office of Science (BER), U.S. Department of Energy, Cooperative Agreement DE-FC02-97ER62402. NR 43 TC 18 Z9 18 U1 3 U2 25 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD FEB PY 2014 VL 27 IS 4 BP 1781 EP 1798 DI 10.1175/JCLI-D-13-00474.1 PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AA0VS UT WOS:000330816100025 ER PT J AU Collins, ES Gesner, JP Pantoya, ML Daniels, MA AF Collins, Eric S. Gesner, Jeffery P. Pantoya, Michelle L. Daniels, Michael A. TI Synthesizing aluminum particles towards controlling electrostatic discharge ignition sensitivity SO JOURNAL OF ELECTROSTATICS LA English DT Article DE Aluminum oxidation; Joule heating; Electrostatic discharge; Energetic materials; Ignition delay; Electrical conductivity ID NANOCOMPOSITE THERMITES AB Aluminum particles were synthesized with shell thicknesses ranging from 2.7 to 8.3 nm and a constant diameter of 95 nm. These fuel particles were combined with molybdenum trioxide particles and the electrostatic discharge (ESD) sensitivity of the mixture was measured. Results show ignition delay increased as the alumina shell thickness increased. These results correlated with electrical resistivity measurements of the mixture which increased with alumina concentration. A model was developed using COMSOL for ignition of a single Al particle. The ignition delay in the model was consistent with the experimental results suggesting that the primary ESD ignition mechanism is joule heating. (C) 2013 Elsevier B.V. All rights reserved. C1 [Collins, Eric S.; Gesner, Jeffery P.; Pantoya, Michelle L.] Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA. [Daniels, Michael A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Pantoya, ML (reprint author), Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA. EM mpantoya@gmail.com FU Army Research Office [W911NF-11-1-0439]; Idaho National Laboratory via the LDRD program FX The authors M. Pantoya and E. Collins are grateful for support from the Army Research Office contract number W911NF-11-1-0439 and encouragement from our program manager, Dr. Ralph Anthenien. Idaho National Laboratory is also gratefully acknowledged for supporting this collaborative work with internal funds via the LDRD program. NR 12 TC 3 Z9 3 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3886 EI 1873-5738 J9 J ELECTROSTAT JI J. Electrost. PD FEB PY 2014 VL 72 IS 1 BP 28 EP 32 DI 10.1016/j.elstat.2013.11.002 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA AA5RY UT WOS:000331158500005 ER PT J AU Barenblatt, GI Monteiro, PJM Rycroft, CH AF Barenblatt, G. I. Monteiro, P. J. M. Rycroft, C. H. TI On a boundary layer problem related to the gas flow in shales SO JOURNAL OF ENGINEERING MATHEMATICS LA English DT Article DE Porous media; Subterranean fluid mechanics AB The development of gas deposits in shales has become a significant energy resource. Despite the already active exploitation of such deposits, a mathematical model for gas flow in shales does not exist. Such a model is crucial for optimizing the technology of gas recovery. In the present article, a boundary layer problem is formulated and investigated with respect to gas recovery from porous low-permeability inclusions in shales, which are the basic source of gas. Milton Van Dyke was a great master in the field of boundary layer problems. Dedicating this work to his memory, we want to express our belief that Van Dyke's profound ideas and fundamental book Perturbation Methods in Fluid Mechanics (Parabolic Press, 1975) will live on-also in fields very far from the subjects for which they were originally invented. C1 [Barenblatt, G. I.; Rycroft, C. H.] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. [Barenblatt, G. I.; Rycroft, C. H.] Lawrence Berkeley Natl Lab, Dept Math, Berkeley, CA 94720 USA. [Barenblatt, G. I.] Russian Acad Sci, Inst Oceanol, Moscow 119997, Russia. [Monteiro, P. J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. RP Rycroft, CH (reprint author), Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. EM chr@math.berkeley.edu OI Rycroft, Chris/0000-0003-4677-6990 FU King Abdullah University of Science and Technology [KUS-I1-004021]; Office of Science, Computational and Technology Research, U.S. Department of Energy [DE-AC02-05CH11231] FX The authors express their special gratitude to Dmitriy B. Silin, whose work and presentations motivated our study. This publication was based on the work supported in part by Award No. KUS-I1-004021, made by King Abdullah University of Science and Technology. G. I. B. and C. H. R. were partially supported by the Director, Office of Science, Computational and Technology Research, U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 6 TC 1 Z9 1 U1 0 U2 21 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0022-0833 EI 1573-2703 J9 J ENG MATH JI J. Eng. Math. PD FEB PY 2014 VL 84 IS 1 SI SI BP 11 EP 18 DI 10.1007/s10665-012-9612-7 PG 8 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA AA2WN UT WOS:000330955000003 ER PT J AU Balasubramanian, K AF Balasubramanian, Krishnan TI Generalization of the Harary-Palmer power group theorem to all irreducible representations of object and color groups- color combinatorial group theory SO JOURNAL OF MATHEMATICAL CHEMISTRY LA English DT Article DE Power group enumeration to all irreducible representations; Harary-Palmer; Combinatorial group theory; Color symmetry; NMR; Magnetism; Quantum chromodynamics ID NUCLEAR-SPIN STATISTICS; NONRIGID MOLECULES; NMR-SPECTROSCOPY; ALGEBRAIC METHODS; SYMMETRY GROUPS; JAHN-TELLER; ENUMERATION; GENERATION; WEIGHTS; CHEMISTRY AB The Harary-Palmer classic power group enumeration theorem applies to a group G acting on a set D of objects such as vertices, edges, faces and simultaneously with a group H acting on another set R of colors such that the power group H-G acts on the set R-D of all functions from D to R. In this paper we show for the first time that the power group enumeration can be generalized to all irreducible representations of the object group G of D and also all irreducible representations of the color group H of R. We have also provided interpretation of various power group generating functions for different irreducible representations in the context of color symmetry group theory. Special cases of the power group enumeration with all irreducible representations of G keeping the color group representation fixed to the totally symmetric representation are shown to have important enumerative combinatorial applications in a number of problems of chemistry, physics and biology that involve color symmetry (color inversions) such as magnetism, neutron imaging, NMR, ESR spectroscopy, catalytic functions of non-rigid disordered proteins, and quantum chromodynamics of strong interactions of fundamental particles. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Balasubramanian, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM kbalasubramanian@lbl.gov NR 74 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0259-9791 EI 1572-8897 J9 J MATH CHEM JI J. Math. Chem. PD FEB PY 2014 VL 52 IS 2 BP 703 EP 728 DI 10.1007/s10910-013-0290-0 PG 26 WC Chemistry, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Chemistry; Mathematics GA AA3CD UT WOS:000330969600019 ER PT J AU Kim, WK Luskin, M Perez, D Voter, AF Tadmor, EB AF Kim, W. K. Luskin, M. Perez, D. Voter, A. F. Tadmor, E. B. TI Hyper-QC: An accelerated finite-temperature quasicontinuum method using hyperdynamics SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE Fracture; Constitutive behavior; Finite elements; Probability and statistics; Multiscale methods ID MOLECULAR-DYNAMICS SIMULATION; INFREQUENT EVENTS; MECHANICS; SCALE AB The quasicontinuum (QC) method is a spatial multiscale method that extends the length scales accessible to fully atomistic simulations (like molecular dynamics (MD)) by several orders of magnitude. While the recent development of the so-called "hot-QC method" enables dynamic simulations at finite temperature, the times accessible to these simulations remain limited to the sub-microsecond time scale due to the small time step required for stability of the numerical integration. To address this limitation, we develop a novel finite-temperature QC method that can treat much longer time scales by coupling the hot-QC method with hyperdynamics a method for accelerating time in MD simulations. We refer to the new approach as "hyper-QC". As in the original hyperdynamics method, hyper-QC is targeted at dynamical systems that exhibit a separation of time scales between short atomic vibration periods and long waiting times in metastable states. Acceleration is achieved by modifying the hot-QC potential energy to reduce the energy barriers between metastable states in a manner that ensures that the characteristic dynamics of the system are preserved. First, the high accuracy of hot-QC in reproducing rare event kinetics is demonstrated. Then, the hyper-QC methodology is validated by comparing hyper-QC results with those of hot-QC and full MD for a one-dimensional chain of atoms interacting via a Lennard-Jones potential. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Kim, W. K.; Tadmor, E. B.] Univ Minnesota, Dept Aerosp Engn & Mech, Minneapolis, MN 55455 USA. [Luskin, M.] Univ Minnesota, Sch Math, Minneapolis, MN 55455 USA. [Perez, D.; Voter, A. F.] Los Alamos Natl Lab, Theoret Div T1, Los Alamos, NM USA. RP Tadmor, EB (reprint author), Univ Minnesota, Dept Aerosp Engn & Mech, Minneapolis, MN 55455 USA. EM wkkim@umn.edu; luskin@umn.edu; danny_perez@lanl.gov; afv@lanl.gov; tadmor@aem.umn.edu FU U.S. Department of Energy [DE-SC0002085]; Office of Science, Office of Advanced Scientific Computing Research; National Nuclear Security Administration of the U.S. DOE [DE-AC52-06NA25396] FX This work was supported in part by the U.S. Department of Energy under Award Number DE-SC0002085. Work at Los Alamos National Laboratory (LANL) was funded by the Office of Science, Office of Advanced Scientific Computing Research. 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 27 TC 7 Z9 7 U1 2 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-5096 EI 1873-4782 J9 J MECH PHYS SOLIDS JI J. Mech. Phys. Solids PD FEB PY 2014 VL 63 BP 94 EP 112 DI 10.1016/j.jmps.2013.10.001 PG 19 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA AA3QH UT WOS:000331006900007 ER PT J AU Long, KN AF Long, Kevin N. TI The mechanics of network polymers with thermally reversible linkages SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE Active polymer; Dynamic bond; Encapsulation; Diels-Alder chemistry; Constitutive model ID NONLINEAR VISCOELASTIC APPROACH; DIELS-ALDER ADDUCTS; CROSS-LINKING; THERMODYNAMICALLY CONSISTENT; MOLECULAR-DYNAMICS; GLASSY-POLYMERS; CURE; SIMULATIONS; BEHAVIOR; STRESS AB Network polymers with thermally reversible linkages include functionalities that continuously break and form covalent bonds. These processes dynamically change the network connectivity, which produces three distinct behaviors compared with conventional thermosetting polymers (in which the network connectivity is static): permanent shape evolution in the rubbery state; dependence of the number density of chains and associated thermal and mechanical properties on temperature and chemical composition; and a gel-point transition temperature above which the connectivity of the network falls below the percolation threshold, and the material response changes from a solid to liquid. This last property allows such materials to be non-mechanically removed, which is an attractive material capability for encapsulation in specialized electronics packaging applications wherein system maintenance is required. Given their complex, multiphysics behavior, appropriate simulation tools are needed to aid in their use. To meet this need, a thermodynamically consistent constitutive model is developed that accounts for the thermal-chemical-mechanical behavior of such materials. This model includes a representation for the permanent shape evolution that accompanies the dynamic network connectivity as well as non-equilibrium viscoelastic behavior to represent the material's glassy response. Analytic solutions in the rubbery state are derived to show the effects of competing time scales in the material, and the model is calibrated and validated against experimental data published in the literature. Finally, simple encapsulation scenarios are examined that demonstrate a substantial difference in behavior between conventional polymer networks and those with thermally reversible linkages under thermal-mechanical cycling. (C) 2013 Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Dept Solid Mech, Albuquerque, NM 87185 USA. RP Long, KN (reprint author), Sandia Natl Labs, Dept Solid Mech, POB 5800, Albuquerque, NM 87185 USA. EM knlong@sandia.gov FU Early Career Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The author is grateful for the many important discussions with William Scherzinger, David Wheeler, James Aubert, and Robert Chambers that helped shape this work. This work was supported under and Early Career Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 40 TC 6 Z9 6 U1 5 U2 56 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-5096 EI 1873-4782 J9 J MECH PHYS SOLIDS JI J. Mech. Phys. Solids PD FEB PY 2014 VL 63 BP 386 EP 411 DI 10.1016/j.jmps.2013.08.017 PG 26 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA AA3QH UT WOS:000331006900025 ER PT J AU Reedlunn, B Churchill, CB Nelson, EE Shaw, JA Daly, SH AF Reedlunn, Benjamin Churchill, Christopher B. Nelson, Emily E. Shaw, John A. Daly, Samantha H. TI Tension, compression, and bending of superelastic shape memory alloy tubes SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE Phase transformation; Beams and columns; Constitutive behavior; Finite deflections; Stability and bifurcation ID PHASE-TRANSFORMATION FRONTS; POLYCRYSTALLINE NITI; PSEUDOELASTIC BEHAVIOR; SINGLE-CRYSTAL; AT.PERCENT-NI; X-RAY; DEFORMATION; STRAIN; BEAMS; WIRE AB While many uniaxial tension experiments of shape memory alloys (SMAs) have been published in the literature, relatively few experimental studies address their behavior in compression or bending, despite the prevalence of this latter deformation mode in applications. In this study, superelastic NiTi tubes from a single lot of material were characterized in tension, compression, and pure bending, which allowed us to make direct comparisons between the deformation modes for the first time. Custom built fixtures were used to overcome some long-standing experimental difficulties with performing well-controlled loading and accurate measurements during uniaxial compression (avoiding buckling) and large-rotation bending. In all experiments, the isothermal, global, mechanical responses were measured, and stereo digital image correlation (DIC) was used to measure the evolution of the strain fields on the tube's outer surface. As is characteristic of textured NiTi, our tubes exhibited significant tension-compression asymmetry in their uniaxial responses. Stress-induced transformations in tension exhibited flat force plateaus accompanied by strain localization and propagation. No such localization, however, was observed in compression, and the stress "plateaus" during compression always maintained a positive tangent modulus. While our uniaxial results are similar to the observations of previous researchers, the DIC strain measurements provided details of localized strain behavior with more clarity and allowed more quantitative measurements to be made. Consistent with the tension-compression asymmetry, our bending experiments showed a significant shift of the neutral axis towards the compression side. Furthermore, the tube exhibited strain localization on the tension side, but no localization on the compression side during bending. This is a new observation that has not been explored before. Detailed analysis of the strain distribution across the tube diameter revealed that the traditional assumption of elementary beam theory, that plane sections remain plane, does not hold. Yet when the strain was averaged over a few diameters of axial length, the tensile and compressive responses input into elementary beam theory predicted the global bending response with reasonable accuracy. While it is encouraging that a simple model could predict the moment-curvature response, we recommend that beam theory be used with caution. The averaged strain field can under/over predict local strains by as much as two-fold due to the localized deformation morphology. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Reedlunn, Benjamin] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Churchill, Christopher B.] HRL Labs, Malibu, CA 90265 USA. [Nelson, Emily E.] Univ Michigan, Dept Biomed Engn, Ann Arbor, MI 48109 USA. [Daly, Samantha H.] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. [Daly, Samantha H.] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. [Shaw, John A.] Univ Michigan, Dept Aerosp Engn, Ann Arbor, MI 48109 USA. RP Reedlunn, B (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM breedlu@sandia.gov OI Churchill, Christopher/0000-0002-2976-3146; Daly, Samantha/0000-0002-7297-1696 FU General Motors Company (through the GM/UM Collaborative Research Laboratory in Smart Materials and Structures); National Science Foundation [CMMI-0727331]; US Department of Energy, Office of Basic Energy Sciences [DE-SC0003996] FX We gratefully acknowledge the financial support for this work, provided by General Motors Company (through the GM/UM Collaborative Research Laboratory in Smart Materials and Structures), the National Science Foundation (Grant CMMI-0727331), and the US Department of Energy, Office of Basic Energy Sciences (Contract no. DE-SC0003996 monitored by Dr. John Vetrano). Our thanks go Prof. Kenneth Gall (Georgia Institute of Technology), Jeff Tyber (Tyber Medical LLC), and Hans Jurgen Maier (University of Hannover) for their assistance with obtaining the X-ray texture map of Fig. 8(b) on our NiTi tube specimens. We also appreciate the responsive help by Dr. Hubert Scheirer and other personnel at Correlated Solutions, Inc., who incorporated the Biot Strain into Vic-3D at our request. NR 53 TC 36 Z9 37 U1 15 U2 51 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-5096 EI 1873-4782 J9 J MECH PHYS SOLIDS JI J. Mech. Phys. Solids PD FEB PY 2014 VL 63 BP 506 EP 537 DI 10.1016/j.jmps.2012.12.012 PG 32 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA AA3QH UT WOS:000331006900031 ER PT J AU Elardo, SM Shearer, CK Fagan, AL Borg, LE Gaffney, AM Burger, PV Neal, CR Fernandes, VA McCubbin, FM AF Elardo, Stephen M. Shearer, Charles K., Jr. Fagan, Amy L. Borg, Lars E. Gaffney, Amy M. Burger, Paul V. Neal, Clive R. Fernandes, Vera A. McCubbin, Francis M. TI The origin of young mare basalts inferred from lunar meteorites Northwest Africa 4734, 032, and LaPaz Icefield 02205 SO METEORITICS & PLANETARY SCIENCE LA English DT Article ID RB-SR AGES; ELECTRON-MICROPROBE ANALYSIS; LASER ARGON-40-ARGON-39 AGE; MILLER RANGE 05035; APOLLO 12 SITE; U-TH-PB; SM-ND; ISOTOPIC SYSTEMATICS; TRACE-ELEMENT; MAGMATIC EVOLUTION AB Northwest Africa (NWA) 4734 is an unbrecciated basaltic lunar meteorite that is nearly identical in chemical composition to basaltic lunar meteorites NWA 032 and LaPaz Icefield (LAP) 02205. We have conducted a geochemical, petrologic, mineralogic, and Sm-Nd, Rb-Sr, and Ar-Ar isotopic study of these meteorites to constrain their petrologic relationships and the origin of young mare basalts. NWA 4734 is a low-Ti mare basalt with a low Mg* (36.5) and elevated abundances of incompatible trace elements (e.g., 2.00ppm Th). The Sm-Nd isotope system dates NWA 4734 with an isochron age of 3024 +/- 27Ma, an initial epsilon(Nd) of +0.88 +/- 0.20, and a source region Sm-147/Nd-144 of 0.201 +/- 0.001. The crystallization age of NWA 4734 is concordant with those of LAP 02205 and NWA 032. NWA 4734 and LAP 02205 have very similar bulk compositions, mineral compositions, textures, and ages. Their source region Sm-147/Nd-144 values indicate that they are derived from similar, but distinct, source materials. They probably do not sample the same lava flow, but rather are similarly sourced, but isotopically distinct, lavas that probably originate from the same volcanic complex. They may have experienced slightly different assimilation histories in route to eruption, but can be source-crater paired. NWA 032 remains enigmatic, as its source region Sm-147/Nd-144 definitively precludes a simple relationship with NWA 4734 and LAP 02205, despite a similar bulk composition. Their high Ti/Sm, low (La/Yb)(N), and Cl-poor apatite compositions rule out the direct involvement of KREEP. Rather, they are consistent with low-degree partial melting of late-formed LMO cumulates, and indicate that the geochemical characteristics attributed to urKREEP are not unique to that reservoir. These and other basaltic meteorites indicate that the youngest mare basalts originate from multiple sources, and suggest that KREEP is not a prerequisite for the most recent known melting in the Moon. C1 [Elardo, Stephen M.; Shearer, Charles K., Jr.; Burger, Paul V.; McCubbin, Francis M.] Univ New Mexico, Dept Earth & Planetary Sci, Inst Meteorit, Albuquerque, NM 87131 USA. [Fagan, Amy L.; Neal, Clive R.] Univ Notre Dame, Dept Civil & Environm Engn & Earth Sci, Notre Dame, IN 46556 USA. [Fagan, Amy L.] USRA, Lunar & Planetary Inst, Houston, TX 77058 USA. [Borg, Lars E.; Gaffney, Amy M.] Lawrence Livermore Natl Lab, Div Chem Sci, Livermore, CA 94550 USA. [Fernandes, Vera A.] Leibniz Inst Evolut & Biodiversitatsforsch, Museum Nat Kunde Berlin, D-10115 Berlin, Germany. RP Elardo, SM (reprint author), Univ New Mexico, Dept Earth & Planetary Sci, Inst Meteorit, Albuquerque, NM 87131 USA. EM selardo@unm.edu RI Elardo, Stephen/E-5865-2010; Fernandes, Vera/B-4653-2013; Gaffney, Amy/F-8423-2014 OI Fernandes, Vera/0000-0003-0848-9229; Gaffney, Amy/0000-0001-5714-0029 FU NASA Earth and Space Science Fellowship [NNX12AO15H]; NASA [NNX10AI77G, NNX09AB92G]; U.S. D.O.E. by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Lunar Advanced Science and Exploration Research (LASER) [NNX13AK32G]; Ann and Gordon Getty Foundation; NM Space Grant Consortium FX We thank Tony Irving and Stefan Ralew for kindly providing samples of NWA 4734 for isotopic analyses, Mike Spilde for assistance with thin section scale WDS mapping, Tim Teague for sample mounting, Kent Ross for assistance during EMPA work for Ar-Ar analyses, Tim Becker for keeping the mass spectrometers at BGC healthy, the Meteorite Working Group at NASA JSC for allocating us samples of the LAP meteorites, the IOM Meteorite Collection for samples of NWA 4734, and Jim Papike and James Day for many helpful discussions. We also thank Ryan Zeigler and an anonymous reviewer for comments that substantively improved this manuscript, and Randy Korotev for his work and comments as AE. This work was funded by NASA Earth and Space Science Fellowship NNX12AO15H to S.M.E. and NASA Cosmochemistry grants NNX10AI77G to C.K.S. and NNX09AB92G to C.R.N. A portion of this work was performed under the auspices of the U.S. D.O.E. by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. F.M. M. acknowledges support from Lunar Advanced Science and Exploration Research (LASER) grant NNX13AK32G, and V.A.F. acknowledges support from the Ann and Gordon Getty Foundation while a Postdoctoral Research Fellow at the BGC. In addition, S.M.E. gratefully acknowledges support from a graduate fellowship from the NM Space Grant Consortium. This research has made use of NASA's Astrophysics Data System. NR 152 TC 12 Z9 12 U1 1 U2 16 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1086-9379 EI 1945-5100 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD FEB PY 2014 VL 49 IS 2 BP 261 EP 291 DI 10.1111/maps.12239 PG 31 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AA6FH UT WOS:000331193700009 ER PT J AU Park, YS Bae, WK Padilha, LA Pietryga, JM Klimov, VI AF Park, Young-Shin Bae, Wan Ki Padilha, Lazaro A. Pietryga, Jeffrey M. Klimov, Victor I. TI Effect of the Core/Shell Interface on Auger Recombination Evaluated by Single-Quantum-Dot Spectroscopy SO NANO LETTERS LA English DT Article DE Semiconductor nanocrystal; quantum dot; core/shell; alloyed interface; biexciton; Auger recombination; second-order intensity correlation function ID CADMIUM SELENIDE NANOCRYSTALS; CORE-SHELL INTERFACE; SEMICONDUCTOR NANOCRYSTALS; OPTICAL GAIN; BLINKING; SUPPRESSION; FLUORESCENCE; TEMPERATURE; EMISSION; DYNAMICS AB Previous single-particle spectroscopic studies of colloidal quantum dots have indicated a significant spread in biexciton lifetimes across an ensemble of nominally identical nanocrystals. It has been speculated that in addition to dot-to-dot variation in physical dimensions, this spread is contributed to by variations in the structure of the quantum dot interface, which controls the shape of the confinement potential. Here, we directly evaluate the effect of the composition of the core-shell interface on single- and multiexciton dynamics via side-by-side measurements of individual core-shell CdSe/CdS nanocrystals with a sharp versus smooth (graded) interface. To realize the latter type of structures we incorporate a CdSexSi1-x alloy layer of controlled composition and thickness between the CdSe core and the CdS shell. We observe that while having essentially no effect on single-exciton decay, the interfacial alloy layer leads to a systematic increase in biexciton lifetimes, which correlates with the increase in the biexciton emission efficiency, as inferred from two-photon correlation measurements. These observations provide direct experimental evidence that in addition to the size of the quantum dot, its interfacial properties also significantly affect the rate of Auger recombination, which governs biexciton decay. These findings help rationalize previous observations of a significant heterogeneity in the biexciton lifetimes across similarly sized quantum dots and should facilitate the development of "Auger-recombination-free" colloidal nanostructures for a range of applications from lasers and light-emitting diodes to photodetectors and solar cells. C1 [Park, Young-Shin; Bae, Wan Ki; Padilha, Lazaro A.; Pietryga, Jeffrey M.; Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Klimov, VI (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM klimov@lanl.gov RI Padilha, Lazaro/G-1523-2013; OI Park, Young-Shin/0000-0003-4204-1305; Klimov, Victor/0000-0003-1158-3179 FU Chemical Sciences, Biosciences and Geosciences Division of Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy FX This work was supported by the Chemical Sciences, Biosciences and Geosciences Division of Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy. NR 35 TC 56 Z9 56 U1 15 U2 167 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 396 EP 402 DI 10.1021/nl403289w 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 AA8KH UT WOS:000331343900002 PM 24397307 ER PT J AU Kim, KT Ali, G Chung, KY Yoon, CS Yashiro, H Sun, YK Lu, J Amine, K Myung, ST AF Kim, Ki-Tae Ali, Ghulam Chung, Kung Yoon Yoon, Chong Seung Yashiro, Hitoshi Sun, Yang-Kook Lu, Jun Amine, Khalil Myung, Seung-Taek TI Anatase Titania Nanorods as an Intercalation Anode Material for Rechargeable Sodium Batteries SO NANO LETTERS LA English DT Article DE Natase TiO2; nanorods; carbon coating; intercalation; anode; sodium battery ID NA-ION BATTERIES; NANOSTRUCTURED TIO2; RUTILE; TIN; NANOCOMPOSITES; ELECTROLYTE; STORAGE; CATHODE; OXIDE; LI AB For the first time, we report the electrochemical activity of anatase TiO2 nanorods in a Na cell. The anatase TiO2 nanorods were synthesized by a hydrothermal method, and their surfaces were coated by carbon to improve the electric conductivity through carbonization of pitch at 700 degrees C for 2 h in Ar flow. The resulting structure does not change before and after the carbon coating, as confirmed by X-ray diffraction (XRD). Transmission electron microscopic images confirm the presence of a carbon coating on the anatase TiO2 nanorods. In cell tests, anodes of bare and carbon-coated anatase TiO2 nanorods exhibit stable cycling performance and attain a capacity of about 172 and 193 mAh g(-1) on the first charge; respectively, in the voltage range of 3-0 V. With the help of the conductive carbon layers, the carbon-coated anatase TiO2 delivers more capacity at high rates, 104 mAh g(-1) at the 10 C-rate (3.3 A g(-1)), 82 mAh g(-1) at the 30 C-rate (10 A g(-1)), and 53 mAh g(-1) at the 100 C-rate (33 A g(-1)). By contrast, the anode of bare anatase TiO2 nanorods delivers only about 38 mAh g(-1) at the 10 C-rate (3.3 A g(-1)). The excellent cyclability and high-rate capability are the result of a Na+ insertion and extraction reaction into the host structure coupled with Ti4+/3+ redox reaction, as revealed by X-ray absorption spectroscopy. C1 [Kim, Ki-Tae; Myung, Seung-Taek] Sejong Univ, Dept Nano Engn, Seoul 143747, South Korea. [Ali, Ghulam; Chung, Kung Yoon] Korea Inst Sci & Technol, Ctr Energy Convergence, Seoul 136791, South Korea. [Yoon, Chong Seung] Hanyang Univ, Dept Mat Sci & Engn, Seoul 133791, South Korea. [Yashiro, Hitoshi] Iwate Univ, Dept Chem Engn, Morioka, Iwate 0208551, Japan. [Sun, Yang-Kook] Hanyang Univ, Dept Energy Engn, Seoul 133791, South Korea. [Sun, Yang-Kook; Amine, Khalil] King Abdulaziz Univ, Dept Chem, Fac Sci, Jeddah 22254, Saudi Arabia. [Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. RP Sun, YK (reprint author), Hanyang Univ, Dept Energy Engn, Seoul 133791, South Korea. EM yksun@hanyang.ac.kr; amine@anl.gov; smyung@sejong.ac.kr RI Chung, Kyung Yoon/E-4646-2011; OI Chung, Kyung Yoon/0000-0002-1273-746X; Myung, Seung-Taek/0000-0001-6888-5376 FU Basic Science Research Program through National Research Foundation of Korea (NRF); Ministry of Education, Science and Technology [2011-0024683]; Human Resources Development program of Korea Institute of Energy Technology Evaluation and Planning (KETEP) [20124010203310]; Korea government Ministry of Trade, Industry, and Energy; National Research Foundation of Korea; Korean government (MEST) [NRF-2009-C1AAA001-0093307]; U.S. Department of Energy [DE-AC0206CH11357]; Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE); Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Award under the EERE FX This research was partly supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF), funded by the Ministry of Education, Science and Technology (2011-0024683), the Human Resources Development program (No. 20124010203310) of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) grant funded by the Korea government Ministry of Trade, Industry, and Energy, and a grant from the National Research Foundation of Korea and funded by the Korean government (MEST) (NRF-2009-C1AAA001-0093307). This work was also supported by the U.S. Department of Energy under Contract DE-AC0206CH11357 with the main support provided by the Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE). J.L. was supported by the Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Award under the EERE. Vehicles Technology Program administered by the Oak Ridge Institute for Science and Education (ORISE) for the DOE. NR 27 TC 144 Z9 144 U1 36 U2 306 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 416 EP 422 DI 10.1021/nl402747x 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 AA8KH UT WOS:000331343900004 PM 24400876 ER PT J AU Gong, YJ Liu, Z Lupini, AR Shi, G Lin, JH Najmaei, S Lin, Z Elias, AL Berkdemir, A You, G Terrones, H Terrones, M Vajtai, R Pantelides, ST Pennycook, SJ Lou, J Zhou, W Ajayan, PM AF Gong, Yongji Liu, Zheng Lupini, Andrew R. Shi, Gang Lin, Junhao Najmaei, Sina Lin, Zhong Elias, Ana Laura Berkdemir, Ayse You, Ge Terrones, Humberto Terrones, Mauricio Vajtai, Robert Pantelides, Sokrates T. Pennycook, Stephen J. Lou, Jun Zhou, Wu Ajayan, Pulickel M. TI Band Gap Engineering and Layer-by-Layer Mapping of Selenium-Doped Molybdenum Disulfide SO NANO LETTERS LA English DT Article DE Monolayer molybdenum disulfide (MoS2); ternary alloy; Se doping; dopant distribution; ADF imaging; band gap engineering ID METAL DICHALCOGENIDE NANOSHEETS; VAPOR-PHASE GROWTH; SINGLE-LAYER; ATOMIC LAYERS; HIGH-QUALITY; MOS2; MONOLAYER; GRAPHENE; MICROSCOPY; ALLOYS AB Ternary two-dimensional dichalcogenide alloys exhibit compositionally modulated electronic structure, and hence, control of dopant concentration within each individual layer of these compounds provides a powerful tool to efficiently modify their physical and chemical properties. The main challenge arises when quantifying and locating the dopant atoms within each layer in order to better understand and fine-tune the desired properties. Here we report the synthesis of molybdenum disulfide substitutionally doped with a broad range of selenium concentrations, resulting in over 10% optical band gap modulations in atomic layers. Chemical analysis using Z-contrast imaging provides direct maps of the dopant atom distribution in individual MoS2 layers and hence a measure of the local optical band gaps. Furthermore, in a bilayer structure, the dopant distribution is imaged layer-by-layer. This. work demonstrates that each layer in the bilayer system contains similar local Se concentrations, randomly distributed, providing new insights into the growth mechanism and alloying behavior in two-dimensional dichalcogenide atomic layers. The results show that growth of uniform, ternary, two-dimensional dichalcogenide alloy films with tunable electronic properties is feasible. C1 [Gong, Yongji; Ajayan, Pulickel M.] Rice Univ, Dept Chem, Houston, TX 77005 USA. [Liu, Zheng; Shi, Gang; Najmaei, Sina; You, Ge; Vajtai, Robert; Lou, Jun; Ajayan, Pulickel M.] Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77005 USA. [Liu, Zheng] Nanyang Technol Univ, Sch Elect & Elect Engn, Sch Mat Sci & Engn, Singapore 639798, Singapore. [Lupini, Andrew R.; Lin, Junhao; Pantelides, Sokrates T.; Pennycook, Stephen J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Lin, Junhao; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Lin, Zhong; Elias, Ana Laura; Berkdemir, Ayse; Terrones, Humberto; Terrones, Mauricio] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Lin, Zhong; Elias, Ana Laura; Berkdemir, Ayse; Terrones, Humberto; Terrones, Mauricio] Penn State Univ, Ctr Dimens & Layered Mat 2, University Pk, PA 16802 USA. [Terrones, Mauricio] Penn State Univ, Dept Chem, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Terrones, Mauricio] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. [Terrones, Mauricio] Shinshu Univ, Res Ctr Exot Nanocarbons JST, Nagano 3808553, Japan. RP Zhou, W (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM wu.zhou.stem@gmail.com; ajayan@rice.edu RI Liu, Zheng/C-1813-2014; SHI, GANG/E-7878-2014; Terrones, Mauricio/B-3829-2014; Zhou, Wu/D-8526-2011; Lin, Zhong/O-4339-2014; Lin, Junhao/D-7980-2015; Gong, Yongji/L-7628-2016 OI Liu, Zheng/0000-0002-8825-7198; SHI, GANG/0000-0002-3180-105X; Zhou, Wu/0000-0002-6803-1095; Lin, Junhao/0000-0002-2195-2823; FU Army Research Office MURI [W911NF-11-1-0362]; FAME Center, One of six centers of STARnet, a Semiconductor Research Corporation program; MARCO; DARPA; U.S. Office of Naval Research MURI [N000014-09-1-1066]; Welch Foundation [C-1716]; NSF [DMR-0928297]; National Research Foundation Singapore under NRF RF Award [NRF-RF2013-08]; Nanoelectronics Research Corporation [S201006]; Materials Simulation Center of the Materials Research Institute; Research Computing and Cyberinfrastructure unit of Information Technology Services; Penn-State Center for Nanoscale Science; Wigner Fellowship through the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL); U.S. Department of Energy (DOE), Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. DOE [DE-FG02-09ER46554]; ORNL's Center for Nanophase Materials Sciences (CNMS); Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE; JST-Japan under Japanese regional Innovation Strategy Program by the Excellence; Penn State Center for Nanoscale Science [DMR-0820404] FX This work was supported by the Army Research Office MURI grant W911NF-11-1-0362, the FAME Center, One of six centers of STARnet, a Semiconductor Research Corporation program sponsored by MARCO and DARPA, the U.S. Office of Naval Research MURI grant N000014-09-1-1066, Welch Foundation grant C-1716, the NSF grant DMR-0928297, the National Research Foundation Singapore under NRF RF Award No. NRF-RF2013-08, the Nanoelectronics Research Corporation contract S201006, the Materials Simulation Center of the Materials Research Institute, the Research Computing and Cyberinfrastructure unit of Information Technology Services, and Penn-State Center for Nanoscale Science. This research was supported in part by a Wigner Fellowship through the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC, for the U.S. DOE (to W.Z.); by the U.S. Department of Energy (DOE), Basic Energy Sciences, Materials Sciences and Engineering Division (to A.R.L., S.T.P., and S.J.P.), U.S. DOE grant DE-FG02-09ER46554 (to J.L. and S.T.P.), and through a user project supported by ORNL's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE. M.T. thanks JST-Japan for funding the Research Center for Exotic NanoCarbons, under the Japanese regional Innovation Strategy Program by the Excellence. M.T. acknowledges support from the Penn State Center for Nanoscale Science for seed grant on 2-D Layered Materials (DMR-0820404). The authors also acknowledge the Center for 2-Dimensional and Layered Materials. The authors are grateful to Lazaro Calderin for technical assistance and to Drs. Kazu Suenaga and Ryo Ishikawa for helpful discussions. NR 39 TC 111 Z9 111 U1 41 U2 323 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 442 EP 449 DI 10.1021/nl4032296 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 AA8KH UT WOS:000331343900008 PM 24368045 ER PT J AU Wang, WL Santos, EJG Jiang, B Cubuk, ED Ophus, C Centeno, A Pesquera, A Zurutuza, A Ciston, J Westervelt, R Kaxiras, E AF Wang, Wei Li Santos, Elton J. G. Jiang, Bin Cubuk, Ekin Dogus Ophus, Colin Centeno, Alba Pesquera, Amaia Zurutuza, Amaia Ciston, Jim Westervelt, Robert Kaxiras, Efthimios TI Direct Observation of a Long-Lived Single-Atom Catalyst Chiseling Atomic Structures in Graphene SO NANO LETTERS LA English DT Article DE Single-atom catalyst; graphene; HRTEM; molecular devices ID SUSPENDED GRAPHENE; LAYER GRAPHENE; DYNAMICS; NANORIBBONS; MICROSCOPY; GROWTH; METALS AB Fabricating stable functional devices at the atomic scale is an ultimate goal of nanotechnology. In biological processes, such high-precision operations are accomplished by enzymes. A counterpart molecular catalyst that binds to a solid-state substrate would be highly desirable. Here, we report the direct observation of single Si adatoms catalyzing the dissociation of carbon atoms from graphene in an aberration-corrected high-resolution transmission electron microscope (HRTEM). The single Si atom provides a catalytic wedge for energetic electrons to chisel off the graphene lattice, atom by atom, while the Si atom itself is not consumed. The products of the chiseling process are atomic-scale features including graphene pores and clean edges. Our experimental observations and first-principles calculations demonstrated the dynamics, stability, and selectivity of such a single-atom chisel, which opens up the possibility of fabricating certain stable molecular devices by precise modification of materials at the atomic scale. C1 [Wang, Wei Li; Westervelt, Robert; Kaxiras, Efthimios] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Wang, Wei Li; Santos, Elton J. G.; Cubuk, Ekin Dogus; Westervelt, Robert; Kaxiras, Efthimios] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Jiang, Bin] FEI Corp, Hillsboro, OR 97124 USA. [Ophus, Colin; Ciston, Jim] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Centeno, Alba; Pesquera, Amaia; Zurutuza, Amaia] Graphenea SA, E-20018 Donostia San Sebastian, Spain. RP Kaxiras, E (reprint author), Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. EM kaxiras@physics.harvard.edu RI Foundry, Molecular/G-9968-2014; Wang, Wei/B-8061-2009; OI Wang, Wei/0000-0002-5064-8097; Ophus, Colin/0000-0003-2348-8558 FU Massachusetts Green High-Performance Computing Center (MGHPCC); DOE [DE-FG02-07ER46422]; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC0205CH11231]; NSF [TGPHY120034, TG-DMR120049, TG-DMR120073] FX W.L.W. acknowledges the support from the Massachusetts Green High-Performance Computing Center (MGHPCC) and DOE grant number DE-FG02-07ER46422. This work was performed in part at 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-AC0205CH11231. Part of the calculations were performed at the Extreme Science and Engineering Discovery Environment (XSEDE), supported by NSF grant numbers TGPHY120034, TG-DMR120049, and TG-DMR120073. NR 30 TC 18 Z9 18 U1 24 U2 129 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 450 EP 455 DI 10.1021/nl403327u PG 6 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 AA8KH UT WOS:000331343900009 PM 24447230 ER PT J AU Brovelli, S Bae, WK Galland, C Giovanella, U Meinardi, F Klimov, VI AF Brovelli, Sergio Bae, Wan Ki Galland, Christophe Giovanella, Umberto Meinardi, Francesco Klimov, Victor I. TI Dual-Color Electroluminescence from Dot-in-Bulk Nanocrystals SO NANO LETTERS LA English DT Article DE Nanocrystal quantum dot; core/shell heterostructure; dual emission; electroluminescence; light-emitting diode; surface defect ID LIGHT-EMITTING-DIODES; COLLOIDAL QUANTUM DOTS; CORE-SHELL INTERFACE; AUGER RECOMBINATION; CORE/SHELL NANOCRYSTALS; CDSE; BLINKING; EMISSION; FILMS; HETERONANOCRYSTALS AB The emission color from colloidal semiconductor nanocrystals (NCs) is usually tuned through control of particle size, while multicolor emission is obtained by mixing NCs of different sizes within an emissive layer. Here, we demonstrate that recently introduced "dot-in-bulk" (DiB) nanocrystals can emit two-color light under both optical excitation and electrical injection. We show that the effective emission color can be controlled by adjusting the relative amplitudes of the core and shell emission bands via the intensity of optical excitation or applied bias in the cases of photoluminescence (PL) and electroluminescence (EL), respectively. To investigate the role of nonradiative carrier losses due to trapping at intragap states, we incorporate DiB NCs into functional light-emitting diodes and study their PL as a function of applied bias below the EL excitation threshold. We show that voltage-dependent changes in core and shell emissions are not due to the applied electric field but rather arise from the transfer of charges between the anode and the NC intragap trap sites. The changes in the occupancy of trap states can be described in terms of the raising (lowering) of the Fermi level for reverse (direct) bias. We find that the applied voltage affects the overall PL intensity primarily via the electron-trapping channel while bias-induced changes in hole-trapping play a less significant role, limited to a weak effect on core emission. C1 [Brovelli, Sergio; Meinardi, Francesco] Univ Milano Bicocca, Dipartimento Sci Mat, I-20125 Milan, Italy. [Bae, Wan Ki; Galland, Christophe; Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Galland, Christophe] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Giovanella, Umberto] Ist Studio Macromol ISMac CNR, I-20133 Milan, Italy. RP Brovelli, S (reprint author), Univ Milano Bicocca, Dipartimento Sci Mat, Via Cozzi 55, I-20125 Milan, Italy. EM sergio.brovelli@unimib.it; klimov@lanl.gov RI Galland, Christophe/A-1075-2013; OI Galland, Christophe/0000-0001-5627-0796; Brovelli, Sergio/0000-0002-5993-855X; Klimov, Victor/0000-0003-1158-3179; GIOVANELLA, UMBERTO/0000-0003-2865-050X FU Chemical Sciences, Biosciences, and Geosciences Division of Office of Science, Office of Basic Energy Sciences (BES), U.S. Department of Energy (DOE); Cariplo Foundation [2012-0844]; European Community [324603] FX W.K.B and V.I.K. are supported by the Chemical Sciences, Biosciences, and Geosciences Division of Office of Science, Office of Basic Energy Sciences (BES), U.S. Department of Energy (DOE). S.B., F.M., and U.G. acknowledge support from Cariplo Foundation (Grant N.2012-0844). S.B. wishes to thank the European Community's Seventh Framework Programme (FP7/2007-2013) under Grant N. 324603. NR 50 TC 17 Z9 17 U1 6 U2 83 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 486 EP 494 DI 10.1021/nl403478s 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 AA8KH UT WOS:000331343900014 PM 24328946 ER PT J AU Nguyen, BM Taur, Y Picraux, ST Dayeh, SA AF Binh-Minh Nguyen Taur, Yuan Picraux, S. Tom Dayeh, Shadi A. TI Diameter-Independent Hole Mobility in Ge/Si Core/Shell Nanowire Field Effect Transistors SO NANO LETTERS LA English DT Article DE Ge/Si; core/shell; nanowire; field effect transistor; mobility; diameter dependence; bandgap engineering ID CORE-SHELL NANOWIRES; SILICON NANOWIRES; SOI-MOSFETS; GE; SI; HETEROSTRUCTURES; GAS AB Heterostructure engineering capability, especially in the radial direction, is a unique property of bottom-up nanowires (NWs) that makes them a serious candidate for high-performance field-effect transistors (RETs). In this Letter, we present a comprehensive study on size dependent carrier transport behaviors in vapor liquid solid grown Ge/Si core/shell NWFETs. Transconductance, subthreshold swing, and threshold voltage exhibit a linear increase with the NW diameter due to the increase of the transistor body size. Carrier confinement in this core/shell architecture is shown to maintain a diameter-independent hole mobility as opposed to surface-induced mobility degradation in homogeneous Ge NWs. The Si shell thickness also exhibits a slight effect on the hole mobility, while the most abrupt mobility transition is between structures with and without the Si shell. A hole mobility of 200 cm(2)/(V.s) is extracted from transistor performance for core/shell NWs with a diameter range of 15-50 nm and a 3 nm Si shell. The constant mobility enables a complete and unambiguous dependence of FET performance on NW diameter to be established and provides a caliper for performance comparisons between NWFETs and with other FET families. C1 [Binh-Minh Nguyen; Picraux, S. Tom; Dayeh, Shadi A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87544 USA. [Binh-Minh Nguyen; Taur, Yuan; Dayeh, Shadi A.] Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. RP Nguyen, BM (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87544 USA. EM minh@lanl.gov; sdayeh@ece.ucsd.edu FU National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; faculty start-up fund at UC San Diego FX This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. The authors are grateful to Ms. Xing Dai of Nanyang Technological University for disclosing data on the thickness-dependent dielectric constant of HfO2. S.A.D. acknowledges support from a faculty start-up fund at UC San Diego. NR 34 TC 11 Z9 11 U1 5 U2 60 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 585 EP 591 DI 10.1021/nl4037559 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 AA8KH UT WOS:000331343900029 PM 24382113 ER PT J AU Jang, J Liu, WY Son, JS Talapin, DV AF Jang, Jaeyoung Liu, Wenyong Son, Jae Sung Talapin, Dmitri V. TI Temperature-Dependent Hall and Field-Effect Mobility in Strongly Coupled All-Inorganic Nanocrystal Arrays SO NANO LETTERS LA English DT Article DE Hall effect; InAs nanocrystals; inorganic ligands; charge transport; doping electron mobility; carrier trapping ID QUANTUM-DOT SOLIDS; BAND-LIKE TRANSPORT; COLLOIDAL NANOCRYSTALS; LOW-VOLTAGE; EFFECT TRANSISTORS; CHARGE-TRANSPORT; SEMICONDUCTOR; FILMS; ELECTRON; SIZE AB We report on the temperature-dependent Hall effect characteristics of nanocrystal (NC) arrays prepared from colloidal InAs NCs capped with metal chalcogenide complex (MCC) ligands (In2Se42- and Cu7S4-). Our study demonstrates that Hall effect measurements are a powerful way of exploring the fundamental properties of NC solids. We found that solution-cast 5.3 nm InAs NC films capped with copper sulfide MCC ligands exhibited high Hall mobility values over 16 cm(2)/(V s). We also showed that the nature of MCC ligands can control doping in NC solids. The comparative study of the temperature-dependent Hall and field-effect mobility values provides valuable insights concerning the charge transport mechanism and points to the transition from a weak to a strong coupling regime in all-inorganic InAs NC solids. C1 [Jang, Jaeyoung; Liu, Wenyong; Son, Jae Sung; Talapin, Dmitri V.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Jang, Jaeyoung; Liu, Wenyong; Son, Jae Sung; Talapin, Dmitri V.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. [Talapin, Dmitri V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Talapin, DV (reprint author), Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM dvtalapin@uchicago.edu RI Son, Jae Sung/C-2903-2014; liu, wenyong/J-3208-2015 OI liu, wenyong/0000-0001-9143-9139 FU NSF [DMR-1310398]; DOD ONR [N00014-13-1-0490]; David and Lucile Packard Foundation; Keck Foundation; NSF MRSEC Program [DMR-0213745]; US Department of Energy [DE-AC02-06CH11357] FX We thank Matthew Panthani and James Kurley for help with LabVIEW programs. The work on synthesis and characterization of MCC-capped NCs was supported by NSF under Award Number DMR-1310398; the work on charge transport in NC solids was supported by DOD ONR Award Number N00014-13-1-0490. D.V.T. also thanks the David and Lucile Packard Foundation and Keck Foundation for their generous support. This work used facilities supported by NSF MRSEC Program under Award Number DMR-0213745. The work at the Center for Nanoscale Materials (ANL) was supported by the US Department of Energy under Contract No. DE-AC02-06CH11357. NR 64 TC 27 Z9 27 U1 12 U2 101 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 653 EP 662 DI 10.1021/nl403889u PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AA8KH UT WOS:000331343900039 PM 24467484 ER PT J AU Panthani, MG Kurley, JM Crisp, RW Dietz, TC Ezzyat, T Luther, JM Talapin, DV AF Panthani, Matthew G. Kurley, J. Matthew Crisp, Ryan W. Dietz, Travis C. Ezzyat, Taha Luther, Joseph M. Talapin, Dmitri V. TI High Efficiency Solution Processed Sintered CdTe Nanocrystal Solar Cells: The Role of Interfaces SO NANO LETTERS LA English DT Article DE Nanocrystals; photovoltaics; CdTe; sintering; optoelectronic materials ID PHOTOVOLTAIC PERFORMANCE; COLLOIDAL NANOCRYSTALS; TIO2 FILMS; LOW-COST; TRANSPORT; POLYCRYSTALLINE; FABRICATION; CUINSE2; SOLIDS; INKS AB Solution processing of photovoltaic semiconducting layers offers the potential for drastic cost reduction through improved materials utilization and high device throughput. One compelling solution-based processing strategy utilizes semiconductor layers produced by sintering nanocrystals into large-grain semiconductors at relatively low temperatures. Using n-ZnO/p-CdTe as a model system, we fabricate sintered CdTe nanocrystal solar cells processed at 350 degrees C with power conversion efficiencies (PCE) as high as 12.3%. J(SC) of over 25 mA cm(-2) are achieved, which are comparable or higher than those achieved using traditional, close-space sublimated CdTe. We find that the V-OC can be substantially increased by applying forward bias for short periods of time. Capacitance measurements as well as intensity- and temperature-dependent analysis indicate that the increased V-OC is likely due to relaxation of an energetic barrier at the ITO/CdTe interface. C1 [Panthani, Matthew G.; Kurley, J. Matthew; Dietz, Travis C.; Ezzyat, Taha; Talapin, Dmitri V.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Panthani, Matthew G.; Kurley, J. Matthew; Dietz, Travis C.; Ezzyat, Taha; Talapin, Dmitri V.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. [Crisp, Ryan W.; Luther, Joseph M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Crisp, Ryan W.] Colorado Sch Mines, Golden, CO 80401 USA. [Talapin, Dmitri V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Luther, JM (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM joey.luther@nrel.gov; dvtalapin@uchicago.edu RI Crisp, Ryan/C-9944-2014; Panthani, Matthew/C-8829-2014; Dietz, Travis/E-6772-2016; OI Crisp, Ryan/0000-0002-3703-9617; Panthani, Matthew/0000-0002-3795-2051; Dietz, Travis/0000-0001-8733-3227; Kurley, James/0000-0003-0592-0714 FU DOE SunShot program [DE-EE0005312]; US Department of Energy [DE-AC02-06CH11357]; NSF MRSEC Program [DMR-0213745] FX We would like to thank the Measurements and Characterization group at the National Renewable Energy Laboratory for certified device testing, calibration, and SIMS data. We would also like to thank Brian Strohmeier for XI'S measurements. This work was supported by the DOE SunShot program under award no. DE-EE0005312. The work at the Center for Nanoscale Materials (ANL) was supported by the US Department of Energy under Contract No. DE-AC02-06CH11357. This work also used facilities supported by NSF MRSEC Program under Award Number DMR-0213745. NR 44 TC 63 Z9 63 U1 6 U2 118 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 670 EP 675 DI 10.1021/nl403912w PG 6 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 AA8KH UT WOS:000331343900041 PM 24364381 ER PT J AU White, AJ Tretiak, S Galperin, M AF White, Alexander J. Tretiak, Sergei Galperin, Michael TI Raman Scattering in Molecular Junctions: A Pseudoparticle Formulation SO NANO LETTERS LA English DT Article DE Raman scattering; molecular junctions; pseudoparticle nonequilibrium Green functions; time-dependent density functional theory (TDDFT); oligophenylene-vinylene (OPV); vibrational heating ID CONDON OVERLAP INTEGRALS; SINGLE-MOLECULE; CONDUCTION JUNCTIONS; SILVER ELECTRODE; SERS; SPECTROSCOPY; TRANSPORT; SPECTRA; TEMPERATURE; PYRAZINE AB We present a formulation of Raman spectroscopy in molecular junctions based on a many-body state representation of the molecule. The approach goes beyond the previous effective single orbital formalism and provides a convenient way to incorporate computational methods and tools proven for equilibrium molecular spectroscopy into the realm of current carrying junctions. The presented framework is illustrated by first principle simulations of Raman response in a three-ring oligophenylene vinylene terminating in amine functional groups (OPV3) junction. The calculated shift in Stokes lines and estimate of vibrational heating by electric current agree with available experimental data. In particular, our results suggest that participation of the OPV3 cation in Raman scattering under bias may be responsible for the observed shift, and that the direction of the shift depends on renormalization of normal modes. This work is a step toward atomistic quantum ab initio modeling of the optical response of nonequilibrium electronic dynamics in molecular junctions. C1 [White, Alexander J.; Galperin, Michael] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. [Tretiak, Sergei] Los Alamos Natl Lab, Ctr Nonlinear Studies CNLS, Div Theoret, Los Alamos, NM 87545 USA. [Tretiak, Sergei] Los Alamos Natl Lab, Ctr Integrated Nanotechnol CINT, Los Alamos, NM 87545 USA. RP Galperin, M (reprint author), Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. EM migalperin@ucsd.edu RI White, Alexander/D-8754-2014; Tretiak, Sergei/B-5556-2009; Galperin, Michael/B-2838-2011 OI White, Alexander/0000-0002-7771-3899; Tretiak, Sergei/0000-0001-5547-3647; Galperin, Michael/0000-0002-1401-5970 FU Department of Energy [DE-SC0006422]; Center for Integrated Nanotechnologies (CINT) at Los Alamos National Laboratory (LANL); National Nuclear Security Administration of the U.S. Department of Energy [DE-AC5206NA25396] FX We gratefully acknowledge support by the Department of Energy (M.G., Early Career Award, DE-SC0006422) and the Center for Integrated Nanotechnologies (CINT) at Los Alamos National Laboratory (LANL). LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC5206NA25396. NR 67 TC 17 Z9 18 U1 2 U2 60 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 699 EP 703 DI 10.1021/nl4039532 PG 5 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 AA8KH UT WOS:000331343900046 PM 24447295 ER PT J AU Phatak, C Liu, YZ Gulsoy, EB Schmidt, D Franke-Schubert, E Petford-Long, A AF Phatak, Charudatta Liu, Yuzi Gulsoy, Emine Begum Schmidt, Daniel Franke-Schubert, Eva Petford-Long, Amanda TI Visualization of the Magnetic Structure of Sculpted Three-Dimensional Cobalt Nanospirals SO NANO LETTERS LA English DT Article DE Nanomagnetic structure; nanospiral; 3D nanomagnetism; 3D visualization; Lorentz transmission electron microscopy ID ELECTRON-MICROSCOPY; NANOWIRES; ARRAYS; NANOSTRUCTURES; FILMS AB In this work, we report on the direct visualization of magnetic structure in sculpted three-dimensional cobalt (Co) nanospirals with a wire diameter of 20 nm and outer spiral diameter of 115 nm and on the magnetic interactions between the nanospirals, using aberration-corrected Lorentz transmission electron microscopy. By analyzing the magnetic domains in three dimensions at the nanoscale, we show that magnetic domain formation in the Co nanospirals is a result of the shape anisotropy dominating over the magnetocrystalline anisotropy of the system. We also show that the strong dipolar magnetic interactions between adjacent closely packed nanospirals leads to their magnetization directions adopting alternating directions to minimize the total magnetostatic energy of the system. Deviations from such magnetization structure can only be explained by analyzing the complex three-dimensional structure of the nanospirals. These nanostructures possess an inherent chirality due to their growth conditions and are of significant importance as nanoscale building blocks in magneto-optical devices. C1 [Phatak, Charudatta; Petford-Long, Amanda] Argonne Natl Lab, Nanosci & Technol Div, Lemont, IL 60439 USA. [Liu, Yuzi] Argonne Natl Lab, Ctr Nanoscale Mat, Lemont, IL 60439 USA. [Gulsoy, Emine Begum; Petford-Long, Amanda] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Schmidt, Daniel; Franke-Schubert, Eva] Univ Nebraska, Dept Elect Engn, Lincoln, NE 68588 USA. RP Phatak, C (reprint author), Argonne Natl Lab, Nanosci & Technol Div, Lemont, IL 60439 USA. EM cd@anl.gov RI Gulsoy, Emine/A-1985-2011; Phatak, Charudatta/A-1874-2010; Petford-Long, Amanda/P-6026-2014; Schmidt, Daniel/F-2694-2010; Liu, Yuzi/C-6849-2011 OI Gulsoy, Emine/0000-0002-8182-2473; Petford-Long, Amanda/0000-0002-3154-8090; FU U.S. Department of Energy (DOE), Office of Science, Materials Sciences and Engineering Division; National Science Foundation (NSF); MRSEC [DMR-0820521]; CAREER [ECCS-0846329]; RII [EPS-1004094]; Multi-disciplinary University Research Initiative (MURI) [AFOSR FA9550-12-0458] FX Work by C.P., Y.L. and A. P.-L., was supported by the U.S. Department of Energy (DOE), Office of Science, Materials Sciences and Engineering Division. Work by D.S. and E.F.-S was supported by the National Science Foundation (NSF), MRSEC (DMR-0820521), CAREER (ECCS-0846329), and RII (EPS-1004094). Work by E.B.G was supported by the Multi-disciplinary University Research Initiative (MURI) under award AFOSR FA9550-12-0458. We would also like to acknowledge the use of Electron Microscopy Center at Argonne National Laboratory. The authors would also like to thank Beri Mbenkum (Max Planck Institute for Intelligent Systems) for supplying the pre patterned substrate. NR 25 TC 18 Z9 18 U1 2 U2 38 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 759 EP 764 DI 10.1021/nl404071u PG 6 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 AA8KH UT WOS:000331343900056 PM 24444002 ER PT J AU Fowlkes, JD Roberts, NA Wu, Y Diez, JA Gonzalez, AG Hartnett, C Mahady, K Afkhami, S Kondic, L Rack, PD AF Fowlkes, J. D. Roberts, N. A. Wu, Y. Diez, J. A. Gonzalez, A. G. Hartnett, C. Mahady, K. Afkhami, S. Kondic, L. Rack, P. D. TI Hierarchical Nanoparticle Ensembles Synthesized by Liquid Phase Directed Self-Assembly SO NANO LETTERS LA English DT Article DE Self-assembly; directed assembly; Rayleigh-Plateau; volume-of-Fluid; hierarchical; nanoparticle assembly ID METAL-FILMS; BREAKUP; NANOSTRUCTURES; NANOCRYSTALS; FLOWS AB A liquid metal filament supported on a dielectric substrate was directed to fragment into an ordered, mesoscale particle ensemble. Imposing an undulated surface perturbation on the filament forced the development of a single unstable mode from the otherwise. disperse, multimodal Rayleigh Plateau instability. The imposed mode paved the way for a hierarchical spatial fragmentation of the filament into particles, previously seen only at much larger scales. Ultimately, nanoparticle radius control is demonstrated using a,micrometer scale switch. C1 [Fowlkes, J. D.; Rack, P. D.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37381 USA. [Roberts, N. A.] Utah State Univ, Logan, UT 84322 USA. [Wu, Y.; Rack, P. D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Diez, J. A.; Gonzalez, A. G.] Univ Nacl Ctr Prov Buenos Aires, Inst Fis Arroyo Seco CIFICEN CONICET, RA-7000 Tandil, Argentina. [Hartnett, C.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Mahady, K.; Afkhami, S.; Kondic, L.] New Jersey Inst Technol, Dept Math Sci, Newark, NJ 07102 USA. RP Fowlkes, JD (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37381 USA. EM fowlkesjd@ornl.gov RI Roberts, Nicholas/H-3275-2014; OI Roberts, Nicholas/0000-0002-6490-9454; Rack, Philip/0000-0002-9964-3254; Gonzalez, Alejandro G./0000-0002-4710-6414 FU U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; NSF [CBET-1235651, CBET-1235710]; Consejo Nacional de Investigaciones Cientificias y Tecnicas (CONICET, Argentina) [PIP 844/2011] FX Y.W. and J.D.F. acknowledge support from the U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division for sponsoring the aspects of this work related to understanding the fundamental mechanisms operative during liquid phase, thin film dewetting. A portion of this work related to the deposition of thin films and nanolithography 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. P.D.R. acknowledges support from NSF Grant CBET-1235651. L.K. acknowledges support by NSF Grant CBET-1235710. J.A.D. and A.G.G. acknowledge support from Consejo Nacional de Investigaciones Cientificias y Tecnicas (CONICET, Argentina) with Grant PIP 844/2011. NR 48 TC 12 Z9 12 U1 1 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 774 EP 782 DI 10.1021/nl404128d 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 AA8KH UT WOS:000331343900058 PM 24372258 ER PT J AU Fransson, J King, MG Yoon, Y Xiao, S Ochiai, Y Reno, JL Aoki, N Bird, JP AF Fransson, J. King, M. -G. Yoon, Y. Xiao, S. Ochiai, Y. Reno, J. L. Aoki, N. Bird, J. P. TI Tuning the Fano Resonance with an Intruder Continuum SO NANO LETTERS LA English DT Article DE Fano resonance; quantum point contacts; nanoelectronics; coherent-state control ID SINGLE-ELECTRON TRANSISTOR; QUANTUM POINT CONTACTS; PLASMONIC NANOCAVITIES; INDUCED TRANSPARENCY; DOTS AB Through a combination of experiment and theory we establish the possibility of achieving strong tuning of Fano resonances (FRs), by allowing their usual two-path geometry to interfere with an additional, "intruder", continuum. As the coupling strength to this intruder is varied, we predict strong modulations of the resonance line shape that, in principle at least, may exceed the amplitude of the original FR itself. For a proof-of-concept demonstration of this phenomenon, we construct a nanoscale interferometer from nonlocally coupled quantum point contacts and utilize the unique features of their density of states to realize the intruder. External control of the intruder coupling is enabled by means of an applied magnetic field, in the presence of which we demonstrate the predicted distortions of the FR. This general scheme for resonant control should be broadly applicable to a Variety of wave-based systems, opening up the possibility of new applications in areas such as chemical and biological sensing and secure communications. C1 [Fransson, J.] Uppsala Univ, Dept Phys & Astron, SE-75121 Uppsala, Sweden. [King, M. -G.; Yoon, Y.; Xiao, S.; Bird, J. P.] SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14260 USA. [Ochiai, Y.; Aoki, N.] Chiba Univ, Grad Sch Adv Integrat Sci, Inage Ku, Chiba 2638522, Japan. [Reno, J. L.] Sandia Natl Labs, CINT, Dept 1131, Albuquerque, NM 87185 USA. RP Bird, JP (reprint author), SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14260 USA. EM jbird@buffalo.edu RI Bird, Jonathan/G-4068-2010 OI Bird, Jonathan/0000-0002-6966-9007 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-FG02-04ER46180]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Swedish Research Council FX The experimental research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-FG02-04ER46180. The work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. J.F. acknowledges support from the Swedish Research Council. NR 40 TC 5 Z9 5 U1 2 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 788 EP 793 DI 10.1021/nl404133d PG 6 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 AA8KH UT WOS:000331343900060 PM 24460187 ER PT J AU Kim, T Darancet, P Widawsky, JR Kotiuga, M Quek, SY Neaton, JB Venkataraman, L AF Kim, Taekyeong Darancet, Pierre Widawsky, Jonathan R. Kotiuga, Michele Quek, Su Ying Neaton, Jeffrey B. Venkataraman, Latha TI Determination of Energy Level Alignment and Coupling Strength in 4,4 '-Bipyridine Single-Molecule Junctions SO NANO LETTERS LA English DT Article DE Level alignment; electronic coupling; single-molecule junctions; conductance switching; thermopower ID ELECTRONIC-STRUCTURE; INTERFACES; CONDUCTANCE; THERMOPOWER; METAL; CIRCUITS; AU AB We measure conductance and thermopower of single Au-4,4'-bipyridine-Au junctions in distinct low and high conductance binding geometries accessed by modulating the electrode separation. We use these data to determine the electronic energy level alignment and coupling strength for these junctions, which are known to conduct through the lowest unoccupied molecular orbital (LUMO). Contrary to intuition, we find that, in the high-conductance junction, the LUMO resonance energy is further away from the Au Fermi energy than in the low-conductance junction. However, the LUMO of the high-conducting junction is better coupled to the electrode. These results are in good quantitative agreement with self-energy corrected zero-bias density functional theory calculations. Our calculations show further that measurements of conductance and thermopower in amine-terminated oligophenyl-Au junctions, where conduction occurs through the highest occupied molecular orbitals, cannot be used to extract electronic parameters as their transmission functions do not follow a simple Lorentzian form. C1 [Kim, Taekyeong; Darancet, Pierre; Widawsky, Jonathan R.; Venkataraman, Latha] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Darancet, Pierre; Kotiuga, Michele; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Quek, Su Ying] Natl Univ Singapore, Dept Phys, Graphene Res Ctr, Singapore 119077, Singapore. [Quek, Su Ying] Natl Univ Singapore, Ctr Computat Sci & Engn, Singapore 119077, Singapore. [Kotiuga, Michele; Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Neaton, JB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM jbneaton@lbl.gov; lv2117@columbia.edu RI Quek, Su Ying/I-2934-2014; Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014; OI Neaton, Jeffrey/0000-0001-7585-6135; Venkataraman, Latha/0000-0002-6957-6089 FU NSF MIRT program [DMR-1122594]; Division of Materials Sciences and Engineering (Theory FWP) under Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported primarily by the NSF MIRT program under award the DMR-1122594. Portions of this work were performed at the Molecular Foundry and supported by the Division of Materials Sciences and Engineering (Theory FWP), both under the auspices of the Office of Basic Energy Sciences of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. We thank the National Energy Research Scientific Computing center for computational resources. NR 35 TC 48 Z9 48 U1 9 U2 60 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 794 EP 798 DI 10.1021/nl404143v PG 5 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 AA8KH UT WOS:000331343900061 PM 24446585 ER PT J AU Wang, YF Kanjanaboos, P Barry, E Mcbride, S Lin, XM Jaeger, HM AF Wang, Yifan Kanjanaboos, Pongsakorn Barry, Edward Mcbride, Sean Lin, Xiao-Min Jaeger, Heinrich M. TI Fracture and Failure of Nanoparticle Monolayers and Multilayers SO NANO LETTERS LA English DT Article DE Self-assembly; nanoparticles; crack; fracture strength; monolayers; multilayers ID NANOCRYSTAL SUPERLATTICES; MEMBRANES; CRACKING; ARRAYS; FILMS; FRAGMENTATION; MECHANISMS; DUCTILITY; COATINGS; SOLIDS AB We present an experimental investigation of fracture in self-assembled gold nanoparticle mono- and multilayers attached to elastomer substrates and subjected to tensile stress. Imaging the fracture patterns down to the scale of single particles provides detailed information about the crack width distribution and allows us to compare the scaling of the average crack spacing as a function of strain with predictions by shear-lag models. With increasing particle size, the fracture strength is found to increase while it decreases as the film thickness is built up layer by layer, indicating stress inhomogeneity in the thickness dimension. C1 [Wang, Yifan; Kanjanaboos, Pongsakorn; Jaeger, Heinrich M.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Wang, Yifan; Kanjanaboos, Pongsakorn; Mcbride, Sean; Jaeger, Heinrich M.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. [Barry, Edward; Lin, Xiao-Min] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Wang, YF (reprint author), Univ Chicago, Dept Phys, 5720 S Ellis Ave, Chicago, IL 60637 USA. EM yifanw@uchicago.edu RI Kanjanaboos, Pongsakorn/Q-1050-2015; OI Kanjanaboos, Pongsakorn/0000-0002-4854-1733; Wang, Yifan/0000-0003-2284-520X FU NSF [DMR-1207204, DMR-0820054]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We thank P. Guyot-Sionnest, J. Liao, I. Peters, T. Witten, and Q. Xu for discussions and Q. Guo for help with sample preparation. This research was supported by NSF through DMR-1207204. The Chicago MRSEC, supported by NSF DMR-0820054, is gratefully acknowledged for access to its shared experimental facilities. Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 34 TC 12 Z9 12 U1 4 U2 57 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 826 EP 830 DI 10.1021/nl404185b PG 5 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 AA8KH UT WOS:000331343900066 PM 24467462 ER PT J AU Battaglia, C Yin, XT Zheng, M Sharp, ID Chen, T McDonnell, S Azcatl, A Carraro, C Ma, BW Maboudian, R Wallace, RM Javey, A AF Battaglia, Corsin Yin, Xingtian Zheng, Maxwell Sharp, Ian D. Chen, Teresa McDonnell, Stephen Azcatl, Angelica Carraro, Carlo Ma, Biwu Maboudian, Roya Wallace, Robert M. Javey, Ali TI Hole Selective MoOx Contact for Silicon Solar Cells SO NANO LETTERS LA English DT Article DE Junctionless solar cells; silicon photovoltaics; heterojunctions; dopant-free contact; molybdenum trioxide ID METAL-OXIDES; INTERFACIAL LAYER; DEVICE AB Using an ultrathin (similar to 15 nm in thickness) molybdenum oxide (MoOx, x < 3) layer as a transparent hole selective contact to n-type silicon, we demonstrate a room-temperature processed oxide/silicon solar cell with a power conversion efficiency of 14.3%. While MoOx is commonly considered to be a semiconductor with a band gap of 3.3 eV, from X-ray photoelectron spectroscopy we show that MoOx may be considered to behave as a high workfunction metal with a low density of states at the Fermi level originating from the tail of an oxygen vacancy derived defect band located inside the band gap. Specifically, in the absence of carbon contamination, we measure a work function potential of similar to 6.6 eV, which is significantly higher than that of all elemental metals. Our results on the archetypical semiconductor silicon demonstrate the use of nm-thick transition metal oxides as a simple and versatile pathway for dopant-free contacts to inorganic semiconductors. This work has important implications toward enabling a novel class of junctionless devices with applications for solar Cells, light-emitting diodes, photodetectors, and transistors. C1 [Battaglia, Corsin; Yin, Xingtian; Zheng, Maxwell; Javey, Ali] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Battaglia, Corsin; Yin, Xingtian; Zheng, Maxwell; Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Yin, Xingtian] Xi An Jiao Tong Univ, Elect Mat Res Lab, Xian 710049, Shaanxi, Peoples R China. [Sharp, Ian D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. [Chen, Teresa; Ma, Biwu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [McDonnell, Stephen; Azcatl, Angelica; Wallace, Robert M.] Univ Texas Dallas, Dallas, TX 75083 USA. [Carraro, Carlo; Maboudian, Roya] Univ Calif Berkeley, Berkeley, CA 94720 USA. RP Javey, A (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. EM ajavey@eccs.berkeley.edu RI McDonnell, Stephen/E-1868-2011; Sharp, Ian/I-6163-2015; Javey, Ali/B-4818-2013; Yin, Xingtian/N-1743-2016; Battaglia, Corsin/B-2917-2010; Wallace, Robert/A-5283-2008 OI McDonnell, Stephen/0000-0001-9173-2060; Sharp, Ian/0000-0001-5238-7487; Yin, Xingtian/0000-0001-9077-5982; Wallace, Robert/0000-0001-5566-4806 FU Center for Low Energy Systems Technology (LEAST); MARCO; DARPA; Bay Area Photovoltaics Consortium (BAPVC); Office of Science of the U.S. Department of Energy [DE-SC0004993]; BK21 Plus program at Sunchon National University FX MoOx processing and characterization were funded by the Center for Low Energy Systems Technology (LEAST), one of the six SRC STARnet centers sponsored by MARCO and DARPA. Photovoltaic device fabrication and characterization were funded by the Bay Area Photovoltaics Consortium (BAPVC). Some of the XPS measurements were performed at JCAP; this material is based upon work performed by 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. We thank L. Barraud, S. De Wolf, and C. Ballif from the Ecole Polytechnique Federale de Lausanne (EPFL) for providing textured silicon wafers with passivated back contacts. C.B. acknowledges support from the Zeno Karl Schindler Foundation. A.J. acknowledges support from the BK21 Plus program at Sunchon National University. NR 27 TC 90 Z9 90 U1 21 U2 113 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 967 EP 971 DI 10.1021/nl404389u PG 5 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 AA8KH UT WOS:000331343900087 PM 24397343 ER PT J AU Rao, PM Cai, LL Liu, C Cho, IS Lee, CH Weisse, JM Yang, PD Zheng, XL AF Rao, Pratap M. Cai, Lili Liu, Chong Cho, In Sun Lee, Chi Hwan Weisse, Jeffrey M. Yang, Peidong Zheng, Xiaolin TI Simultaneously Efficient Light Absorption and Charge Separation in WO3/BiVO4 Core/Shell Nanowire Photoanode for Photoelectrochemical Water Oxidation SO NANO LETTERS LA English DT Article DE BiVO4; WO3; photoelectrochemical; water splitting; photoanode; core/shell nanowire ID VISIBLE-LIGHT; DOPED BIVO4; HYDROGEN-PRODUCTION; FLAME SYNTHESIS; CATALYST; FILMS; ELECTRODES; PHOTOELECTROLYSIS; TUNGSTEN; DRIVEN AB We report a scalably synthesized WO3/BiVO4 core/shell nanowire photoanode in which BiVO4 is the primary light-absorber and WO3 acts as an electron conductor. These core/shell nanowires achieve the highest product of light absorption and charge separation efficiencies among BiVO4-based photoanodes to date and, even without an added catalyst, produce a photocurrent of 3.1 mA/cm(2) under simulated sunlight and an incident photon-to-current conversion efficiency of similar to 60% at 300-450 nm, both at a potential of 1.23 V versus RHE. C1 [Rao, Pratap M.; Cai, Lili; Cho, In Sun; Lee, Chi Hwan; Weisse, Jeffrey M.; Zheng, Xiaolin] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [Liu, Chong; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zheng, XL (reprint author), Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. EM xlzheng@stanford.edu RI Rao, Pratap/S-3574-2016; OI Rao, Pratap/0000-0003-1324-498X; Liu, Chong/0000-0001-5546-3852; Cho, In Sun/0000-0001-5622-7712 FU Center on Nanostructuring for Efficient Energy Conversion, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy sciences [DE-SC0001060]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; Link Foundation Energy Fellowship FX We thank B. A. Pinaud and Professor F. F. Jaramillo for measurement of the spectral irradiance of the solar simulator. Work at Stanford was supported as part of the Center on Nanostructuring for Efficient Energy Conversion, 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-SC0001060. Work at 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 (PChem). P.M.R. gratefully acknowledges support from the Link Foundation Energy Fellowship. NR 57 TC 188 Z9 189 U1 46 U2 522 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2014 VL 14 IS 2 BP 1099 EP 1105 DI 10.1021/nl500022z 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 AA8KH UT WOS:000331343900108 PM 24437363 ER PT J AU Liao, J Huey, LG Liu, Z Tanner, DJ Cantrell, CA Orlando, JJ Flocke, FM Shepson, PB Weinheimer, AJ Hall, SR Ullmann, K Beine, HJ Wang, YH Ingall, ED Stephens, CR Hornbrook, RS Apel, EC Riemer, D Fried, A Mauldin, RL Smith, JN Staebler, RM Neuman, JA Nowak, JB AF Liao, Jin Huey, L. Gregory Liu, Zhen Tanner, David J. Cantrell, Chris A. Orlando, John J. Flocke, Frank M. Shepson, Paul B. Weinheimer, Andrew J. Hall, Samuel R. Ullmann, Kirk Beine, Harry J. Wang, Yuhang Ingall, Ellery D. Stephens, Chelsea R. Hornbrook, Rebecca S. Apel, Eric C. Riemer, Daniel Fried, Alan Mauldin, Roy L., III Smith, James N. Staebler, Ralf M. Neuman, J. Andrew Nowak, John B. TI High levels of molecular chlorine in the Arctic atmosphere SO NATURE GEOSCIENCE LA English DT Article ID IONIZATION MASS-SPECTROMETRY; LASER-INDUCED FLUORESCENCE; BOUNDARY-LAYER; CL ATOM; CHEMISTRY; PHOTOLYSIS; BROMINE; OZONE; AIR; KINETICS AB Chlorine radicals can function as a strong atmospheric oxidant(1-3), particularly in polar regions, where levels of hydroxyl radicals are low. In the atmosphere, chlorine radicals expedite the degradation of methane(4-6) and tropospheric ozone(4,7), and the oxidation of mercury to more toxic forms(3). Here we present direct measurements of molecular chlorine levels in the Arctic marine boundary layer in Barrow, Alaska, collected in the spring of 2009 over a six-week period using chemical ionization mass spectrometry. We report high levels of molecular chlorine, of up to 400 pptv. Concentrations peaked in the early morning and late afternoon, and fell to near-zero levels at night. Average daytime molecular chlorine levels were correlated with ozone concentrations, suggesting that sunlight and ozone are required for molecular chlorine formation. Using a time-dependent box model, we estimate that the chlorine radicals produced from the photolysis of molecular chlorine oxidized more methane than hydroxyl radicals, on average, and enhanced the abundance of short-lived peroxy radicals. Elevated hydroperoxyl radical levels, in turn, promoted the formation of hypobromous acid, which catalyses mercury oxidation and the breakdown of tropospheric ozone. We therefore suggest that molecular chlorine exerts a significant effect on the atmospheric chemistry of the Arctic. C1 [Liao, Jin; Huey, L. Gregory; Liu, Zhen; Tanner, David J.; Wang, Yuhang; Ingall, Ellery D.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30033 USA. [Liao, Jin; Neuman, J. Andrew; Nowak, John B.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80809 USA. [Liao, Jin; Neuman, J. Andrew; Nowak, John B.] NOAA, Earth Syst Res Lab, Boulder, CO 80305 USA. [Liu, Zhen] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Cantrell, Chris A.; Orlando, John J.; Flocke, Frank M.; Weinheimer, Andrew J.; Hall, Samuel R.; Ullmann, Kirk; Hornbrook, Rebecca S.; Apel, Eric C.; Riemer, Daniel; Fried, Alan; Mauldin, Roy L., III; Smith, James N.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Cantrell, Chris A.; Mauldin, Roy L., III] Univ Colorado, Dept Atmospher & Ocean Sci, Boulder, CO 80309 USA. [Shepson, Paul B.; Stephens, Chelsea R.] Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA. [Beine, Harry J.] Univ Calif Davis, Dept Land Air & Water Resources, Davis, CA 95616 USA. [Mauldin, Roy L., III] Univ Helsinki, Dept Phys, FI-00014 Helsinki, Finland. [Staebler, Ralf M.] Environm Canada, Air Qual Proc Sect, Toronto, ON M3H 5T4, Canada. RP Huey, LG (reprint author), Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30033 USA. EM greg.huey@eas.gatech.edu RI Liu, Zhen/C-3027-2011; Manager, CSD Publications/B-2789-2015; Smith, James/C-5614-2008; Liao, Jin/H-4865-2013; Neuman, Andy/A-1393-2009; Ingall, Ellery/A-5447-2008; Nowak, John/B-1085-2008; Thompson, Chelsea/L-2302-2015; Wang, Yuhang/B-5578-2014 OI Hornbrook, Rebecca/0000-0002-6304-6554; Smith, James/0000-0003-4677-8224; Neuman, Andy/0000-0002-3986-1727; Ingall, Ellery/0000-0003-1954-0317; Nowak, John/0000-0002-5697-9807; Thompson, Chelsea/0000-0002-7332-9945; FU NSF [ATM-0807702, ARC-0806437, ARC-0732556]; National Science Foundation FX This work is part of the international multidisciplinary OASIS program and is financially supported by NSF grants ATM-0807702, ARC-0806437 and ARC-0732556. We thank the OASIS campaign organizers and the National Center for Atmospheric Research shipping department for logistical support. We also thank J .Fast and A. Stohl for making the FLEXPART-WRF code public (http://transport.nilu.no/flexpart). The National Center for Atmospheric Research is operated by the University Corporation for Atmospheric Research, under the sponsorship of the National Science Foundation. NR 30 TC 23 Z9 24 U1 5 U2 86 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1752-0894 EI 1752-0908 J9 NAT GEOSCI JI Nat. Geosci. PD FEB PY 2014 VL 7 IS 2 BP 91 EP 94 DI 10.1038/NGEO2046 PG 4 WC Geosciences, Multidisciplinary SC Geology GA AA5LP UT WOS:000331140800010 ER PT J AU Lee, J Han, JE Xiao, S Song, J Reno, JL Bird, JP AF Lee, J. Han, J. E. Xiao, S. Song, J. Reno, J. L. Bird, J. P. TI Formation of a protected sub-band for conduction in quantum point contacts under extreme biasing SO NATURE NANOTECHNOLOGY LA English DT Article ID 2-DIMENSIONAL ELECTRON-GAS; PHONON EMISSION; BALLISTIC TRANSPORT; EDGE CHANNELS; GAAS; DOT AB Managing energy dissipation is critical to the scaling of current microelectronics(1-3) and to the development of novel deevices that use quantum coherence to achieve enhanced functionality(4). To this end, strategies are needed to tailor the electron-phonon interaction, which is the dominant mechanism for cooling non-equilibrium ('hot') carriers in experiments aimed at controlling the quantum state, this interaction causes decoherence that fundamentally disrupts device operation. Here, we show a contrasting behaviour, in which strong electron-photon scattering can instead be used to generate a robust mode for electrical conduction in GaAs quantum point contacts, driven into extreme non-equilibrium by nanosecond voltage pulses. When the amplitude of these pulses is much larger than all other relevant energy scales, strong electron-photon scattering induces an attraction between electrons in the quantum-point-contact channel, which leads to the spontaneous formation of a marrow current filament and to a renormalization of the electronic states responsible for transport. The lowest of these states coalesce to form a sub-band seperated from all others by an energy gap larger than the source voltage. Evidence for this renormalization is the transient conductance, which becomes planned near 2e(2)/h (e(x) electron charges h, planck constant) for a broad range of source and gate voltates. This collective non-equilibrium mode is observed over a wide range of temperature (4,2-300 k) and many provide an effective means to manage electron-phonon scattering in nanoscale devices. C1 [Lee, J.; Xiao, S.; Song, J.; Bird, J. P.] SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14260 USA. [Han, J. E.] SUNY Buffalo, Dept Phys, Buffalo, NY 14260 USA. [Reno, J. L.] Sandia Natl Labs, CINT, Albuquerque, NM 87185 USA. RP Lee, J (reprint author), SUNY Buffalo, Dept Elect Engn, 230 Davis Hall, Buffalo, NY 14260 USA. EM jonghan@buffalo.edu; jbird@buffalo.edu RI Han, Jong/E-7311-2011; Bird, Jonathan/G-4068-2010 OI Han, Jong/0000-0002-5518-2986; Bird, Jonathan/0000-0002-6966-9007 NR 31 TC 9 Z9 9 U1 0 U2 16 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 EI 1748-3395 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD FEB PY 2014 VL 9 IS 2 BP 101 EP 105 DI 10.1038/nnano.2013.297 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AA4MH UT WOS:000331069200010 PM 24441984 ER PT J AU Zhang, Y Chang, TR Zhou, B Cui, YT Yan, H Liu, ZK Schmitt, F Lee, J Moore, R Chen, YL Lin, H Jeng, HT Mo, SK Hussain, Z Bansil, A Shen, ZX AF Zhang, Yi Chang, Tay-Rong Zhou, Bo Cui, Yong-Tao Yan, Hao Liu, Zhongkai Schmitt, Felix Lee, James Moore, Rob Chen, Yulin Lin, Hsin Jeng, Horng-Tay Mo, Sung-Kwan Hussain, Zahid Bansil, Arun Shen, Zhi-Xun TI Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2 SO NATURE NANOTECHNOLOGY LA English DT Article ID DER-WAALS EPITAXY; MONOLAYER MOS2; GROWTH; DICHALCOGENIDES; SEMICONDUCTORS; TRANSISTORS; EFFICIENT; CROSSOVER; GRAPHENE; LAYERS AB Quantum systems in confined geometries are host to novel physical phenomena. Examples include quantum Hall systems in semiconductors(1) and Dirac electrons in graphene(2). Interest in such systems has also been intensified by the recent discovery of a large enhancement in photoluminescence quantum efficiency(3-7) and a potential route to valleytronics(6-8) in atomically thin layers of transition metal dichalcogenides, MX2 (M = Mo, W; X = S, Se, Te), which are closely related to the indirect-to-direct bandgap transition in monolayers(9-12). Here, we report the first direct observation of the transition from indirect to direct bandgap in monolayer samples by using angle-resolved photoemission spectroscopy on high-quality thin films of MoSe2 with variable thickness, grown by molecular beam epitaxy. The band structure measured experimentally indicates a stronger tendency of monolayer MoSe2 towards a direct bandgap, as well as a larger gap size, than theoretically predicted. Moreover, our finding of a significant spin-splitting of similar to 180 meV at the valence band maximum of a monolayer MoSe2 film could expand its possible application to spintronic devices. C1 [Zhang, Yi; Zhou, Bo; Chen, Yulin; Mo, Sung-Kwan; Hussain, Zahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Zhang, Yi; Cui, Yong-Tao; Yan, Hao; Liu, Zhongkai; Schmitt, Felix; Lee, James; Moore, Rob; Shen, Zhi-Xun] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Chang, Tay-Rong; Jeng, Horng-Tay] Natl Tsing Hua Univ, Dept Phys, Hsinchu 30013, Taiwan. [Zhou, Bo; Cui, Yong-Tao; Yan, Hao; Liu, Zhongkai; Schmitt, Felix; Lee, James; Moore, Rob; Chen, Yulin; Shen, Zhi-Xun] Stanford Univ, Geballe Lab Adv Mat, Dept Phys, Stanford, CA 94305 USA. [Zhou, Bo; Cui, Yong-Tao; Yan, Hao; Liu, Zhongkai; Schmitt, Felix; Lee, James; Moore, Rob; Chen, Yulin; Shen, Zhi-Xun] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. [Zhou, Bo; Chen, Yulin] Univ Oxford, Dept Phys, Oxford OX1 3PU, England. [Zhou, Bo; Chen, Yulin] Univ Oxford, Clarendon Lab, Oxford OX1 3PU, England. [Lin, Hsin; Bansil, Arun] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. [Jeng, Horng-Tay] Acad Sinica, Inst Phys, Taipei 11529, Taiwan. RP Mo, SK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM SKMo@lbl.gov; zxshen@stanford.edu RI Zhang, Yi/J-9025-2013; Cui, Yong-Tao/G-8505-2015; Chang, Tay-Rong/K-3943-2015; Mo, Sung-Kwan/F-3489-2013; Lin, Hsin/F-9568-2012 OI Zhang, Yi/0000-0003-1204-8717; Cui, Yong-Tao/0000-0002-8015-1049; Chang, Tay-Rong/0000-0003-1222-2527; Mo, Sung-Kwan/0000-0003-0711-8514; Lin, Hsin/0000-0002-4688-2315 FU US Department of Energy (DoE) Office of Basic Energy Science [DE-AC02-05CH11231]; US DoE Office of Basic Energy Science [DE-AC02-76SF00515]; Defense Advanced Research Projects Agency MesoDynamic Architectures (DARPA MESO) project [187 N66001-11-1-4105]; US DoE Office of Basic Energy Sciences [DE-FG02-07ER46352]; DoE [DE-AC02-05CH11231]; National Science Council, Taiwan FX The work at the ALS is supported by the US Department of Energy (DoE) Office of Basic Energy Science contract no. DE-AC02-05CH11231. The work at the Stanford Institute for Materials and Energy Sciences and Stanford University is supported by the US DoE Office of Basic Energy Science under contract no. DE-AC02-76SF00515. The work at Oxford University is supported from a Defense Advanced Research Projects Agency MesoDynamic Architectures (DARPA MESO) project (no. 187 N66001-11-1-4105). The work at Northeastern University is supported by the US DoE Office of Basic Energy Sciences under contract no. DE-FG02-07ER46352 and benefited from Northeastern University's Advanced Scientific Computation Center (ASCC), theory support at the Advanced Light Source, Berkeley, and the allocation of time at the National Energy Research Scientific Computing Center (NERSC) supercomputing centre through DoE grant no. DE-AC02-05CH11231. T.R.C. and H.T.J. are supported by the National Science Council, Taiwan. H.T.J. also thanks National Center for High-Performance Computing (NCHC), Computer and Information Network Center (CINC) - National Taiwan University (NTU) and National Center for Theoretical Sciences (NCTS), Taiwan, for technical support. NR 30 TC 225 Z9 226 U1 45 U2 421 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 EI 1748-3395 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD FEB PY 2014 VL 9 IS 2 BP 111 EP 115 DI 10.1038/NNANO.2013.277 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AA4MH UT WOS:000331069200012 PM 24362235 ER PT J AU Moosmann, J Ershov, A Weinhardt, V Baumbach, T Prasad, MS LaBonne, C Xiao, XH Kashef, J Hofmann, R AF Moosmann, Julian Ershov, Alexey Weinhardt, Venera Baumbach, Tilo Prasad, Maneeshi S. LaBonne, Carole Xiao, Xianghui Kashef, Jubin Hofmann, Ralf TI Time-lapse X-ray phase-contrast microtomography for in vivo imaging and analysis of morphogenesis SO NATURE PROTOCOLS LA English DT Article ID XENOPUS GASTRULATION; RETRIEVAL; MICROSCOPY; EMBRYO AB X-ray phase-contrast microtomography (XPC mu T) is a label-free, high-resolution imaging modality for analyzing early development of vertebrate embryos in vivo by using time-lapse sequences of 3D volumes. Here we provide a detailed protocol for applying this technique to study gastrulation in Xenopus laevis (African clawed frog) embryos. In contrast to mu MRI, XPC mu T images optically opaque embryos with subminute temporal and micrometer-range spatial resolution. We describe sample preparation, culture and suspension of embryos, tomographic imaging with a typical duration of 2 h (gastrulation and neurulation stages), intricacies of image pre-processing, phase retrieval, tomographic reconstruction, segmentation and motion analysis. Moreover, we briefly discuss our present understanding of X-ray dose effects (heat load and radiolysis), and we outline how to optimize the experimental configuration with respect to X-ray energy, photon flux density, sample-detector distance, exposure time per tomographic projection, numbers of projections and time-lapse intervals. The protocol requires an interdisciplinary effort of developmental biologists for sample preparation and data interpretation, X-ray physicists for planning and performing the experiment and applied mathematicians/computer scientists/physicists for data processing and analysis. Sample preparation requires 9-48 h, depending on the stage of development to be studied. Data acquisition takes 2-3 h per tomographic time-lapse sequence. Data processing and analysis requires a further 2 weeks, depending on the availability of computing power and the amount of detail required to address a given scientific problem. C1 [Moosmann, Julian; Ershov, Alexey; Baumbach, Tilo; Hofmann, Ralf] Karlsruhe Inst Technol, Inst Photon Sci & Synchrotron Radiat, Eggenstein Leopoldshafen, Germany. [Ershov, Alexey] Natl Res Tomsk Polytech Univ, Inst Phys & Technol, Dept Gen Phys, Tomsk, Russia. [Weinhardt, Venera; Baumbach, Tilo] Karlsruhe Inst Technol, Lab Applicat Synchrotron Radiat, D-76021 Karlsruhe, Germany. [Weinhardt, Venera] Heidelberg Univ, Ctr Organismal Studies, Heidelberg, Germany. [Prasad, Maneeshi S.; LaBonne, Carole] Northwestern Univ, Dept Mol Biosci, Evanston, IL USA. [Xiao, Xianghui] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Kashef, Jubin] Karlsruhe Inst Technol, Inst Zool 2, D-76021 Karlsruhe, Germany. RP Kashef, J (reprint author), Karlsruhe Inst Technol, Inst Zool 2, D-76021 Karlsruhe, Germany. EM jubin.kashef@kit.edu; ralf.hofmann2@kit.edu OI Ershov, Alexey/0000-0002-5774-5068 FU US DOE [DE-AC02-06CH11357]; 'Concept for the Future' program of Karlsruhe Institute of Technology; German Federal Ministry of Education and Research [05K12CK2, 05K12VH1]; COST action [MP1207] FX We thank T. van de Kamp for his help visualizing the setup and the sample-holder preparation, as well as F. de Carlo for allocating beam time at 2-BM-B station of APS, Argonne National Laboratory. The use of the APS, 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. J.K.'s Young Investigator Group received financial support from the 'Concept for the Future' program 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 nos. 05K12CK2 and 05K12VH1, as well as by COST action MP1207. NR 33 TC 12 Z9 12 U1 1 U2 15 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1754-2189 EI 1750-2799 J9 NAT PROTOC JI Nat. Protoc. PD FEB PY 2014 VL 9 IS 2 BP 294 EP 304 DI 10.1038/nprot.2014.033 PG 11 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AA5MB UT WOS:000331142200005 PM 24407356 ER PT J AU Budu, ME Derganov, DV Savina, OA Komarov, SV Moses, SD AF Budu, M. E. Derganov, D. V. Savina, O. A. Komarov, S. V. Moses, S. D. TI Developing a spent fuel cask for air transport SO NUCLEAR ENGINEERING INTERNATIONAL LA English DT Article C1 [Budu, M. E.] Sosny R&D Co, Moscow, Russia. [Derganov, D. V.; Savina, O. A.; Komarov, S. V.] Sosny R&D Co, Dimitrovgrad, Russia. [Moses, S. D.] Oak Ridge Natl Lab, US DOE, Oak Ridge, TN USA. RP Budu, ME (reprint author), Sosny R&D Co, Moscow, Russia. NR 6 TC 0 Z9 0 U1 0 U2 0 PU WILMINGTON PUBL PI SIDCUP PA WILMINGTON HOUSE, MAIDSTONE RD, FOOTS CRAY, SIDCUP DA14 SHZ, KENT, ENGLAND SN 0029-5507 J9 NUCL ENG INT JI Nucl. Eng. Int. PD FEB PY 2014 VL 59 IS 715 BP 17 EP 21 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AA3RO UT WOS:000331010200005 ER PT J AU Overhoff, MG Garbe, JC Koh, J Stampfer, MR Beach, DH Bishop, CL AF Overhoff, Marita G. Garbe, James C. Koh, James Stampfer, Martha R. Beach, David H. Bishop, Cleo L. TI Cellular senescence mediated by p16(INK4A)-coupled miRNA pathways SO NUCLEIC ACIDS RESEARCH LA English DT Article ID GENOME-WIDE ASSOCIATION; LIFE-SPAN; HUMAN FIBROBLASTS; INK4A-ARF LOCUS; GROWTH ARREST; POLYCOMB; EXPRESSION; CELLS; MICRORNA; MIR-34A AB p16 is a key regulator of cellular senescence, yet the drivers of this stable state of proliferative arrest are not well understood. Here, we identify 22 senescence-associated microRNAs (SA-miRNAs) in normal human mammary epithelial cells. We show that SA-miRNAs-26b, 181a, 210 and 424 function in concert to directly repress expression of Polycomb group (PcG) proteins CBX7, embryonic ectoderm development (EED), enhancer of zeste homologue 2 (EZH2) and suppressor of zeste 12 homologue (Suz12), thereby activating p16. We demonstrate the existence of a tight positive feedback loop in which SA-miRNAs activate and re-enforce the expression of other SA-miRNA members. In contrast, PcG members restrain senescence by epigenetically repressing the expression of these SA-miRNAs. Importantly, loss of p16 leads to repression of SA-miRNA expression, intimately coupling this effector of senescence to the SA-miRNA/PcG self-regulatory loop. Taken together, our findings illuminate an important regulatory axis that underpins the transition from proliferation to cellular senescence. C1 [Overhoff, Marita G.; Beach, David H.; Bishop, Cleo L.] Queen Mary Univ London, Barts & London Sch Med & Dent, Blizard Inst, Ctr Cutaneous Res, London E1 2AT, England. [Garbe, James C.; Stampfer, Martha R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Koh, James] Duke Univ, Sch Med, Dept Surg, Div Surg Sci, Durham, NC 27710 USA. RP Bishop, CL (reprint author), Queen Mary Univ London, Barts & London Sch Med & Dent, Blizard Inst, Ctr Cutaneous Res, 4 Newark St, London E1 2AT, England. EM c.l.bishop@qmul.ac.uk FU Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy [DE-AC02-05CH11231]; Medical Research Council, UK FX The Director, Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy under Contract No. [DE-AC02-05CH11231 to J.C.G. and M.R.S.]. Funding for open access charge: Medical Research Council, UK NR 50 TC 18 Z9 18 U1 1 U2 7 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 EI 1362-4962 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD FEB PY 2014 VL 42 IS 3 BP 1606 EP 1618 DI 10.1093/nar/gkt1096 PG 13 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AA5KX UT WOS:000331138800022 PM 24217920 ER PT J AU Plucinski, KJ Lakshminarayana, G AF Plucinski, K. J. Lakshminarayana, G. TI Operation by acentricity in the CdBr2 nanolayers SO PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES LA English DT Article DE Layered crystal; Nonlinear optics; Photoinduced effect ID CRYSTALS; PARAMETERS; CDI2; FEATURES AB The possibility of coherent laser induced enhanced charge density acentricity in the layered single crystals of CdBr2 is demonstrated experimentally. The possible manipulation through non-centrosymmetry was achieved by introduction of the I ion dopants which perform some kind of intercalation. The effects show strong dependence on hydrostatic pressure and are detected by second order nonlinear optical effects as well as by piezoelectricity. The proposed method opens a new opportunity for formation charge density acentricity on the nano level. More important is that the corresponding technology is relatively cheap. (C) 2013 Elsevier B.V. All rights reserved. C1 [Plucinski, K. J.] Mil Univ Technol, Dept Elect, PL-00908 Warsaw, Poland. [Lakshminarayana, G.] Los Alamos Natl Lab, Mat Sci & Technol Div MST 7, Los Alamos, NM 87545 USA. RP Plucinski, KJ (reprint author), Mil Univ Technol, Dept Elect, Kaliskiego 2, PL-00908 Warsaw, Poland. EM kpluc2006@wp.pl OI Gandham, Lakshminarayana/0000-0002-1458-9368 FU MTU [PBS-814] FX This work was supported in part by MTU through the Program PBS-814. NR 16 TC 1 Z9 1 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1386-9477 EI 1873-1759 J9 PHYSICA E JI Physica E PD FEB PY 2014 VL 56 BP 348 EP 350 DI 10.1016/j.physe.2013.10.007 PG 3 WC Nanoscience & Nanotechnology; Physics, Condensed Matter SC Science & Technology - Other Topics; Physics GA AA0VP UT WOS:000330815800059 ER PT J AU Martin-Ortigosa, S Peterson, DJ Valenstein, JS Lin, VSY Trewyn, BG Lyznik, LA Wang, K AF Martin-Ortigosa, Susana Peterson, David J. Valenstein, Justin S. Lin, Victor S. -Y. Trewyn, Brian G. Lyznik, L. Alexander Wang, Kan TI Mesoporous Silica Nanoparticle-Mediated Intracellular Cre Protein Delivery for Maize Genome Editing via loxP Site Excision SO PLANT PHYSIOLOGY LA English DT Article ID EMBRYONIC STEM-CELLS; TRANSGENIC PLANTS; BIOLISTIC METHOD; FUSION PROTEIN; MESSENGER-RNA; DNA EXCISION; MARKER GENES; WILD-TYPE; RECOMBINASE; INTEGRATION AB The delivery of proteins instead of DNA into plant cells allows for a transient presence of the protein or enzyme that can be useful for biochemical analysis or genome modifications. This may be of particular interest for genome editing, because it can avoid DNA (transgene) integration into the genome and generate precisely modified "nontransgenic" plants. In this work, we explore direct protein delivery to plant cells using mesoporous silica nanoparticles (MSNs) as carriers to deliver Cre recombinase protein into maize (Zea mays) cells. Cre protein was loaded inside the pores of gold-plated MSNs, and these particles were delivered by the biolistic method to plant cells harboring loxP sites flanking a selection gene and a reporter gene. Cre protein was released inside the cell, leading to recombination of the loxP sites and elimination of both genes. Visual selection was used to select recombination events from which fertile plants were regenerated. Up to 20% of bombarded embryos produced calli with the recombined loxP sites under our experimental conditions. This direct and reproducible technology offers an alternative for DNA-free genome-editing technologies in which MSNs can be tailored to accommodate the desired enzyme and to reach the desired tissue through the biolistic method. C1 [Martin-Ortigosa, Susana; Wang, Kan] Iowa State Univ, Ctr Plant Transformat, Inst Plant Sci, Ames, IA 50011 USA. [Martin-Ortigosa, Susana; Wang, Kan] Iowa State Univ, Dept Agron, Ames, IA 50011 USA. [Peterson, David J.; Lyznik, L. Alexander] DuPont Pioneer, Johnston, IA 50131 USA. [Valenstein, Justin S.; Lin, Victor S. -Y.; Trewyn, Brian G.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Valenstein, Justin S.; Lin, Victor S. -Y.; Trewyn, Brian G.] US DOE, Ames Lab, Ames, IA 50011 USA. RP Wang, K (reprint author), Iowa State Univ, Ctr Plant Transformat, Inst Plant Sci, Ames, IA 50011 USA. EM kanwang@iastate.edu FU U.S. Department of Agriculture National Institute of Food and Agriculture [IOW05162]; State of Iowa funds; DuPont Pioneer FX This work was supported in part by the U.S. Department of Agriculture National Institute of Food and Agriculture (Hatch project no. IOW05162), by State of Iowa funds, and by DuPont Pioneer. NR 53 TC 17 Z9 17 U1 6 U2 35 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 EI 1532-2548 J9 PLANT PHYSIOL JI Plant Physiol. PD FEB PY 2014 VL 164 IS 2 BP 537 EP 547 DI 10.1104/pp.113.233650 PG 11 WC Plant Sciences SC Plant Sciences GA AA5JN UT WOS:000331132300004 PM 24376280 ER PT J AU Kim, JI Ciesielski, PN Donohoe, BS Chapple, C Li, X AF Kim, Jeong Im Ciesielski, Peter N. Donohoe, Bryon S. Chapple, Clint Li, Xu TI Chemically Induced Conditional Rescue of the Reduced Epidermal Fluorescence8 Mutant of Arabidopsis Reveals Rapid Restoration of Growth and Selective Turnover of Secondary Metabolite Pools SO PLANT PHYSIOLOGY LA English DT Article ID SYSTEMIC ACQUIRED-RESISTANCE; PHENYLALANINE AMMONIA-LYASE; CINNAMOYL-COA REDUCTASE; CELL-WALL; DOWN-REGULATION; SALICYLIC-ACID; PLANT-GROWTH; LIGNIN BIOSYNTHESIS; TRANSGENIC TOBACCO; GENE-EXPRESSION AB The phenylpropanoid pathway is responsible for the biosynthesis of diverse and important secondary metabolites including lignin and flavonoids. The reduced epidermal fluorescence8 (ref8) mutant of Arabidopsis (Arabidopsis thaliana), which is defective in a lignin biosynthetic enzyme p-coumaroyl shikimate 3'-hydroxylase (C3'H), exhibits severe dwarfism and sterility. To better understand the impact of perturbation of phenylpropanoid metabolism on plant growth, we generated a chemically inducible C3'H expression construct and transformed it into the ref8 mutant. Application of dexamethasone to these plants greatly alleviates the dwarfism and sterility and substantially reverses the biochemical phenotypes of ref8 plants, including the reduction of lignin content and hyperaccumulation of flavonoids and p-coumarate esters. Induction of C3'H expression at different developmental stages has distinct impacts on plant growth. Although early induction effectively restored the elongation of primary inflorescence stem, application to 7-week-old plants enabled them to produce new rosette inflorescence stems. Examination of hypocotyls of these plants revealed normal vasculature in the newly formed secondary xylem, presumably restoring water transport in the mutant. The ref8 mutant accumulates higher levels of salicylic acid than the wild type, but depletion of this compound in ref8 did not relieve the mutant's growth defects, suggesting that the hyperaccumulation of salicylic acid is unlikely to be responsible for dwarfism in this mutant. C1 [Kim, Jeong Im; Chapple, Clint] Purdue Univ, Dept Biochem, W Lafayette, IN 47907 USA. [Ciesielski, Peter N.; Donohoe, Bryon S.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Li, Xu] N Carolina State Univ, Dept Plant & Microbial Biol, Raleigh, NC 27695 USA. [Li, Xu] N Carolina State Univ, Plants Human Hlth Inst, Kannapolis, NC 28081 USA. RP Li, X (reprint author), N Carolina State Univ, Dept Plant & Microbial Biol, Raleigh, NC 27695 USA. EM sirius_li@ncsu.edu FU Center for Direct Catalytic Conversion of Biomass to Biofuels, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0000997]; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-FG02-07ER15905] FX This work was supported by the Center for Direct Catalytic Conversion of Biomass to Biofuels, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (award no. DE-SC0000997), and the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy (award no. DE-FG02-07ER15905). NR 69 TC 12 Z9 12 U1 3 U2 32 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 EI 1532-2548 J9 PLANT PHYSIOL JI Plant Physiol. PD FEB PY 2014 VL 164 IS 2 BP 584 EP 595 DI 10.1104/pp.113.229393 PG 12 WC Plant Sciences SC Plant Sciences GA AA5JN UT WOS:000331132300008 PM 24381065 ER PT J AU Ream, TS Woods, DP Schwartz, CJ Sanabria, CP Mahoy, JA Walters, EM Kaeppler, HF Amasino, RM AF Ream, Thomas S. Woods, Daniel P. Schwartz, Christopher J. Sanabria, Claudia P. Mahoy, Jill A. Walters, Eric M. Kaeppler, Heidi F. Amasino, Richard M. TI Interaction of Photoperiod and Vernalization Determines Flowering Time of Brachypodium distachyon SO PLANT PHYSIOLOGY LA English DT Article ID AGROBACTERIUM-MEDIATED TRANSFORMATION; PSEUDO-RESPONSE-REGULATOR; BARLEY HORDEUM-VULGARE; MADS-BOX GENES; ARABIDOPSIS-THALIANA; NATURAL VARIATION; FT PROTEIN; LOCUS-C; MOLECULAR CHARACTERIZATION; MAJOR DETERMINANT AB Timing of flowering is key to the reproductive success of many plants. In temperate climates, flowering is often coordinated with seasonal environmental cues such as temperature and photoperiod. Vernalization is an example of temperature influencing the timing of flowering and is defined as the process by which a prolonged exposure to the cold of winter results in competence to flower during the following spring. In cereals, three genes (VERNALIZATION1 [VRN1], VRN2, and FLOWERING LOCUS T [FT]) have been identified that influence the vernalization requirement and are thought to form a regulatory loop to control the timing of flowering. Here, we characterize natural variation in the vernalization and photoperiod responses in Brachypodium distachyon, a small temperate grass related to wheat (Triticum aestivum) and barley (Hordeum vulgare). Brachypodium spp. accessions display a wide range of flowering responses to different photoperiods and lengths of vernalization. In addition, we characterize the expression patterns of the closest homologs of VRN1, VRN2 (VRN2-like [BdVRN2L]), and FT before, during, and after cold exposure as well as in different photoperiods. FT messenger RNA levels generally correlate with flowering time among accessions grown in different photoperiods, and FT is more highly expressed in vernalized plants after cold. VRN1 is induced by cold in leaves and remains high following vernalization. Plants overexpressing VRN1 or FT flower rapidly in the absence of vernalization, and plants overexpressing VRN1 exhibit lower BdVRN2L levels. Interestingly, BdVRN2L is induced during cold, which is a difference in the behavior of BdVRN2L compared with wheat VRN2 during cold. C1 [Ream, Thomas S.; Woods, Daniel P.; Schwartz, Christopher J.; Sanabria, Claudia P.; Walters, Eric M.; Amasino, Richard M.] Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA. [Woods, Daniel P.] Univ Wisconsin, Genet Lab, Madison, WI 53706 USA. [Mahoy, Jill A.; Kaeppler, Heidi F.] Univ Wisconsin, Dept Agron, Madison, WI 53706 USA. [Ream, Thomas S.; Woods, Daniel P.; Schwartz, Christopher J.; Mahoy, Jill A.; Kaeppler, Heidi F.; Amasino, Richard M.] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, US DOE, Madison, WI 53706 USA. RP Amasino, RM (reprint author), Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA. EM amasino@biochem.wisc.edu OI Woods, Daniel/0000-0002-1498-5707 FU College of Agricultural and Life Sciences; Graduate School of the University of Wisconsin; Great Lakes Bioenergy Research Center (Department of Energy Biological and Environmental Research Office of Science) [DE-FCO2- 07ER64494]; National Science Foundation [IOS-1258126]; National Institutes of Health; University of Wisconsin Genetics Training Program; Research Center of the National Federation of Coffee Growers from Colombia; Fulbright Fellowship FX This work was supported by the College of Agricultural and Life Sciences and the Graduate School of the University of Wisconsin, the Great Lakes Bioenergy Research Center (Department of Energy Biological and Environmental Research Office of Science grant no. DE-FCO2- 07ER64494), the National Science Foundation (grant no. IOS-1258126), a National Institutes of Health-sponsored predoctoral training fellowship to the University of Wisconsin Genetics Training Program (to D.W.), the Research Center of the National Federation of Coffee Growers from Colombia (Cenicafe; to C.P.S.), and a Fulbright Fellowship (to C.P.S.). NR 86 TC 32 Z9 32 U1 6 U2 52 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 EI 1532-2548 J9 PLANT PHYSIOL JI Plant Physiol. PD FEB PY 2014 VL 164 IS 2 BP 694 EP 709 DI 10.1104/pp.113.232678 PG 16 WC Plant Sciences SC Plant Sciences GA AA5JN UT WOS:000331132300016 PM 24357601 ER PT J AU Jallet, D Thurotte, A Leverenz, RL Perreau, F Kerfeld, CA Kirilovsky, D AF Jallet, Denis Thurotte, Adrien Leverenz, Ryan L. Perreau, Francois Kerfeld, Cheryl A. Kirilovsky, Diana TI Specificity of the Cyanobacterial Orange Carotenoid Protein: Influences of Orange Carotenoid Protein and Phycobilisome Structures SO PLANT PHYSIOLOGY LA English DT Article ID SYNECHOCYSTIS PCC 6803; ENERGY-TRANSFER; PHOTOPROTECTIVE MECHANISM; SPIRULINA-PLATENSIS; CRYSTAL-STRUCTURE; PHOTOSYSTEM-II; SP PCC-6803; MUTANT; COMPLEX; SITE AB Cyanobacteria have developed a photoprotective mechanism that decreases the energy arriving at the reaction centers by increasing thermal energy dissipation at the level of the phycobilisome (PB), the extramembranous light-harvesting antenna. This mechanism is triggered by the photoactive Orange Carotenoid Protein (OCP), which acts both as the photosensor and the energy quencher. The OCP binds the core of the PB. The structure of this core differs in diverse cyanobacterial strains. Here, using two isolated OCPs and four classes of PBs, we demonstrated that differences exist between OCPs related to PB binding, photoactivity, and carotenoid binding. Synechocystis PCC 6803 (hereafter Synechocystis) OCP, but not Arthrospira platensis PCC 7345 (hereafter Arthrospira) OCP, can attach echinenone in addition to hydroxyechinenone. Arthrospira OCP binds more strongly than Synechocystis OCP to all types of PBs. Synechocystis OCP can strongly bind only its own PB in 0.8 M potassium phosphate. However, if the Synechocystis OCP binds to the PB at very high phosphate concentrations (approximately 1.4 M), it is able to quench the fluorescence of any type of PB, even those isolated from strains that lack the OCP-mediated photoprotective mechanism. Thus, the determining step for the induction of photoprotection is the binding of the OCP to PBs. Our results also indicated that the structure of PBs, at least in vitro, significantly influences OCP binding and the stabilization of OCP-PB complexes. Finally, the fact that the OCP induced large fluorescence quenching even in the two-cylinder core of Synechococcus elongatus PBs strongly suggested that OCP binds to one of the basal allophycocyanin cylinders. C1 [Jallet, Denis; Thurotte, Adrien; Kirilovsky, Diana] Commissariat Energie Atom, Inst Biol & Technol Saclay, F-91191 Gif Sur Yvette, France. [Jallet, Denis; Thurotte, Adrien; Kirilovsky, Diana] Ctr Natl Rech Sci, Unite Mixte Rech 8221, F-91191 Gif Sur Yvette, France. [Leverenz, Ryan L.; Kerfeld, Cheryl A.] Michigan State Univ, Plant Res Lab, E Lansing, MI 48824 USA. [Perreau, Francois] Inst Natl Rech Agron Versailles Grignon, Inst Natl Rech Agron AgroParisTech, Inst Jean Pierre Bourgin, Unite Mixte Rech 1318, F-78026 Versailles, France. [Kerfeld, Cheryl A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Kerfeld, Cheryl A.] Univ Calif Berkeley, Berkeley Synthet Biol Inst, Berkeley, CA 94720 USA. RP Kirilovsky, D (reprint author), Commissariat Energie Atom, Inst Biol & Technol Saclay, F-91191 Gif Sur Yvette, France. EM diana.kirilovsky@cea.fr OI Thurotte, Adrien/0000-0002-3808-1913 FU Agence Nationale de la Recherche (project CYANOPROTECT); Centre National de la Recherche Scientifique; Commissariat a l'Energie Atomique; HARVEST European Union FP7 Marie Curie Research Training Network; Paris-Saclay University; IDEX Paris-Saclay; National Science Foundation Division of Molecular and Cellular Biosciences [0851094]; National Science Foundation [MCB 0851094]; Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy [DE-FG02-91ER20021] FX This work was supported by the Agence Nationale de la Recherche (project CYANOPROTECT), the Centre National de la Recherche Scientifique, the Commissariat a l'Energie Atomique, and the HARVEST European Union FP7 Marie Curie Research Training Network, by fellowships from the Paris-Saclay University (to D.J.) and the IDEX Paris-Saclay (to A.T.), by the National Science Foundation Division of Molecular and Cellular Biosciences (grant no. 0851094 to R.L.L. and C.A.K.), by the National Science Foundation (grant no. MCB 0851094 to R.L.L. and C.A.K.), and by the Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy (grant no. DE-FG02-91ER20021 to R.L.L. and C.A.K.). NR 48 TC 10 Z9 10 U1 2 U2 43 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 EI 1532-2548 J9 PLANT PHYSIOL JI Plant Physiol. PD FEB PY 2014 VL 164 IS 2 BP 790 EP 804 DI 10.1104/pp.113.229997 PG 15 WC Plant Sciences SC Plant Sciences GA AA5JN UT WOS:000331132300023 PM 24335507 ER PT J AU Halverson, JD Smrek, J Kremer, K Grosberg, AY AF Halverson, Jonathan D. Smrek, Jan Kremer, Kurt Grosberg, Alexander Y. TI From a melt of rings to chromosome territories: the role of topological constraints in genome folding SO REPORTS ON PROGRESS IN PHYSICS LA English DT Review DE protein folding; DNA; genome; chromatin; genome folding; polymer physics; biological physics ID INTERPHASE CHROMOSOMES; LIVING CELLS; CHROMATIN ORGANIZATION; POLYMER MODELS; POOR SOLVENTS; NUCLEAR ARCHITECTURE; COMPUTER-SIMULATION; MITOTIC CHROMOSOMES; MOLECULAR-DYNAMICS; NEUTRON-SCATTERING AB We review pro and contra of the hypothesis that generic polymer properties of topological constraints are behind many aspects of chromatin folding in eukaryotic cells. For that purpose, we review, first, recent theoretical and computational findings in polymer physics related to concentrated, topologically simple (unknotted and unlinked) chains or a system of chains. Second, we review recent experimental discoveries related to genome folding. Understanding in these fields is far from complete, but we show how looking at them in parallel sheds new light on both. C1 [Halverson, Jonathan D.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Smrek, Jan; Grosberg, Alexander Y.] NYU, Dept Phys, New York, NY 10003 USA. [Smrek, Jan; Grosberg, Alexander Y.] NYU, Ctr Soft Matter Res, New York, NY 10003 USA. [Kremer, Kurt] Max Planck Inst Polymer Res, D-55128 Mainz, Germany. RP Grosberg, AY (reprint author), NYU, Dept Phys, 4 Washington Pl, New York, NY 10003 USA. EM ayg1@nyu.edu RI Kremer, Kurt/G-5652-2011; MPIP, Theory/I-9884-2014; Grosberg, Alexander/O-2122-2015 OI Grosberg, Alexander/0000-0002-4230-8690 FU National Science Foundation [NSF PHY11-25915]; Alexander von Humboldt Foundation through a Senior Scientist Award; US Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors acknowledge useful discussions with Robijn Bruinsma, Job Dekker, Ralf Everaers, Yuval Garini, Gary Grest, Maxim Imakaev, Erez Lieberman- Aiden, Ron Milo, Leonid Mirny, Sergei Nechaev, Rob Phillips, Yitzhak Rabin, Michael Rubinstein, Jean- Louis Sikorav, Jean- Marc Victor, Edouard Yeramian, Alexandra Zidovska, Christophe Zimmer. This research was supported in part by the National Science Foundation under Grant No. NSF PHY11-25915. KK, JS, and AYG acknowledge the hospitality of KITP Santa Barbara where part of this work was completed. KK acknowledges the hospitality of the Center for Soft Matter Research at NYU and AYG acknowledges the support from the Alexander von Humboldt Foundation through a Senior Scientist Award to spend time at the MPI for Polymer Research. Research carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the US Department of Energy, Office of Basic Energy Sciences, under contract no. DE-AC02-98CH10886. NR 173 TC 54 Z9 54 U1 7 U2 63 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0034-4885 EI 1361-6633 J9 REP PROG PHYS JI Rep. Prog. Phys. PD FEB PY 2014 VL 77 IS 2 AR 022601 DI 10.1088/0034-4885/77/2/022601 PG 24 WC Physics, Multidisciplinary SC Physics GA AA6FK UT WOS:000331194000001 PM 24472896 ER PT J AU Sment, J Ho, CK Moya, AC Ghanbari, CM AF Sment, Jeremy Ho, Clifford K. Moya, Adam C. Ghanbari, Cheryl M. TI Long-distance flux mapping using low-cost collimated pyranometers SO SOLAR ENERGY LA English DT Article DE Collimated pyranometers; Flux mapping; Heliostat; Beam characterization AB Concentrating solar thermal power tower plants with capacities of 100 MWe or greater require large heliostat fields with heliostats over 1500 m (nearly a mile) away from the tower. The accuracy and performance of these heliostats must be evaluated and understood as new heliostat designs emerge to reduce costs. Conventional beam characterization systems that use photographs of the reflected beam on a tower-mounted target are typically not large enough to capture the beam at long distances, and the magnitude of the irradiance for long-distance heliostats is quite low (only a fraction of a sun), which can make the beam image difficult to discern from the ambient lighting on the target. The Long-Range Heliostat Target (LRHT) implements a technique for mapping low density flux images from heliostats and reflectors at slant ranges up to approximately 1700 m. The LRHT is a vertical array of collimated pyranometers deployed to a test site via flat-bed trailer and quickly erected on an aluminum truss tower. Once the sensors have been aimed at the heliostat, the heliostat beam is swept azimuthally across the array whereupon the data is stitched into a flux map indicating horizontal and vertical beam dimensions and flux intensities. The LRHT was used to evaluate and compare beam shape, peak flux, and total power of heliostats and single facet reflectors at distances from 300 to 1700 m. Results were compared to theoretically rendered flux maps created by computational ray tracing algorithms, and to photographs taken on the beam characterization system (BCS) at the National Solar Thermal Test Facility at Sandia National Laboratories. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Sment, Jeremy; Ho, Clifford K.; Moya, Adam C.; Ghanbari, Cheryl M.] Sandia Natl Labs, Concentrating Solar Technol Dept, Albuquerque, NM 87185 USA. RP Sment, J (reprint author), Sandia Natl Labs, Concentrating Solar Technol Dept, POB 5800, Albuquerque, NM 87185 USA. EM jsment@sandia.gov; ckho@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Bill Boyson for his helpful discussions on the use of collimated pyranometers. 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 5 TC 0 Z9 0 U1 1 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD FEB PY 2014 VL 100 BP 76 EP 83 DI 10.1016/j.solener.2013.10.034 PG 8 WC Energy & Fuels SC Energy & Fuels GA AA3QP UT WOS:000331007700008 ER PT J AU Levinson, R Chen, S Berdahl, P Rosado, P Medina, LA AF Levinson, Ronnen Chen, Sharon Berdahl, Paul Rosado, Pablo Medina, Louis A. TI Reflectometer measurement of roofing aggregate albedo SO SOLAR ENERGY LA English DT Article DE Albedo; Roofing aggregate; Solar reflectometer; Pyranometer ID SOLAR REFLECTANCE; HEAT GAIN AB A solar reflectometer is commonly used to determine the albedo of roofing products. This study validates against pyranometer measurements of albedo three new methods for solar reflectometer measurement of the albedo of the irregular surface presented by a bed of roofing aggregate. Method A determines the albedo of an aggregate bed by averaging many reflectometer readings of a small sample of aggregate. Method B relates the albedo of the aggregate bed to reflectometer measurements of the albedo of an opaquely thick pile of finely crushed aggregate. Method C relates the albedo of the aggregate bed to reflectometer measurements of the albedo of a faux roofing shingle surfaced with finely crushed aggregate. When applied to the 17 specimens tested in this study, Method A worked well for all but the largest aggregates; Methods B and C worked well for all aggregates. The absolute mean error of each method was less than 0.01, and the RMS error of each method did not exceed 0.021. As an ancillary note, we find that beds of mineral particles have albedos that decrease with increasing particle size, up to sizes at which the particles become opaque to sunlight. (C) 2013 Published by Elsevier Ltd. C1 [Levinson, Ronnen; Chen, Sharon; Berdahl, Paul; Rosado, Pablo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Heat Isl Grp, Berkeley, CA 94720 USA. [Medina, Louis A.] A 1 Grit Co, Riverside, CA USA. RP Levinson, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Heat Isl Grp, Berkeley, CA 94720 USA. EM RML27@cornell.edu FU California Energy Commission (CEC); Cool Roof Rating Council (CRRC); Office of Building Technology, State, and Community Programs, of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the California Energy Commission (CEC) through its Public Interest Energy Research Program (PIER), and by the Cool Roof Rating Council (CRRC). It was also supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, State, and Community Programs, of the US Department of Energy under Contract No. DE-AC02-05CH11231. We wish to thank Harold Newman and Amber Dobson, A-1 Grit; Payam Bozorgchami and Chris Scruton, California Energy Commission; and Jordan Woods, Lawrence Berkeley National Laboratory. We also thank Randy Nettleton of Gerard Roofing Technologies, who provided the white acrylic coating used as an adhesive to fabricate durable faux shingles. NR 42 TC 5 Z9 5 U1 0 U2 8 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD FEB PY 2014 VL 100 BP 159 EP 171 DI 10.1016/j.solener.2013.11.006 PG 13 WC Energy & Fuels SC Energy & Fuels GA AA3QP UT WOS:000331007700016 ER PT J AU Paranthaman, MP Aytug, T Stan, L Jia, QX Cantoni, C Wee, SH AF Paranthaman, M. Parans Aytug, Tolga Stan, Liliana Jia, Quanxi Cantoni, Claudia Wee, Sung Hun TI Chemical solution derived planarization layers for highly aligned IBAD-MgO templates SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article DE YBCO-coated conductors; IBAD-MgO substrates; chemical solution process; buffer layers; superconducting properties ID ASSISTED DEPOSITION MGO; COATED CONDUCTORS; SUPERCONDUCTOR; GROWTH; FILMS; WIRES AB The main goal of this research is to develop a chemical solution derived planarization layer to fabricate highly aligned IBAD-MgO templates for the development of high temperature superconductor (HTS) based coated conductors. The standard IBAD-MgO template needs an additional electrochemical polishing step of the mechanically polished 50 mu m-thick Hastelloy C-276 substrates to ensure a flat and smooth surface for subsequent growth of multi-layer buffer architectures, which include: sputtered 80 nm Al2O3; sputtered 7 nm Y2O3; IBAD 10 nm MgO; sputtered 30 nm homo-epi MgO; and sputtered 30 nm LaMnO3 (LMO) layers. We have successfully developed a solution planarization layer that removes the electrochemical polishing step and also acts as a barrier layer. Crack-free, smooth Al2O3 layers were prepared on mechanically polished Hastelloy substrates using a chemical solution process. The average surface roughness value, R-a, for a starting substrate was 9-10 nm. After eight coatings of Al2O3 layer, the R-a was reduced to 2 nm. Highly aligned IBAD-MgO layers with out-of-plane and in-plane textures comparable to the standard IBAD-MgO layers were successfully deposited on top of the solution planarization Al2O3 layers with an Y2O3 nucleation layer using a reel-to-reel ion-beam sputtering system. Both homo-epi MgO and LMO layers were subsequently deposited on the IBAD-MgO layers using RF sputtering to complete the buffer stack required for the growth of HTS films. YBa2Cu3O7-delta (YBCO) films with a thickness of 0.8 mu m deposited on these IBAD-MgO templates by pulsed laser deposition showed a high self-field critical current density, J(c), of 3.04 MA cm(-2) at 77 K and 6.05 MA cm(-2) at 65 K. These results demonstrate that a low-cost chemical-solution-based, high-throughput Al2O3 planarization layer can remove the electro-polishing step and replace sputtered Al2O3 layers for the production of high J(c) YBCO-coated conductors. C1 [Paranthaman, M. Parans; Aytug, Tolga; Cantoni, Claudia; Wee, Sung Hun] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Stan, Liliana; Jia, Quanxi] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Paranthaman, MP (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM paranthamanm@ornl.gov RI Jia, Q. X./C-5194-2008; Paranthaman, Mariappan/N-3866-2015; Cantoni, Claudia/G-3031-2013 OI Paranthaman, Mariappan/0000-0003-3009-8531; Cantoni, Claudia/0000-0002-9731-2021 FU US Department of Energy, Office of Electricity Delivery and Energy Reliability-Advanced Conductors and Cables Program; Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility at Los Alamos National Laboratory; Materials Sciences and Engineering Division, Office of Basic Energy Sciences, US Department of Energy; ORNL's Center for Nanophase Materials Sciences (CNMS); Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX This work was sponsored by the US Department of Energy, Office of Electricity Delivery and Energy Reliability-Advanced Conductors and Cables Program. QXJ acknowledges support from the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility at Los Alamos National Laboratory. CC acknowledges the support by the Materials Sciences and Engineering Division, Office of Basic Energy Sciences, US Department of Energy, and through a user project supported by ORNL's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 22 TC 10 Z9 10 U1 4 U2 56 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 EI 1361-6668 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD FEB PY 2014 VL 27 IS 2 AR 022002 DI 10.1088/0953-2048/27/2/022002 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AA5NO UT WOS:000331146800002 ER PT J AU Habenicht, BF Teng, D Semidey-Flecha, L Sholl, DS Xu, Y AF Habenicht, Bradley F. Teng, Dieh Semidey-Flecha, Lymarie Sholl, David S. Xu, Ye TI Adsorption and Diffusion of 4d and 5d Transition Metal Adatoms on Graphene/Ru(0001) and the Implications for Cluster Nucleation SO TOPICS IN CATALYSIS LA English DT Article DE DFT; Diffusion; Graphene; Ru(0001); Nanoparticles ID SCANNING-TUNNELING-MICROSCOPY; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; MODEL CATALYSTS; GRAPHENE; SURFACES; GROWTH; RU(0001); NANOCLUSTERS; DEPOSITION AB To explore the possibility of using the graphene moir, superstructure formed on Ru(0001) (g/Ru(0001)) as a template to self-assemble super-lattices of metal nanoparticles as model catalysts, it is desirable to know the minimum-energy adsorption sites, adsorption energies, and diffusion properties of small metal species on this surface. Toward that end, density functional theory calculations have been carried out to investigate the adsorption and diffusion of 18 4d (Y-Ag) and 5d (La-Au) transition metal adatoms on g/Ru(0001), using small surface models representing different regions of the g/Ru(0001) surface. For each adatom, adsorption is the strongest in the fcc region and the weakest in the mound region of the moir,. Diffusion within the fcc region is facile for most adatoms, but an additional barrier is imposed by the corrugation of the graphene moir, for traversing between neighboring fcc regions. Overall, the earlier 4d and 5d metal adatoms have stronger adsorption energies and higher diffusion barriers on g/Ru(0001) than the later ones. The results are then interpreted to provide a better understanding of the conditions necessary to achieve dense super-lattices of monodisperse metal clusters on g/Ru(0001). C1 [Habenicht, Bradley F.; Semidey-Flecha, Lymarie; 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; Energy Frontier Research Center; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-SC0001058]; DOE Office of Science [DE-AC02-05CH11231] FX We congratulate Prof. Jens K. Norskov on his 60th birthday, and thank him for the tremendous leadership and inspiration that he has provided to the field of computational catalysis and surface science. This study was supported as part of the Center for Atomic Level Catalyst Design, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences under Award Number DE-SC0001058, and used resources of the National Energy Research Scientific Computing Center, which is supported by DOE Office of Science under Contract DE-AC02-05CH11231. Additional computing resources of Oak Ridge National Laboratory and Georgia Institute of Technology were used. NR 85 TC 11 Z9 11 U1 4 U2 58 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD FEB PY 2014 VL 57 IS 1-4 BP 69 EP 79 DI 10.1007/s11244-013-0163-6 PG 11 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA AA1AX UT WOS:000330829600008 ER PT J AU Yang, L Liu, P AF Yang, Liu Liu, Ping TI Ethanol Synthesis from Syngas on Transition Metal-Doped Rh(111) Surfaces: A Density Functional Kinetic Monte Carlo Study SO TOPICS IN CATALYSIS LA English DT Article DE Ethanol synthesis; Syngas; Rhodium; Doping; DFT; KMC ID BIMETALLIC RHCU(111) SURFACES; HIGHER ALCOHOL SYNTHESIS; CO HYDROGENATION; SUPPORTED RHODIUM; RH-CATALYSTS; SELECTIVE HYDROGENATION; SYNTHESIS GAS; ATOMIC-SCALE; MECHANISM; ADSORPTION AB Advances in methodology, software and power of supercomputers make computational approaches, specifically, density functional theory (DFT), capable of providing qualitative, and in many cases quantitative, insights into catalysis. In this article we adopted a multiscale modeling paradigm in combination of DFT calculations and kinetic Monte Carlo (KMC) methods to provide better understanding of the promoting effect of doping metals (Fe, Mo, Mn) in ethanol synthesis from syngas on Rh(111). Our calculations show that metal-doping and the position of doped metals can have significant effects on the yield and selectivity of ethanol synthesis on Rh(111). Depending on the reaction conditions, Mo and Mn may stay either on the surface or in the subsurface region, while Fe prefers to stay at the surface and participate in the reaction directly. In term of the overall yield and ethanol yield, Mo-Rh(111) with Mo at the surface layer exhibits the highest activity, followed by Mn-Rh(111) with Mn at the subsurface > Fe-Rh(111) > Mo-Rh(111) with Mo at the subsurface, Mn-Rh(111) with Mn at the surface and Rh(111) in a decreasing sequence. In term of the ethanol selectivity, Fe-Rh(111) displays the highest to ethanol, followed by Mo-Rh(111) with Mo at the surface layer, Mn-Rh(111) with Mn at the subsurface > Mo-Rh(111) with Mo at the subsurface, Mn-Rh(111) with Mn at the surface and Rh(111) in a decreasing sequence. As long as Mo stays at the surface layer, Mo is the only dopant we studied here, being able to enhance both yield and selectivity of ethanol synthesis from syngas on Rh(111). Our results suggest that the design of alloy catalyst should be very careful and controlling the position of dopants is essential to the overall catalytic performance. C1 [Yang, Liu; Liu, Ping] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Liu, P (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM pingliu3@bnl.gov RI Yang, Liu/F-7135-2012 FU Brookhaven National Laboratory [DEAC02-98CH10886]; US Department of Energy, Division of Chemical Sciences FX The authors would like to acknowledge the help Dr. James Muckerman at Brookhaven National Laboratory for help in developing the KMC codes. This research was carried out at Brookhaven National Laboratory under contract DEAC02-98CH10886 with the US Department of Energy, Division of Chemical Sciences. The calculations were carried out using computational resources at the Center for Functional Nanomaterials at Brookhaven National Laboratory. NR 57 TC 7 Z9 7 U1 7 U2 80 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD FEB PY 2014 VL 57 IS 1-4 BP 125 EP 134 DI 10.1007/s11244-013-0168-1 PG 10 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA AA1AX UT WOS:000330829600013 ER PT J AU Johnson, AM Quezada, BR Marks, LD Stair, PC AF Johnson, Alexis M. Quezada, Brian R. Marks, Laurence D. Stair, Peter C. TI Influence of the Metal Oxide Substrate Structure on Vanadium Oxide Monomer Formation SO TOPICS IN CATALYSIS LA English DT Article DE Vanadium oxide; Strontium titanate; XPS; Surface structure ID ATOMIC LAYER DEPOSITION; DENSITY-FUNCTIONAL THEORY; THIN-FILMS; OXIDATIVE DEHYDROGENATION; MOLECULAR-STRUCTURE; SILICA SUPPORT; SURFACE; CATALYSTS; WATER; SPECTROSCOPY AB Vanadium oxide (VOx) molecular species supported on high surface area oxide supports are active catalysts for oxidative transformations of organic molecules. Since the reactivity of VOx species depends on their molecular structure, the understanding and control of factors that determine their structure would be useful in surface molecular catalyst design. Reactive adsorption of vanadyl triisopropoxide (VOTP) to form monomeric VOx species on amorphous Al2O3 and SrTiO3 (001) surfaces has been studied by X-ray photoelectron spectroscopy (XPS). Quantitative comparison of C(1s) and V(2p(3/2)) peak areas has been used to determine the number of isopropoxide ligands that are replaced by V-O surface bonds. On average, three V-O surface bonds are formed during adsorption on an amorphous Al2O3 surface, as expected in the formation of a tridentate, VO4 structure, typically assigned to monomeric, surface VOx species. On the SrTiO3 (001) surface, the number of V-O surface bonds depends on the oxygen density prior to reaction with VOTP. For adsorption on the SrTiO3 surface cleaned and oxygen-annealed in ultrahigh vacuum, the number of V-O surface bonds is ca. 2. When the SrTiO3 surface has been Ar-ion sputtered prior to VOTP adsorption, the number of V-O bonds is ca. 1. This study demonstrates that the atomic structure of the support can strongly influence the molecular nature of surface VOx species. C1 [Johnson, Alexis M.; Stair, Peter C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Quezada, Brian R.] Northwestern Univ, McCormick Sch Engn, Evanston, IL 60208 USA. [Marks, Laurence D.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Stair, Peter C.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Stair, PC (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM pstair@northwestern.edu RI Marks, Laurence/B-7527-2009 FU National Science Foundation [CHE-1058835]; Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy [DE-FG02-03-ER15457] FX This material is based upon work supported by the National Science Foundation under Grant No. CHE-1058835. Brian Quezada acknowledges support from Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy (Award DE-FG02-03-ER15457). NR 63 TC 3 Z9 3 U1 1 U2 46 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1022-5528 EI 1572-9028 J9 TOP CATAL JI Top. Catal. PD FEB PY 2014 VL 57 IS 1-4 BP 177 EP 187 DI 10.1007/s11244-013-0174-3 PG 11 WC Chemistry, Applied; Chemistry, Physical SC Chemistry GA AA1AX UT WOS:000330829600018 ER PT J AU Elliott, DC Hart, TR Neuenschwander, GG Rotness, LJ Roesijadi, G Zacher, AH Magnuson, JK AF Elliott, Douglas C. Hart, Todd R. Neuenschwander, Gary G. Rotness, Leslie J. Roesijadi, Guri Zacher, Alan H. Magnuson, Jon K. TI Hydrothermal Processing of Macroalgal Feedstocks in Continuous-Flow Reactors SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Hydrothermal; Liquefaction; Catalyst; Gasification; Aqueous phase; Macroalgae ID BIO-OIL; LIQUEFACTION; BIOMASS; BIOFUEL AB Wet macroalgal slurries have been converted into a biocrude by hydrothermal liquefaction (HTL) in a bench-scale continuous-flow reactor system. Carbon conversion to a gravity-separable oil product of 58.8% was accomplished at relatively low temperature (350 degrees C) in a pressurized (subcritical liquid water) environment (20 MPa) when using feedstock slurries with a 21.7% concentration of dry solids. As opposed to earlier work in batch reactors reported by others, direct oil recovery was achieved without the use of a solvent, and biomass trace mineral components were removed by processing steps so that they did not cause processing difficulties. In addition, catalytic hydrothermal gasification (CHG) was effectively applied for HTL byproduct water cleanup and fuel gas production from water-soluble organics. Conversion of 99.2% of the carbon left in the aqueous phase was demonstrated. As a result, high conversion of macroalgae to liquid and gas fuel products was found with low levels of residual organic contamination in byproduct water. Both process steps were accomplished in continuous-flow reactor systems such that design data for process scale-up was generated. C1 [Elliott, Douglas C.; Hart, Todd R.; Neuenschwander, Gary G.; Rotness, Leslie J.; Roesijadi, Guri; Zacher, Alan H.; Magnuson, Jon K.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Elliott, DC (reprint author), Pacific NW Natl Lab, POB 999,MSIN P8-60, Richland, WA 99352 USA. EM dougc.elliott@pnnl.gov OI Hart, Todd/0000-0001-8013-0689 FU U.S. Department of Energy through its Bioenergy Technologies Office (BETO) via the International Projects Platform; U.S. Department of Energy by Battelle [DE-AC06-76RL01830] FX The authors acknowledge the support for this research provided by the U.S. Department of Energy through its Bioenergy Technologies Office (BETO) via the International Projects Platform. Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by Battelle under Contract DE-AC06-76RL01830, and the initial portion of this work was performed as a Laboratory Directed Research and Development activity. Thanks are extended to the Dive Team at the Marine Science Laboratory, PNNL, Sequim, WA for making seaweed feedstock collections. NR 20 TC 7 Z9 7 U1 2 U2 55 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2168-0485 J9 ACS SUSTAIN CHEM ENG JI ACS Sustain. Chem. Eng. PD FEB PY 2014 VL 2 IS 2 BP 207 EP 215 DI 10.1021/sc400251p PG 9 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA AA0UH UT WOS:000330812400014 ER PT J AU Zaborin, A Defazio, JR Kade, M Kaiser, BLD Belogortseva, N Camp, DG Smith, RD Adkins, JN Kim, SM Alverdy, A Goldfeld, D Firestone, MA Collier, JH Jabri, B Tirrell, M Zaborina, O Alverdy, JC AF Zaborin, Alexander Defazio, Jennifer R. Kade, Matthew Kaiser, Brooke L. Deatherage Belogortseva, Natalia Camp, David G., II Smith, Richard D. Adkins, Joshua N. Kim, Sangman M. Alverdy, Alexandria Goldfeld, David Firestone, Millicent A. Collier, Joel H. Jabri, Bana Tirrell, Matthew Zaborina, Olga Alverdy, John C. TI Phosphate-Containing Polyethylene Glycol Polymers Prevent Lethal Sepsis by Multidrug-Resistant Pathogens SO ANTIMICROBIAL AGENTS AND CHEMOTHERAPY LA English DT Article ID GUT-DERIVED SEPSIS; PSEUDOMONAS-AERUGINOSA; PSTS; CELLS; NANOPARTICLES; PNEUMONIAE; ACTIVATION; EXPRESSION; VIRULENCE; REGULON AB Antibiotic resistance among highly pathogenic strains of bacteria and fungi is a growing concern in the face of the ability to sustain life during critical illness with advancing medical interventions. The longer patients remain critically ill, the more likely they are to become colonized by multidrug-resistant (MDR) pathogens. The human gastrointestinal tract is the primary site of colonization of manyMDR pathogens and is a major source of life-threatening infections due to these microorganisms. Eradication measures to sterilize the gut are difficult if not impossible and carry the risk of further antibiotic resistance. Here, we present a strategy to contain rather than eliminateMDRpathogens by using an agent that interferes with the ability of colonizing pathogens to express virulence in response to hostderived and local environmental factors. The antivirulence agent is a phosphorylated triblock high-molecular-weight polymer (here termed Pi-PEG 15-20) that exploits the known properties of phosphate (Pi) and polyethylene glycol 15-20 (PEG 15-20) to suppress microbial virulence and protect the integrity of the intestinal epithelium. The compound is nonmicrobiocidal and appears to be highly effective when tested both in vitro and in vivo. Structure functional analyses suggest that the hydrophobic bis-aromatic moiety at the polymer center is of particular importance to the biological function of Pi-PEG 15-20, beyond its phosphate content. Animal studies demonstrate that Pi-PEG prevents mortality in mice inoculated with multiple highly virulent pathogenic organisms from hospitalized patients in association with preservation of the core microbiome. C1 [Zaborin, Alexander; Defazio, Jennifer R.; Kade, Matthew; Belogortseva, Natalia; Kim, Sangman M.; Alverdy, Alexandria; Goldfeld, David; Collier, Joel H.; Jabri, Bana; Tirrell, Matthew; Zaborina, Olga; Alverdy, John C.] Univ Chicago, Chicago, IL 60637 USA. [Kade, Matthew; Firestone, Millicent A.; Tirrell, Matthew] Argonne Natl Labs, Argonne, IL USA. [Kaiser, Brooke L. Deatherage; Camp, David G., II; Smith, Richard D.; Adkins, Joshua N.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Alverdy, JC (reprint author), Univ Chicago, Chicago, IL 60637 USA. EM ozaborin@surgery.bsd.uchicago.edu; jalverdy@surgery.bsd.uchicago.edu RI Smith, Richard/J-3664-2012; OI Smith, Richard/0000-0002-2381-2349; Goldfeld, David/0000-0002-9469-4319 FU NIH [RO1 5R01GMO62344-12, P41GM103493-10]; DOE [DE-AC05-76RL01830]; Laboratory Directed Research and Development Program of the Argonne National Laboratory under U. S. Department of Energy [DE-AC02-06CH11357] FX This study was funded by NIH RO1 5R01GMO62344-12 (J.C.A.) and P41GM103493-10 (R.D.S.). Portions of the experimental work described herein were performed in the Environmental Molecular Sciences Laboratory (EMSL), a U.S. Department of Energy (DOE) national scientific user facility located at PNNL in Richland, WA. PNNL is a national laboratory operated by Battelle Memorial Institute for the DOE under contract DE-AC05-76RL01830. M.K. and M.T. were supported by the Laboratory Directed Research and Development Program of the Argonne National Laboratory under U. S. Department of Energy contract number DE-AC02-06CH11357. NR 36 TC 17 Z9 17 U1 5 U2 24 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0066-4804 EI 1098-6596 J9 ANTIMICROB AGENTS CH JI Antimicrob. Agents Chemother. PD FEB PY 2014 VL 58 IS 2 BP 966 EP 977 DI 10.1128/AAC.02183-13 PG 12 WC Microbiology; Pharmacology & Pharmacy SC Microbiology; Pharmacology & Pharmacy GA 302XD UT WOS:000330637500042 PM 24277029 ER PT J AU Trugman, DT Dunham, EM AF Trugman, Daniel T. Dunham, Eric M. TI A 2D Pseudodynamic Rupture Model Generator for Earthquakes on Geometrically Complex Faults SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID GROUND-MOTION PREDICTION; RATE-WEAKENING FRICTION; SOURCE PARAMETERS; DYNAMICS; VELOCITY; SLIP; STRESS; HETEROGENEITY; SIMULATIONS; PLASTICITY AB Geologic observations indicate that faults are fractally rough surfaces, with deviations from planarity at all length scales. Fault roughness introduces complexity in the rupture process and resulting ground motion. We present a 2D kinematic rupture generator that emulates the strong dependence of earthquake source parameters on local fault geometry observed in dynamic models of ruptures on nonplanar faults. This pseudodynamic model is based on a statistical analysis of ensembles of 2D plane strain rupture simulations on fractally rough faults with rate-weakening friction and off-fault viscoplasticity. We observe strong anticorrelation of roughness-induced fluctuations in final slip, rupture velocity, and peak slip velocity with the local fault slope for right-lateral strike-slip ruptures. Spatial variability in these source parameters excites high-frequency seismic waves that are consistent with observed strong-motion records. Although accurate modeling of this high-frequency motion is critical to seismic-hazard analysis, dynamic rupture simulations are currently too computationally inefficient to be of practical use in such applications. We find that the seismic waves excited by the pseudodynamic model have similar intensity and spectral content to the corresponding dynamic model. Although the method has been developed in 2D, we envision that a similar approach could be taken for the 3D problem, provided that computational resources are available to generate an ensemble set of 3D dynamic rupture simulations. The resulting methodology is expected to find future application in efficient earthquake simulations that accurately quantify high-frequency ground motion. C1 [Trugman, Daniel T.; Dunham, Eric M.] Stanford Univ, Dept Geophys, Stanford, CA 94305 USA. RP Trugman, DT (reprint author), Los Alamos Natl Lab, Geophys Grp EES 17, POB 1663, Los Alamos, NM 87545 USA. OI Trugman, Daniel/0000-0002-9296-4223 FU NSF [OCI-1148493]; Southern California Earthquake Center (SCEC) [EAR-0529922]; U.S. Geological Survey (USGS) [07HQAG0008, 1763] FX This research was supported by NSF Grant OCI-1148493 and the Southern California Earthquake Center (SCEC) as funded by Cooperative Agreements EAR-0529922 and U.S. Geological Survey (USGS) 07HQAG0008 (SCEC Contribution Number 1763). We thank Greg Beroza for stimulating discussions that helped initiate this project and Zijun Fang for providing his dynamic rupture simulation data. We also thank Associate Editor L.A. Dalguer and two reviewers, S.G. Song and M. Mai, for their comments that helped improve this manuscript. NR 73 TC 11 Z9 11 U1 0 U2 9 PU SEISMOLOGICAL SOC AMER PI ALBANY PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA SN 0037-1106 EI 1943-3573 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD FEB PY 2014 VL 104 IS 1 BP 95 EP 112 DI 10.1785/0120130138 PG 18 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 302CT UT WOS:000330579800006 ER PT J AU Wu, CQ Meng, XF Peng, ZG Ben-Zion, Y AF Wu, Chunquan Meng, Xiaofeng Peng, Zhigang Ben-Zion, Yehuda TI Lack of Spatiotemporal Localization of Foreshocks before the 1999 M-w 7.1 Duzce, Turkey, Earthquake SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID IZMIT EARTHQUAKE; NUCLEATION; CALIFORNIA; SEQUENCE; PROPAGATION; RUPTURE; SLIP AB We use a matched-filter technique to detect small seismic events before the M-w 7.1 Duzce earthquake that are not included in the regular catalog. The study employs extensive waveform dataset recorded by a 10-station fault zone array near the epicenter of the Duzce earthquake, deployed about three months before the event. We use 3134 earthquakes within 20 km of the Duzce epicenter listed in the local catalog as templates to scan through waveforms recorded within similar to 65 hours before the Duzce earthquake. The analysis reveals 262 newly detected events in this time interval, which is similar to 5 times more than the 55 events listed in the original catalog. Most of the events occur to the west of the Duzce epicenter, which was initiated between a more active western and relatively quite eastern fault segments. The results do not indicate a localizing foreshock process that accelerates in time and/or involves progressive concentration of activity around the mainshock hypocenter during the preceding 65 hour period. Instead, we find that the Duzce source region becomes less active during the similar to 20 hours immediately before the mainshock. Our results, together with other recent studies, suggest that progressive acceleration and localization of foreshocks around the mainshock epicenter is not a general phenomenon. C1 [Wu, Chunquan] Los Alamos Natl Lab, Geophys Grp, Los Alamos, NM 87545 USA. [Meng, Xiaofeng; Peng, Zhigang] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Ben-Zion, Yehuda] Univ So Calif, Dept Earth Sci, Los Angeles, CA 90089 USA. RP Wu, CQ (reprint author), Los Alamos Natl Lab, Geophys Grp, POB 1663, Los Alamos, NM 87545 USA. EM cwu@lanl.gov FU National Science Foundation [EAR-0956051, EAR-1321550, EAR-1141944] FX We thank IRIS DMC for providing the triggered mode seismic data in the last three days right before the Duzce mainshock. The manuscript benefited from useful comments by Michael West and Associate Editor Heather DeShon. The study was supported by the National Science Foundation Grants EAR-0956051, EAR-1321550 (C. W., X. M., Z. P.), and EAR-1141944 (Y. B. Z.). NR 25 TC 9 Z9 10 U1 1 U2 5 PU SEISMOLOGICAL SOC AMER PI ALBANY PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA SN 0037-1106 EI 1943-3573 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD FEB PY 2014 VL 104 IS 1 BP 560 EP 566 DI 10.1785/0120130140 PG 7 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 302CT UT WOS:000330579800041 ER PT J AU Williams, DL Hodge, DB AF Williams, Daniel L. Hodge, David B. TI Impacts of delignification and hot water pretreatment on the water induced cell wall swelling behavior of grasses and its relation to cellulolytic enzyme hydrolysis and binding SO CELLULOSE LA English DT Article DE Water retention value; Enzymatic hydrolysis; Pretreatment; Cell wall swelling ID INDUCED FIBER HORNIFICATION; CORN STOVER; WHEAT-STRAW; PULP FIBERS; STRUCTURAL-CHARACTERIZATION; MICROCRYSTALLINE CELLULOSE; PEROXIDE PRETREATMENT; SATURATION POINT; SOLIDS LOADINGS; SURFACE-AREA AB The relationships between biomass composition, water retention value (WRV), settling volume and enzymatic glucose yield and enzyme binding is investigated in this work by employing grasses pretreated with combinations of alkaline hydrogen peroxide (AHP) delignification and liquid hot water pretreatment that result in significant alterations of cell wall properties and subsequent enzymatic hydrolysis yields. Specifically, these cell wall treatments are performed on corn stover and switchgrass to generate material with a range of lignin (6-35 %) and xylan (2-28 %) contents as well as a range of other properties such as carboxylic acid content, water binding affinity and swellability. It was determined that WRV and settling volume are predictors of glucose yield (R-2 = 0.900 and 0.895 respectively) over the range of materials and treatment conditions used. It was also observed that mild AHP delignification can result in threefold increases in the WRV. Dynamic vapor sorption isotherms demonstrated that AHP-delignified corn stover exhibited an increased affinity for water sorption from the vapor phase relative to untreated corn stover. These results indicate that these water properties may be useful proxies for biomass susceptibility to enzymatic deconstruction. C1 [Williams, Daniel L.; Hodge, David B.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. [Williams, Daniel L.; Hodge, David B.] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Hodge, David B.] Michigan State Univ, Dept Biosyst & Agr Engn, E Lansing, MI 48824 USA. [Hodge, David B.] Lulea Univ Technol, Dept Civil Environm & Nat Resources Engn, S-95187 Lulea, Sweden. RP Hodge, DB (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. EM hodgeda@egr.msu.edu FU DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC02-07ER64494]; NSF [0757020] FX This work was funded by the DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science DE-FC02-07ER64494). The authors are grateful to Robert and Brady Carter at Decagon Devices (Pullman, WA, USA) for performing DVS on samples. Natasse Christides and Genevieve Gagnier provided laboratory assistance and were supported by an NSF Due Grant (#0757020). NR 73 TC 16 Z9 16 U1 4 U2 42 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD FEB PY 2014 VL 21 IS 1 BP 221 EP 235 DI 10.1007/s10570-013-0149-3 PG 15 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA AA0SF UT WOS:000330807000016 ER PT J AU Hagos, S Leung, LR Gustafson, WI Singh, B AF Hagos, Samson Leung, L. Ruby Gustafson, William I., Jr. Singh, Balwinder TI Eddy fluxes and sensitivity of the water cycle to spatial resolution in idealized regional aquaplanet model simulations SO CLIMATE DYNAMICS LA English DT Article DE Multi-scale; Moisture budget analysis; The sensitivity of the water cycle; Spatial resolution; Aquaplanet; Eddies fluxes; Physics parameterization ID GLOBAL CLIMATE SIMULATIONS; CIRCULATION; CONVECTION; SYSTEM AB A multi-scale moisture budget analysis is used to identify the mechanisms responsible for the sensitivity of the water cycle to spatial resolution using idealized regional aquaplanet simulations. In the higher resolution simulations, moisture transport by eddy fluxes dry the boundary layer enhancing evaporation and precipitation. This effect of eddies, which is underestimated by the physics parameterizations in the low-resolution simulations, is found to be responsible for the sensitivity of the water cycle both directly, and through its upscale effects on the transport of mean moisture by the mean circulation. Correlations among moisture transport by eddies at adjacent ranges of scales provides a potential for reducing this sensitivity by representing the unresolved eddies by their marginally resolved counterparts. C1 [Hagos, Samson; Leung, L. Ruby; Gustafson, William I., Jr.; Singh, Balwinder] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hagos, S (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM samson.hagos@pnnl.gov RI Gustafson, William/A-7732-2008 OI Gustafson, William/0000-0001-9927-1393 FU Regional and Global Climate Modeling Program of the US Department of Energy Biological and Environmental Research Program; DOE Early Career Research; Pacific Northwest National Laboratory's Laboratory Directed Research and Development (LDRD) program; U.S. Department of Energy [DE-AC06-76RLO1830] FX This work is supported by the Regional and Global Climate Modeling Program of the US Department of Energy Biological and Environmental Research Program. Dr. Gustafson is supported by a DOE Early Career Research and Dr. Singh is supported by Pacific Northwest National Laboratory's Laboratory Directed Research and Development (LDRD) program. Computing resources are provided by the National Energy Research Scientific Computing Center (NERSC) and National Center for Computational Sciences (NCCS) through the INCITE Climate End Station project. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy under Contract DE-AC06-76RLO1830. NR 20 TC 4 Z9 4 U1 0 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 EI 1432-0894 J9 CLIM DYNAM JI Clim. Dyn. PD FEB PY 2014 VL 42 IS 3-4 BP 931 EP 940 DI 10.1007/s00382-013-1857-y PG 10 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 304FA UT WOS:000330731300022 ER PT J AU Swenson, S Lakin, C AF Swenson, Sue Lakin, Charlie TI A Wicked Problem: Can Governments be Fair to Families Living with Disabilities? SO FAMILY RELATIONS LA English DT Article DE Family; support; disability; policy; respite; segmentation ID DEVELOPMENTAL-DISABILITIES; CHILDREN; CARE AB Families provide priceless support to members with disabilities. Without the support of families the lives of most individuals with disabilities would be diminished in comfort, independence, opportunity, and caring relationships. Without the support provided to individuals with disabilities by family members, public expenditures for nonfamily assistance would be several times what is currently expended. In its responsibilities to the well-being of individualcitizens and to the efficient and effective use of public resources, governments struggle to accommodate the great diversity among familiesin what they want and what they need. Governments are challenged intargeting limited resources to reach those who need them most, in the amounts that are most cost-effective, and in a manner that is most beneficial to the family and its member(s) with disabilities. The attention on support to families is further complicated by changes in families and their individual members as they pass through lifecycles of changing relationships, expectations, aspirations, and capabilities. This article offers a modest commentary on how in the midst of such complexities our society can develop fair, effective, and cost-beneficial approaches to supporting families and their individual members. C1 [Swenson, Sue] US DOE, Special Educ & Rehabilitat Serv, Bethesda, MD 20814 USA. [Lakin, Charlie] US DOE, Natl Inst Disabil & Rehabil Res, Minneapolis, MN 55414 USA. RP Swenson, S (reprint author), US DOE, Special Educ & Rehabilitat Serv, 4604 Harling Lane, Bethesda, MD 20814 USA. EM Sue.Swenson@gmail.com NR 14 TC 1 Z9 1 U1 3 U2 9 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0197-6664 EI 1741-3729 J9 FAM RELAT JI Fam. Relat. PD FEB PY 2014 VL 63 IS 1 BP 185 EP 191 DI 10.1111/fare.12056 PG 7 WC Family Studies; Social Work SC Family Studies; Social Work GA 302YU UT WOS:000330642000014 ER PT J AU Looney, TJ Zhang, L Chen, CH Lee, JH Chari, S Mao, FF Pelizzola, M Zhang, L Lister, R Baker, SW Fernandes, CJ Gaetz, J Foshay, KM Clift, KL Zhang, ZY Li, WQ Vallender, EJ Wagner, U Qin, JY Michelini, KJ Bugarija, B Park, D Aryee, E Stricker, T Zhou, J White, KP Ren, B Schroth, GP Ecker, JR Xiang, AP Lahn, BT AF Looney, Timothy J. Zhang, Li Chen, Chih-Hsin Lee, Jae Hyun Chari, Sheila Mao, Frank Fuxiang Pelizzola, Mattia Zhang, Lu Lister, Ryan Baker, Samuel W. Fernandes, Croydon J. Gaetz, Jedidiah Foshay, Kara M. Clift, Kayla L. Zhang, Zhenyu Li, Wei-Qiang Vallender, Eric J. Wagner, Ulrich Qin, Jane Yuxia Michelini, Katelyn J. Bugarija, Branimir Park, Donghyun Aryee, Emmanuel Stricker, Thomas Zhou, Jie White, Kevin P. Ren, Bing Schroth, Gary P. Ecker, Joseph R. Xiang, Andy Peng Lahn, Bruce T. TI Systematic mapping of occluded genes by cell fusion reveals prevalence and stability of cis-mediated silencing in somatic cells SO GENOME RESEARCH LA English DT Article ID EMBRYONIC STEM-CELLS; TRANSCRIPTION FACTORS; FATE RESTRICTION; DNA METHYLATION; CHROMATIN; PLURIPOTENT; REPRESSION; PROMOTERS; FOXA; DIFFERENTIATION AB Both diffusible factors acting in trans and chromatin components acting in cis are implicated in gene regulation, but the extent to which either process causally determines a cell's transcriptional identity is unclear. We recently used cell fusion to define a class of silent genes termed "cis-silenced" (or "occluded") genes, which remain silent even in the presence of transacting transcriptional activators. We further showed that occlusion of lineage-inappropriate genes plays a critical role in maintaining the transcriptional identities of somatic cells. Here, we present, for the first time, a comprehensive map of occluded genes in somatic cells. Specifically, we mapped occluded genes in mouse fibroblasts via fusion to a dozen different rat cell types followed by whole-transcriptome profiling. We found that occluded genes are highly prevalent and stable in somatic cells, representing a sizeable fraction of silent genes. Occluded genes are also highly enriched for important developmental regulators of alternative lineages, consistent with the role of occlusion in safeguarding cell identities. Alongside this map, we also present whole-genome maps of DNA methylation and eight other chromatin marks. These maps uncover a complex relationship between chromatin state and occlusion. Furthermore, we found that DNA methylation functions as the memory of occlusion in a subset of occluded genes, while histone deacetylation contributes to the implementation but not memory of occlusion. Our data suggest that the identities of individual cell types are defined largely by the occlusion status of their genomes. The comprehensive reference maps reported here provide the foundation for future studies aimed at understanding the role of occlusion in development and disease. C1 [Looney, Timothy J.; Zhang, Li; Chen, Chih-Hsin; Lee, Jae Hyun; Chari, Sheila; Mao, Frank Fuxiang; Baker, Samuel W.; Fernandes, Croydon J.; Gaetz, Jedidiah; Foshay, Kara M.; Clift, Kayla L.; Zhang, Zhenyu; Qin, Jane Yuxia; Michelini, Katelyn J.; Bugarija, Branimir; Park, Donghyun; Aryee, Emmanuel; Lahn, Bruce T.] Univ Chicago, Howard Hughes Med Inst, Dept Human Genet, Chicago, IL 60637 USA. [Mao, Frank Fuxiang; Li, Wei-Qiang; Xiang, Andy Peng; Lahn, Bruce T.] Sun Yat Sen Univ, Ctr Stem Cell Biol & Tissue Engn, Guangzhou 510080, Guangdong, Peoples R China. [Pelizzola, Mattia; Lister, Ryan; Ecker, Joseph R.] Salk Inst Biol Studies, Genom Anal Lab, La Jolla, CA 92037 USA. [Zhang, Lu; Schroth, Gary P.] Illumina Inc, Hayward, CA 94545 USA. [Vallender, Eric J.] Harvard Univ, Sch Med, New England Primate Res Ctr, Southborough, MA 01772 USA. [Wagner, Ulrich; Ren, Bing] Univ Calif San Diego, Dept Cellular & Mol Med, La Jolla, CA 92093 USA. [Stricker, Thomas; Zhou, Jie; White, Kevin P.] Univ Chicago, Dept Human Genet, Inst Genom & Syst Biol, Chicago, IL 60637 USA. [Stricker, Thomas; Zhou, Jie; White, Kevin P.] Argonne Natl Lab, Chicago, IL 60637 USA. [Lahn, Bruce T.] Taicang Inst Life Sci Informat, Taicang 215400, Peoples R China. RP Chen, CH (reprint author), Univ Chicago, Howard Hughes Med Inst, Dept Human Genet, 5841 S Maryland Ave, Chicago, IL 60637 USA. EM chchenew@yahoo.com; blahn@bsd.uchicago.edu RI Vallender, Eric/A-2450-2008; Lister, Ryan/B-5168-2012; Ecker, Joseph/B-9144-2008; OI Vallender, Eric/0000-0003-3506-0540; Lister, Ryan/0000-0001-6637-7239; Ecker, Joseph/0000-0001-5799-5895; Pelizzola, Mattia/0000-0001-6672-9636 FU Chicago Biomedical Consortium with support from The Searle Funds at The Chicago Community Trust; Ellison Medical Research Foundation grant [AG-SFS-2528-10]; NIH [T32GM007197, F32HL922792]; National Natural Science Foundation of China [30971675, 30928015]; Key Scientific and Technological Projects of Guangdong Province [2007A032100003] FX We thank the following individuals for technical assistance and/or critical discussions: Liyuan (James) Cao, Jacob Degner, Ryan Duggan, Agnieszka Grzegorzewska, Samantha Kuan, David Leclerc, Ying Luu, Michael Olson, Joseph Pickrell, Patrick Reed, Gregory Snyder, Ann Sperling, and Zhen Ye. This work was funded in part by the Chicago Biomedical Consortium with support from The Searle Funds at The Chicago Community Trust (B.T.L.), the Ellison Medical Research Foundation grant AG-SFS-2528-10 (B.T.L.), NIH graduate training grant T32GM007197 (T.J.L.), NIH postdoctoral fellowships F32HD061205 (K.M.F.) and F32HL922792 (J.G.), the National Natural Science Foundation of China grant 30971675,30928015 (A.P.X.), and the Key Scientific and Technological Projects of Guangdong Province grant 2007A032100003 (A.P.X.). NR 50 TC 4 Z9 4 U1 0 U2 7 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 1088-9051 EI 1549-5469 J9 GENOME RES JI Genome Res. PD FEB PY 2014 VL 24 IS 2 BP 267 EP 280 DI 10.1101/gr.143891.112 PG 14 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 303TG UT WOS:000330696800009 PM 24310002 ER PT J AU Robinson, PN Kohler, S Oellrich, A Wang, K Mungall, CJ Lewis, SE Washington, N Bauer, S Seelow, D Krawitz, P Gilissen, C Haendel, M Smedley, D AF Robinson, Peter N. Koehler, Sebastian Oellrich, Anika Wang, Kai Mungall, Christopher J. Lewis, Suzanna E. Washington, Nicole Bauer, Sebastian Seelow, Dominik Krawitz, Peter Gilissen, Christian Haendel, Melissa Smedley, Damian CA Sanger Mouse Genetics Project TI Improved exome prioritization of disease genes through cross-species phenotype comparison SO GENOME RESEARCH LA English DT Article ID MENDELIAN DISORDERS; SEQUENCING DATA; HUMAN GENOMES; VARIANTS; MUTATIONS; DATABASE; ONTOLOGY; TOOL; ANNOTATION; DISCOVERY AB Numerous new disease-gene associations have been identified by whole-exome sequencing studies in the last few years. However, many cases remain unsolved due to the sheer number of candidate variants remaining after common filtering strategies such as removing low quality and common variants and those deemed unlikely to be pathogenic. The observation that each of our genomes contains about 100 genuine loss-of-function variants makes identification of the causative mutation problematic when using these strategies alone. We propose using the wealth of genotype to phenotype data that already exists from model organism studies to assess the potential impact of these exome variants. Here, we introduce PHenotypic Interpretation of Variants in Exomes (PHIVE), an algorithm that integrates the calculation of phenotype similarity between human diseases and genetically modified mouse models with evaluation of the variants according to allele frequency, pathogenicity, and mode of inheritance approaches in our Exomiser tool. Large-scale validation of PHIVE analysis using 100,000 exomes containing known mutations demonstrated a substantial improvement (up to 54.1-fold) over purely variant-based (frequency and pathogenicity) methods with the correct gene recalled as the top hit in up to 83% of samples, corresponding to an area under the ROC curve of > 95%. We conclude that incorporation of phenotype data can play a vital role in translational bioinformatics and propose that exome sequencing projects should systematically capture clinical phenotypes to take advantage of the strategy presented here. C1 [Robinson, Peter N.; Koehler, Sebastian; Bauer, Sebastian; Krawitz, Peter] Charite, Inst Med & Human Genet, D-13353 Berlin, Germany. [Robinson, Peter N.; Koehler, Sebastian; Krawitz, Peter] Charite, Berlin Brandenburg Ctr Regenerat Therapies, D-13353 Berlin, Germany. [Robinson, Peter N.; Bauer, Sebastian; Krawitz, Peter] Max Planck Inst Mol Genet, D-14195 Berlin, Germany. [Oellrich, Anika; Smedley, Damian; Sanger Mouse Genetics Project] Wellcome Trust Sanger Inst, Mouse Informat Grp, Hinxton CB10 1SA, Cambs, England. [Wang, Kai] Univ So Calif, Zilkha Neurogenet Inst, Los Angeles, CA 90089 USA. [Mungall, Christopher J.; Lewis, Suzanna E.; Washington, Nicole] Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Seelow, Dominik] Charite, Dept Neuropaediat, D-13353 Berlin, Germany. [Gilissen, Christian] Radboud Univ Nijmegen, Nijmegen Ctr Mol Life Sci, Dept Human Genet, NL-6500 HB Nijmegen, Netherlands. [Gilissen, Christian] Radboud Univ Nijmegen, Inst Genet & Metab Disorders, Med Ctr, NL-6500 HB Nijmegen, Netherlands. [Haendel, Melissa] Oregon Hlth & Sci Univ, Univ Lib, Portland, OR 97239 USA. [Haendel, Melissa] Oregon Hlth & Sci Univ, Dept Med Informat & Epidemiol, Portland, OR 97239 USA. RP Robinson, PN (reprint author), Charite, Inst Med & Human Genet, Augustenburger Pl 1, D-13353 Berlin, Germany. EM peter.robinson@charite.de; ds5@sanger.ac.uk RI Kohler, Sebastian/A-2029-2012; Gilissen, Christian/E-5246-2012; OI Kohler, Sebastian/0000-0002-5316-1399; Gilissen, Christian/0000-0003-1693-9699; Washington, Nicole/0000-0001-8936-9143; Lewis, Suzanna/0000-0002-8343-612X FU Deutsche Forschungsgemeinschaft [DFG RO 2005/4-1]; Bundesministerium fur Bildung und Forschung (BMBF) [0313911]; Wellcome Trust; NIH [1R24OD011883-01]; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported by grants from the Deutsche Forschungsgemeinschaft (DFG RO 2005/4-1), the Bundesministerium fur Bildung und Forschung (BMBF project number 0313911), core infrastructure funding from the Wellcome Trust, NIH 1R24OD011883-01, and by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under contract no. DE-AC02-05CH11231. NR 51 TC 72 Z9 73 U1 1 U2 17 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 1088-9051 EI 1549-5469 J9 GENOME RES JI Genome Res. PD FEB PY 2014 VL 24 IS 2 BP 340 EP 348 DI 10.1101/gr.160325.113 PG 9 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 303TG UT WOS:000330696800016 PM 24162188 ER PT J AU Forthomme, D McRaven, CP Sears, TJ Hall, GE AF Forthomme, Damien McRaven, Christopher P. Sears, Trevor J. Hall, Gregory E. TI Collinear two-color saturation spectroscopy in CN A-X (1-0) and (2-0) bands SO JOURNAL OF MOLECULAR SPECTROSCOPY LA English DT Article DE Hyperfine structure; CN radical; Sub-Doppler saturation spectroscopy; Frequency modulation spectroscopy ID DOPPLER-BROADENED TRANSITIONS; HYPERFINE-STRUCTURE; SPECTRUM; STATES; RESONANCES AB Hyperfine-resolved saturation spectra were measured for a selection of low and medium J rotational lines in the A (2)Pi-X-2 Sigma(+) system of CN using two copropagating laser beams tuned to transitions in the (2-0) and (1-0) bands. A bleach laser was amplitude modulated and fixed in frequency near the center of a rotational line of the (2-0) vibrational band, while a probe laser was frequency-modulated and scanned across selected lines of the (1-0) vibrational band, sharing a common lower state with the bleach laser. Locking the probe laser with a tunable radio frequency offset to a cavity that tracks the slowly drifting bleach laser greatly improved the quality of the double-resonance saturation signals, by stabilizing the relative frequency of the two beams. The sub-Doppler resonances were fit with Lorentzian line shapes having a typical full-width at half maximum of 2-3 MHz. The hyperfine spectra observed depend on the hyperfine structure within both rovibronic transitions excited, permitting the determination of hyperfine molecular constants in the v = 2 state and the refinement of previously published values in the v = 1 state. Four nuclear magnetic dipole and two electric quadrupole hyperfine constants were determined for each of the upper states from a fit with a weighted root mean squared error of 0.5 MHz. The vibrational dependence of these constants is weak or negligible. (C) 2013 Elsevier Inc. All rights reserved. C1 [Forthomme, Damien; McRaven, Christopher P.; Sears, Trevor J.; Hall, Gregory E.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Sears, Trevor J.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. RP Hall, GE (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM gehall@bnl.gov RI Sears, Trevor/B-5990-2013; Hall, Gregory/D-4883-2013 OI Sears, Trevor/0000-0002-5559-0154; Hall, Gregory/0000-0002-8534-9783 FU Brookhaven National. Laboratory [DE-AC02-98CH10886]; U.S. Department of Energy; Division of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences FX This work was performed at Brookhaven National. Laboratory under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy and supported by its Division of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences. NR 31 TC 0 Z9 0 U1 0 U2 5 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-2852 EI 1096-083X J9 J MOL SPECTROSC JI J. Mol. Spectrosc. PD FEB PY 2014 VL 296 BP 36 EP 42 DI 10.1016/j.jms.2013.12.006 PG 7 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 304MN UT WOS:000330751100007 ER PT J AU Sohn, Y Keiser, DD AF Sohn, Yongho Keiser, Dennis D., Jr. TI How Fundamentals of Phase Equilibria and Diffusion Contribute to the RERTR program SO JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION LA English DT Editorial Material C1 [Sohn, Yongho] Univ Cent Florida, Dept Mat Sci & Engn, Orlando, FL 32816 USA. [Sohn, Yongho] Univ Cent Florida, Mat Characterizat Facil, Orlando, FL 32816 USA. [Keiser, Dennis D., Jr.] Idaho Natl Lab, Nucl Fuels & Mat Div, Idaho Falls, ID 83401 USA. RP Sohn, Y (reprint author), Univ Cent Florida, Dept Mat Sci & Engn, Orlando, FL 32816 USA. EM Yongho.Sohn@ucf.edu RI Sohn, Yongho/A-8517-2010 OI Sohn, Yongho/0000-0003-3723-4743 NR 0 TC 0 Z9 0 U1 1 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1547-7037 EI 1863-7345 J9 J PHASE EQUILIB DIFF JI J. Phase Equilib. Diffus. PD FEB PY 2014 VL 35 IS 1 BP 1 EP 1 DI 10.1007/s11669-013-0272-8 PG 1 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 304JW UT WOS:000330743900001 ER PT J AU North, MJ Macal, CM AF North, M. J. Macal, C. M. TI Product and process patterns for agent-based modelling and simulation SO JOURNAL OF SIMULATION LA English DT Article DE agent-based modelling and simulation; patterns; complex adaptive systems AB Patterns have offered a powerful yet simple way to conceptualize and communicate ideas in. many disciplines since Christopher Alexander introduced them in the late 1970s. Patterns in general, and design patterns in particular, became widely used for software development by the 1990s. They have subsequently been shown to be of substantial value in improving software quality and development efficiency. Several authors have suggested that there is great potential for patterns to improve the practice of agent-based modelling and simulation as well. We consider product and process patterns in this paper. Product patterns are a vocabulary for designing or implementing models. Process patterns are methods for designing, implementing, or using models. This paper's contribution is to identify a set of product and process patterns for agent-based modelling and simulation. The applicability of each proposed pattern is substantiated with published examples of their use within models or modeling libraries. C1 [North, M. J.; Macal, C. M.] Argonne Natl Lab, Argonne, IL 60439 USA. RP North, MJ (reprint author), Argonne Natl Lab, Decis & Informat Sci Div, 9700 S Cass Ave,Bldg 221, Argonne, IL 60439 USA. EM north@anl.gov FU US Department of Energy [DE-ACO2-06CH11357] FX This work was supported by the US Department of Energy under contract number DE-ACO2-06CH11357. NR 46 TC 5 Z9 5 U1 0 U2 11 PU PALGRAVE MACMILLAN LTD PI BASINGSTOKE PA BRUNEL RD BLDG, HOUNDMILLS, BASINGSTOKE RG21 6XS, HANTS, ENGLAND SN 1747-7778 EI 1747-7786 J9 J SIMUL JI J. Simul. PD FEB PY 2014 VL 8 IS 1 BP 25 EP 36 DI 10.1057/jos.2013.4 PG 12 WC Computer Science, Interdisciplinary Applications; Operations Research & Management Science SC Computer Science; Operations Research & Management Science GA 303OI UT WOS:000330683400003 ER PT J AU Khafizov, M Park, IW Chernatynskiy, A He, LF Lin, JL Moore, JJ Swank, D Lillo, T Phillpot, SR El-Azab, A Hurley, DH AF Khafizov, Marat Park, In-Wook Chernatynskiy, Aleksandr He, Lingfeng Lin, Jianliang Moore, John J. Swank, David Lillo, Thomas Phillpot, Simon R. El-Azab, Anter Hurley, David H. TI Thermal Conductivity in Nanocrystalline Ceria Thin Films SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID YTTRIA-STABILIZED ZIRCONIA; SPUTTERING P-CFUBMS; MOLECULAR-DYNAMICS; PHONON-SCATTERING; HIGH-TEMPERATURE; URANIUM-DIOXIDE; SOLID-SOLUTIONS; THERMOPHYSICAL PROPERTIES; THERMOELECTRIC-POWER; DOPED CERIA AB The thermal conductivity of nanocrystalline ceria films grown by unbalanced magnetron sputtering is determined as a function of temperature using laser-based modulated thermoreflectance. The films exhibit significantly reduced conductivity compared with stoichiometric bulk CeO2. A variety of microstructure imaging techniques including X-ray diffraction, scanning and transmission electron microscopy, X-ray photoelectron analysis, and electron energy loss spectroscopy indicate that the thermal conductivity is influenced by grain boundaries, dislocations, and oxygen vacancies. The temperature dependence of the thermal conductivity is analyzed using an analytical solution of the Boltzmann transport equation. The conclusion of this study is that oxygen vacancies pose a smaller impediment to thermal transport when they segregate along grain boundaries. C1 [Khafizov, Marat; Swank, David; Lillo, Thomas; Hurley, David H.] Idaho Natl Lab, Dept Mat Sci & Engn, Idaho Falls, ID 83415 USA. [Park, In-Wook; Lin, Jianliang; Moore, John J.] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. [Chernatynskiy, Aleksandr; Phillpot, Simon R.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. [He, Lingfeng] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [El-Azab, Anter] Purdue Univ, Dept Nucl Engn, W Lafayette, IN 47907 USA. RP Khafizov, M (reprint author), Idaho Natl Lab, Dept Mat Sci & Engn, Idaho Falls, ID 83415 USA. EM marat.khafizov@inl.gov RI He, Lingfeng/D-3534-2014; Khafizov, Marat/B-3744-2012; Lilllo, Thomas/S-5031-2016; OI He, Lingfeng/0000-0003-2763-1462; Khafizov, Marat/0000-0001-8171-3528; Lilllo, Thomas/0000-0002-7572-7883; Phillpot, Simon/0000-0002-7774-6535; Chernatynskiy, Aleksandr/0000-0001-7431-7201 FU Center for Materials Science of Nuclear Fuel, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [FWP 1356] FX This material is based upon work supported as part of the Center for Materials Science of Nuclear Fuel, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under award no. FWP 1356. Authors would like to acknowledge Hunter Henderson, Peng Xu, Clarissa Yablinsky, Mahima Gupta, and Tommy Trowbridge for the assistance with the sample preparation and characterization. NR 58 TC 13 Z9 13 U1 5 U2 51 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD FEB PY 2014 VL 97 IS 2 BP 562 EP 569 DI 10.1111/jace.12673 PG 8 WC Materials Science, Ceramics SC Materials Science GA 303OP UT WOS:000330684200035 ER PT J AU Lane, NJ Vogel, SC Caspi, EN Dubois, S Gauthier-Brunet, V Bei, GP Barsoum, MW AF Lane, Nina J. Vogel, Sven C. Caspi, El'ad N. Dubois, Sylvain Gauthier-Brunet, Veronique Bei, Guo Ping Barsoum, Michel W. TI A High-Temperature Neutron Diffraction and First-Principles Study of Ti3AlC2 and Ti-3(Al0.8Sn0.2)C-2 SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID INITIO MOLECULAR-DYNAMICS; SINGLE-PHASE TI3ALC2; MECHANICAL-PROPERTIES; OXIDATION BEHAVIOR; POWDER MIXTURE; MAX PHASES; SOLID-SOLUTIONS; TENSILE CREEP; TI3SIC2; AL AB Herein, we report on the temperature-dependent crystal structures of Ti3AlC2 and Ti3Al0.8Sn0.2C2 in the 373-1273 K temperature range, as determined by Rietveld analysis of high-temperature neutron diffraction time-of-flight data. The compositions are 86(1) wt% Ti3AlC2 and 14(1) wt% TiC0.92(2) for the sample with no Sn, and 95(1) wt% Ti-3(Al0.8Sn0.2)C-2 and 5 (1) wt% Ti2AlC for the solid solution with Sn. The average linear volumetric thermal expansion is 8.0(2) x 10(-6) K-1 for Ti3AlC2 and 8.2(5) x 10(-6) K-1 for Ti-3(Al0.8Sn0.2)C-2. The average linear thermal expansion in the a and c directions, respectively, are 7.6(2) x 10(-6) K-1 and 8.9(2) x 10(-6) K-1 for Ti3AlC2. For Ti-3(Al0.8Sn0.2)C-2, the respective values are 8.0(5) x 10(-6) K-1 and 8.6(6) x 10(-6) K-1. In the case of the solid solution, the quadratic thermal expansion coefficients are also given. Detailed bond lengths analysis shows that the thermal expansions along the a and c directions are controlled by the thermal expansions of the Ti-C, and Ti-Al bond lengths, respectively. The atomic displacement parameters (ADPs) show that the Al and Sn atoms vibrate with a higher amplitude than the Ti and C atoms. Consistent with first-principles calculations, the ADPs of the Al/Sn site(s) in Ti-3(Al0.8Sn0.2)C-2 are lower than the ADPs of Al in Ti3AlC2. 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. [Dubois, Sylvain; Gauthier-Brunet, Veronique; Bei, Guo Ping] Univ Poitiers, Dept Phys & Mechqn Mat, PPRIME Inst, UPR 3346,CNRS,ENSMA, F-86962 Futuroscope, France. RP Caspi, EN (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. EM caspie@nrcn.org.il RI Sylvain, DUBOIS/A-4724-2013; OI Sylvain, DUBOIS/0000-0003-1881-7185; Bei, Guo-Ping/0000-0002-9315-6834 FU Army Research Office (ARO) [W911NF-11-1-0525]; U.S. Department of Energy's Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396]; NSF [OCI-1053575]; U.S. DOE-BES [DE-AC02-06CH11357] FX This work was funded by Army Research Office (ARO, W911NF-11-1-0525). The neutron diffraction experiments were conducted at 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 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). NR 63 TC 3 Z9 3 U1 8 U2 50 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD FEB PY 2014 VL 97 IS 2 BP 570 EP 576 DI 10.1111/jace.12696 PG 7 WC Materials Science, Ceramics SC Materials Science GA 303OP UT WOS:000330684200036 ER PT J AU Swab, JJ Pavlacka, R Gilde, G Kilczewski, S Wright, J Harris, D AF Swab, Jeffrey J. Pavlacka, Robert Gilde, Gary Kilczewski, Steve Wright, Jared Harris, Donovan TI Determining the Strength of Coarse-Grained AlON and Spinel SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID MAGNESIUM ALUMINATE SPINEL; ROOM-TEMPERATURE; MGAL2O4; OXYNITRIDE; CERAMICS AB The strength of two coarse-grained (grain size>200m) cubic ceramics, a magnesium aluminate spinel (MgAl2O4) and an AlON , along with a fine-grained (1.5m) MgAl2O4, was determined by conducting a series of four-point and equibiaxial flexure tests on specimens of different sizes. Weibull strength size scaling revealed a linear relationship on a log-log plot between average flexure strength and effective specimen area for the fine-grained spinel, but a nonlinear relationship for both coarse-grained materials. Initial fractography showed that each material had a single flaw population limiting the strength over the entire specimen size range, which does not account for the nonlinear size scaling relationship in the two coarse-grained materials. However, further fractography revealed that in both materials there was an initial flaw and a critical flaw. The former appears to be machining/polishing damage that started the fracture process while the latter was a cleaved grain in AlON or a cracked grain boundary in the HP/HIP spinel that lead to fracture of the specimen. The difference between the initial and critical flaw size coupled with a detailed analysis of the strength as a function of test specimen thickness accounted for the nonlinear strength size scaling relationship. As a result, strength values obtained using thin test specimens can lead to an erroneous strength prediction for large components made of these ceramics. The implication of these findings is that strength tests must be conducted using appropriately thick specimens to obtain a representative strength value. If appropriately thick specimens cannot be tested, then fractography must be conducted to determine the flaw size. If the flaw size is sufficiently large, compared with the specimen thickness, then the strength must be adjusted according to a stress field correction factor to obtain a more accurate strength value. C1 [Swab, Jeffrey J.; Pavlacka, Robert; Gilde, Gary; Kilczewski, Steve; Wright, Jared; Harris, Donovan] US Army Res Lab, Mat & Mfg Sci Div, Ceram & Transparent Mat Branch, Aberdeen, MD 21005 USA. [Pavlacka, Robert] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Kilczewski, Steve] Data Matrix Solut, Herndon, VA USA. [Wright, Jared] Bowhead Sci & Technol LLC, Belcamp, MD USA. RP Swab, JJ (reprint author), US Army Res Lab, Mat & Mfg Sci Div, Ceram & Transparent Mat Branch, Aberdeen, MD 21005 USA. EM jeffrey.j.swab.civ@mail.mil NR 32 TC 2 Z9 2 U1 2 U2 23 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD FEB PY 2014 VL 97 IS 2 BP 592 EP 600 DI 10.1111/jace.12698 PG 9 WC Materials Science, Ceramics SC Materials Science GA 303OP UT WOS:000330684200039 ER PT J AU Chiou, JW Huang, WH Sun, SJ Yu, CF Chou, H Yang, HD Yu, YC Chan, TS Lin, HJ Kumar, K Yang, WL Guo, JH AF Chiou, Jau-Wern Huang, Wei-Hao Sun, Shih-Jye Yu, Chang-Feng Chou, Hsiung Yang, Hung-Duen Yu, Yueh-Chung Chan, Ting-Shan Lin, Hong-Ji Kumar, Krishna Yang, Wanli Guo, Jinghua TI The Effects of Magnetic Field Size on the Electronic Structure of Al-Doped ZnO Thin Films Studied by X-ray Absorption and Emission Spectroscopy SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID SCANNING PHOTOELECTRON MICROSCOPY; PULSED-LASER DEPOSITION; ELECTRICAL-PROPERTIES; TRANSPARENT AB This study examines Al-doped ZnO (AZO) transparent conductive thin films prepared on glass substrate using the pulsed laser deposition method with an expanding magnetic field perpendicular to the sample surface. OK-, ZnL3-, and AlK-edge X-ray absorption near-edge structure (XANES) and X-ray emission spectroscopy (XES) were used to investigate the relationship between the effects of magnetic field size and the electronic structure of AZO thin films. Analysis of the XANES spectra showed increasing O 2p states as film resistance decreases, suggesting that the enrichment of the O 2p-dangling bond along the c-axis is the main factor affecting the electric performance of AZO thin films. Magnetic field size affects electrons itinerating from Zn atoms to Al sites through O 2p-Zn 3d and O 2p-Al 3sp hybridization and consequently weakens O 2p-Zn 3d hybridization with the downsizing of the crystallite size. XES and XANES spectra of O 2p states at the O K-edge exhibit that the conduction-band minimum affects E-g and the valence-band maximum is nearly unaffected by changes in magnetic field size. Factors affecting the resistance/electric conductivity of AZO thin films are the preferential orientation of (002) along the c-axis, the thermal/annealing effect accompanied by the changes of magnetic field size, the surface effect, energy bandgap, and the density of unoccupied O 2p-derived states. C1 [Chiou, Jau-Wern; Huang, Wei-Hao; Sun, Shih-Jye] Natl Univ Kaohsiung, Dept Appl Phys, Kaohsiung 811, Taiwan. [Yu, Chang-Feng] Natl Chiayi Univ, Dept Electrophys, Chiayi 600, Taiwan. [Chou, Hsiung; Yang, Hung-Duen] Natl Sun Yat Sen Univ, Dept Phys, Kaohsiung 804, Taiwan. [Yu, Yueh-Chung] Acad Sinica, Inst Phys, Taipei 115, Taiwan. [Chan, Ting-Shan; Lin, Hong-Ji] Natl Synchrotron Radiat Res Ctr, Hsinchu 300, Taiwan. [Kumar, Krishna] Inst Technol Tallaght, Dept Sci, Dublin 24, Ireland. [Yang, Wanli; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Chiou, JW (reprint author), Natl Univ Kaohsiung, Dept Appl Phys, Kaohsiung 811, Taiwan. EM jwchiou@nuk.edu.tw RI Yang, Wanli/D-7183-2011 OI Yang, Wanli/0000-0003-0666-8063 FU Ministry of Economic Affairs, R.O.C. [97-EC-17-A-07-S1-102]; National Science Council of Taiwan NSC [99-2112-M-390-004-MY3]; U.S. Department of Energy [ED-AC02-05CH11231] FX This project is supported by the grants of the Ministry of Economic Affairs, R.O.C. 97-EC-17-A-07-S1-102, and the National Science Council of Taiwan NSC 99-2112-M-390-004-MY3. And the work at ALS is supported by the U.S. Department of Energy under the contract no. ED-AC02-05CH11231. NR 22 TC 1 Z9 1 U1 1 U2 30 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD FEB PY 2014 VL 97 IS 2 BP 657 EP 661 DI 10.1111/jace.12689 PG 5 WC Materials Science, Ceramics SC Materials Science GA 303OP UT WOS:000330684200048 ER PT J AU Pan, YC Sullivan, M Maguire, K Hook, IM Nugent, PE Howell, DA Arcavi, I Botyanszki, J Cenko, SB DeRose, J Fakhouri, HK Gal-Yam, A Hsiao, E Kulkarni, SR Laher, RR Lidman, C Nordin, J Walker, ES Xu, D AF Pan, Y. -C. Sullivan, M. Maguire, K. Hook, I. M. Nugent, P. E. Howell, D. A. Arcavi, I. Botyanszki, J. Cenko, S. B. DeRose, J. Fakhouri, H. K. Gal-Yam, A. Hsiao, E. Kulkarni, S. R. Laher, R. R. Lidman, C. Nordin, J. Walker, E. S. Xu, D. TI The host galaxies of Type Ia supernovae discovered by the Palomar Transient Factory SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE supernovae: general; cosmology: observations; distance scale ID DIGITAL SKY SURVEY; HUBBLE-SPACE-TELESCOPE; STAR-FORMING GALAXIES; MASS-METALLICITY RELATION; ABSORPTION-LINE SPECTRA; ACTIVE GALACTIC NUCLEI; LEGACY SURVEY; DARK-ENERGY; CIRCUMSTELLAR MATERIAL; LIGHT CURVES AB We present spectroscopic observations of the host galaxies of 82 low-redshift Type Ia supernovae (SNe Ia) discovered by the Palomar Transient Factory. We determine star formation rates, gas-phase/stellarmetallicities, and stellar masses and ages of these objects. As expected, strong correlations between the SN Ia light-curve width (stretch) and the host age/mass/metallicity are found: fainter, faster declining events tend to be hosted by older/massive/metal-rich galaxies. There is some evidence that redder SNe Ia explode in higher metallicity galaxies, but we found no relation between the SN colour and host galaxy extinction based on the Balmer decrement, suggesting that the colour variation of these SNe does not primarily arise from this source. SNe Ia in higher mass/metallicity galaxies also appear brighter after stretch/colour corrections than their counterparts in lower mass hosts, and the stronger correlation is with gas-phase metallicity suggesting this may be the more important variable. We also compared the host stellar mass distribution to that in galaxy-targeted SN surveys and the high-redshift untargeted Supernova Legacy Survey (SNLS). SNLS has many more low-mass galaxies, while the targeted searches have fewer. This can be explained by an evolution in the galaxy stellar mass function, coupled with an SN delay-time distribution proportional to t(-1). Finally, we found no significant difference in the mass-metallicity relation of our SN Ia hosts compared to field galaxies, suggesting any metallicity effect on the SN Ia rate is small. C1 [Pan, Y. -C.; Maguire, K.; Hook, I. M.] Univ Oxford, Dept Phys Astrophys, DWB, Oxford OX1 3RH, England. [Sullivan, M.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. [Hook, I. M.] INAF Osservatorio Astron Roma, I-00040 Rome, Italy. [Nugent, P. E.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Nugent, P. E.; Botyanszki, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Howell, D. A.] Las Cumbres Observ Global Telescope Network, Goleta, CA 93117 USA. [Howell, D. A.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Arcavi, I.; Gal-Yam, A.] Weizmann Inst Sci, Dept Particle Phys & Astrophys, IL-76100 Rehovot, Israel. [Botyanszki, J.; DeRose, J.; Fakhouri, H. K.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Cenko, S. B.] NASA, Goddard Space Flight Ctr, Astrophys Sci Div, Greenbelt, MD 20771 USA. [Cenko, S. B.] Univ Maryland, Joint Space Sci Inst, College Pk, MD 20742 USA. [Fakhouri, H. K.; Nordin, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Hsiao, E.] Las Campanas Observ, Carnegie Observ, La Serena, Chile. [Kulkarni, S. R.] CALTECH, Div Phys Math & Astron, Pasadena, CA USA. [Laher, R. R.] CALTECH, Spitzer Sci Ctr, Pasadena, CA 91125 USA. [Lidman, C.] Australian Astron Observ, N Ryde, NSW 1670, Australia. [Nordin, J.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Walker, E. S.] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Xu, D.] Univ Copenhagen, Dark Cosmol Ctr, Niels Bohr Inst, DK-2100 Copenhagen O, Denmark. RP Pan, YC (reprint author), Univ Oxford, Dept Phys Astrophys, DWB, Keble Rd, Oxford OX1 3RH, England. EM Yen-Chen.Pan@astro.ox.ac.uk OI Sullivan, Mark/0000-0001-9053-4820; Hook, Isobel/0000-0002-2960-978X FU Royal Society; EU; ERC; ISF; BSF; Minerva ARCHES award; Kimmel award; W.M. Keck Foundation FX MS acknowledges support from the Royal Society. AG acknowledges support from the EU/FP7 via and ERC grant, funding from the ISF and BSF, and the Minerva ARCHES and Kimmel awards.; Based on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), Ministerio da Ciencia, Tecnologia e Inovacao (Brazil) and Ministerio de Ciencia, Tecnologia e Innovacion Productiva (Argentina). Based on Gemini progammes GN-2010B-Q-111, GS-2010B-Q-82, GN-2011A-Q-82, GN-2011B-Q-108, GN-2012A-Q-91, GS-2012A-Q3, GN-2012B-Q-122 and GS-2012B-Q-83 for the host galaxy observations, and GN-2010A-Q-20, GN-2010B-Q-13, GN-2011A-Q-16 and GS-2009B-Q-11 for the SN observations. The William Herschel Telescope is operated on the island of La Palma by the Isaac Newton Group in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias. Observations obtained with the Samuel Oschin Telescope at the Palomar Observatory as part of the PTF project, a scientific collaboration between the California Institute of Technology, Columbia University, Las Cumbres Observatory, the Lawrence Berkeley National Laboratory, the National Energy Research Scientific Computing Center, the University of Oxford and the Weizmann Institute of Science. Some of the data presented herein were obtained at the W.M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W.M. Keck Foundation. Based on observations collected at the European Organization for Astronomical Research in the Southern hemisphere, Chile, under programme IDs 084.A-0149 and 085.A-0777. Observations obtained with the SuperNova Integral Field Spectrograph on the University of Hawaii 2.2m telescope as part of the Nearby Supernova Factory II project, a scientific collaboration between the Centre de Recherche Astronomique de Lyon, Institut de Physique Nucl'eaire de Lyon, Laboratoire de Physique Nucl'eaire et des Hautes Energies, Lawrence Berkeley National Laboratory, Yale University, University of Bonn, Max Planck Institute for Astrophysics, Tsinghua Center for Astrophysics and Centre de Physique des Particules de Marseille. 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 116 TC 32 Z9 32 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD FEB PY 2014 VL 438 IS 2 BP 1391 EP 1416 DI 10.1093/mnras/stt2287 PG 26 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AA2WW UT WOS:000330955900037 ER PT J AU Deur, A AF Deur, A. TI A relation between the dark mass of elliptical galaxies and their shape SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: elliptical and lenticular; cD-dark matter ID TO-LIGHT RATIO; LENS ACS SURVEY; FUNDAMENTAL PLANE; ATLAS(3D) PROJECT; DYNAMICAL MODELS; SLACS LENSES; XMM-NEWTON; 2-DIMENSIONAL KINEMATICS; POPULATION SYNTHESIS; STELLAR POPULATIONS AB We have studied a large number of elliptical galaxies and found a correlation between their dark matter content and the ellipticity of their visible shape. The galaxies were strictly selected so that only typical medium-size elliptical galaxies were considered. Galaxies with unusual characteristics were rejected to minimize point-to-point data scatter and avoid systematic biases. Data from six different techniques of extracting the galactic dark matter content were used to avoid methodological biases. A thorough investigation of the interrelation between attributes of elliptical galaxies was carried out to assess whether the correlation originates from an observational bias, but no such origin could be identified. At face value, the correlation found implies that at equal luminosities, rounder medium-size elliptical galaxies appear to contain less dark matter than flatter elliptical galaxies, e.g. the rounder galaxies are on average four times less massive than the flatter ones. This is puzzling in the context of the conventional model of cosmological structure formation. C1 [Deur, A.] Univ Virginia, Charlottesville, VA 22903 USA. RP Deur, A (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM deurpam@jlab.org NR 96 TC 0 Z9 0 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD FEB PY 2014 VL 438 IS 2 BP 1535 EP 1551 DI 10.1093/mnras/stt2293 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AA2WW UT WOS:000330955900047 ER PT J AU Gray, TK Canik, JM Maingi, R McLean, AG Ahn, JW Jaworkski, MA Kaita, R Ono, M Paul, SF AF Gray, T. K. Canik, J. M. Maingi, R. McLean, A. G. Ahn, J-W. Jaworkski, M. A. Kaita, R. Ono, M. Paul, S. F. CA NSTX Team TI The effects of increasing lithium deposition on the power exhaust channel in NSTX SO NUCLEAR FUSION LA English DT Article DE divertor; heat flux; lithium ID SPHERICAL TORUS EXPERIMENT; H-MODE DISCHARGES; HEAT-FLUX AB Previous measurements on the National Spherical Torus Experiment (NSTX) demonstrated peak, perpendicular heat fluxes, q(dep,pk) <= 15MWm(-2) with an inter-edge localized mode integral heat flux width, lambda(mid)(q,int) similar to 3-7mm during high performance, high power operation (plasma current, I-p = 1.2MA and injected neutral beam power, P-NBI = 6MW) when magnetically mapped to the outer midplane. Analysis indicates that lambda(mid)(q,int) scales approximately as I-p(-1). The extrapolation of the divertor heat flux and lambda(q) for NSTX-U are predicted to be upwards of 24MWm(-2) and 3 mm, respectively assuming a high magnetic flux expansion, f(exp) similar to 30, P-NBI = 10MW, balanced double null operation and boronized wall conditioning. While the divertor heat flux has been shown to be mitigated through increased magnetic flux expansion, impurity gas puffing, and innovative divertor configurations on NSTX, the application of evaporative lithium coatings in NSTX has shown reduced peak heat flux from 5 to 2MWm(-2) during similar operation with 150 and 300 mg of pre-discharge lithium evaporation respectively. Measurement of divertor surface temperatures in lithiated NSTX discharges is achieved with a unique dual-band IR thermography system to mitigate the variable surface emissivity introduced by evaporative lithium coatings. This results in a relative increase in divertor radiation as measured by divertor bolometry. While the measured divertor heat flux is reduced with strong lithium evaporation, lambda(q) contracts to 3-6mm at low I-p but remains nearly constant as I-p is increased to 1.2MAyielding lambda(q) 's comparable to no lithium discharges at high I-p. C1 [Gray, T. K.; Canik, J. M.; Maingi, R.; Ahn, J-W.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Maingi, R.; Jaworkski, M. A.; Kaita, R.; Ono, M.; Paul, S. F.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [McLean, A. G.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Gray, TK (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM tkgray@pppl.gov OI Canik, John/0000-0001-6934-6681 FU US Department of Energy [DE-AC05-00OR22725, DE-AC52-07NA27344, DE-AC02-09CH11466] FX Work supported by US Department of Energy contracts: DE-AC05-00OR22725, DE-AC52-07NA27344 and DE-AC02-09CH11466. The authors would also like to acknowledge a collaboration with A Herrmann of IPP-Garching for the use of the THEODOR code. The authors would also like to acknowledge useful discussions with T Eich regarding the diffusive-Gaussian heat flux analysis. NR 26 TC 7 Z9 7 U1 3 U2 15 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD FEB PY 2014 VL 54 IS 2 AR 023001 DI 10.1088/0029-5515/54/2/023001 PG 7 WC Physics, Fluids & Plasmas SC Physics GA 304DF UT WOS:000330726300006 ER PT J AU Maggi, CF Delabie, E Biewer, TM Groth, M Hawkes, NC Lehnen, M de la Luna, E McCormick, K Reux, C Rimini, F Solano, ER Andrew, Y Bourdelle, C Bobkov, V Brix, M Calabro, G Czarnecka, A Flanagan, J Lerche, E Marsen, S Nunes, I Van Eester, D Stamp, MF AF Maggi, C. F. Delabie, E. Biewer, T. M. Groth, M. Hawkes, N. C. Lehnen, M. de la Luna, E. McCormick, K. Reux, C. Rimini, F. Solano, E. R. Andrew, Y. Bourdelle, C. Bobkov, V. Brix, M. Calabro, G. Czarnecka, A. Flanagan, J. Lerche, E. Marsen, S. Nunes, I. Van Eester, D. Stamp, M. F. CA JET EFDA Contributors TI L-H power threshold studies in JET with Be/W and C wall SO NUCLEAR FUSION LA English DT Article DE tokamaks; L-H transition; impurities in plasma; radial electric field ID EUROPEAN TORUS JET; ITER-LIKE WALL; ELECTRIC-FIELD; COMPASS-D; MODE; PLASMA; TRANSITION; EVOLUTION; TOKAMAK; REGIME AB A comparison of the L-H power threshold (P-thr) in JET with all carbon, JET-C, and beryllium/tungsten wall (the ITER-like choice), JET-ILW, has been carried out in experiments with slow input power ramps and matched plasma shapes, divertor configuration and I-P/B-T pairs. The low density dependence of the L-H power threshold, namely an increase below a minimum density n(e,min), which was first observed in JET with the MkII-GB divertor and C wall and subsequently not observed with the current MkII-HD geometry, is observed again with JET-ILW. At plasma densities above n(e,min), P-thr is reduced by similar to 30%, and by similar to 40% when the radiation from the bulk plasma is subtracted (P-sep), with JET-ILW compared to JET-C. At the L-H transition the electron temperature at the edge, where the pedestal later develops, is also lower with JET-ILW, for a given edge density. With JET-ILW the minimum density is found to increase roughly linearly with magnetic field, n(e,min) similar to B-T(4/5), while the power threshold at the minimum density scales as P-sep,P-min similar to B-T(5/2). The H-mode power threshold in JET-ILWis found to be sensitive both to variations in main plasma shape (P-sep decreases with increasing lower triangularity and increases with upper triangularity) and in divertor configuration. When the data are recast in terms of P-sep and Z(eff) or subdivertor neutral pressure a linear correlation is found, pointing to a possible role of Z(eff) and/or subdivertor neutral pressure in the L-H transition physics. Depending on the chosen divertor configuration, P-thr can be up to a factor of two lower than the ITPA scaling law for densities above n(e,min). A shallow edge radial electric field well is observed at the L-H transition. The edge impurity ion poloidal velocity remains low, close to its L-mode values, <= 5 kms(-1) +/- 2-3 kms(-1), at the L-H transition and throughout the H-mode phase, with no measureable increase within the experimental uncertainties. The edge toroidal rotation profile does not contribute to the depth of the negative E-r well and thus may not be correlated with the formation of the edge transport barrier in JET. C1 JET EFDA, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Maggi, C. F.; McCormick, K.; Bobkov, V.] Max Planck Inst Plasma Phys, EURATOM Assoc, D-85748 Garching, Germany. [Delabie, E.] EURATOM, Nieuwegein, Netherlands. [Biewer, T. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Groth, M.] Aalto Univ, Assoc EURATOM Tekes, Espo 02015, Finland. [Hawkes, N. C.; Rimini, F.; Andrew, Y.; Brix, M.; Flanagan, J.; Stamp, M. F.] CCFE Fus Assoc, Abingdon OX14 3DB, Oxon, England. [Lehnen, M.] Assoc EURATOM FZ, Julich, Germany. [de la Luna, E.; Solano, E. R.] Asoc EURATOM CIEMAT, Madrid, Spain. [Reux, C.; Bourdelle, C.] CEA, IRFM, EURATOM Assoc, F-13108 St Paul Les Durance, France. [Calabro, G.] Assoc EURATOM ENEA, Frascati, Italy. [Czarnecka, A.] Assoc EURATOM IPPLM, Warsaw, Poland. [Lerche, E.; Van Eester, D.] EURATOM, LPP ERM KMS, Brussels, Belgium. [Marsen, S.] Max Planck Inst Plasma Phys, EURATOM Assoc, D-17491 Greifswald, Germany. [Nunes, I.] IST, EURATOM Assoc, Lisbon, Portugal. RP Maggi, CF (reprint author), Max Planck Inst Plasma Phys, EURATOM Assoc, Boltzmannstr 2, D-85748 Garching, Germany. EM Costanza.Maggi@ipp.mpg.de RI Groth, Mathias/G-2227-2013; Solano, Emilia/A-1212-2009; Nunes, Isabel/D-1627-2017 OI Nunes, Isabel/0000-0003-0542-1982; Delabie, Ephrem/0000-0001-9834-874X; Solano, Emilia/0000-0002-4815-3407; FU EURATOM FX This work was supported by EURATOM and carried out within the framework of the European Fusion Development Agreement. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 39 TC 23 Z9 23 U1 1 U2 36 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD FEB PY 2014 VL 54 IS 2 AR 023007 DI 10.1088/0029-5515/54/2/023007 PG 15 WC Physics, Fluids & Plasmas SC Physics GA 304DF UT WOS:000330726300011 ER PT J AU Xiao, WW Diamond, PH Kim, WC Yao, LH Yoon, SW Ding, XT Hahn, SH Kim, J Xu, M Chen, CY Feng, BB Cheng, J Zhong, WL Shi, ZB Jiang, M Han, XY Nam, YU Ko, WH Lee, SG Bak, JG Ahn, JW Kim, HK Kim, HT Kim, KP Zou, XL Song, SD Song, JI Yu, YW Rhee, T Kwon, JM Huang, XL Yu, DL Lee, KD Park, SI Jung, M Zoletnik, S Lampert, M Tynan, GR Bae, YS Kwak, JG Yan, LW Duan, XR Oh, YK Dong, JQ AF Xiao, W. W. Diamond, P. H. Kim, W. C. Yao, L. H. Yoon, S. W. Ding, X. T. Hahn, S. H. Kim, J. Xu, M. Chen, C. Y. Feng, B. B. Cheng, J. Zhong, W. L. Shi, Z. B. Jiang, M. Han, X. Y. Nam, Y. U. Ko, W. H. Lee, S. G. Bak, J. G. Ahn, J. W. Kim, H. K. Kim, H. T. Kim, K. P. Zou, X. L. Song, S. D. Song, J. I. Yu, Y. W. Rhee, T. Kwon, J. M. Huang, X. L. Yu, D. L. Lee, K. D. Park, S. I. Jung, M. Zoletnik, S. Lampert, M. Tynan, G. R. Bae, Y. S. Kwak, J. G. Yan, L. W. Duan, X. R. Oh, Y. K. Dong, J. Q. CA KSTAR Team HL-2A Team TI ELM mitigation by supersonic molecular beam injection: KSTAR and HL-2A experiments and theory SO NUCLEAR FUSION LA English DT Article DE supersonic molecular beam injection (SMBI); ELM mitigation; transport ID FUSION-REACTORS; PLASMA; OPERATION; EROSION AB We report recent experimental results from HL-2A and KSTAR on ELM mitigation by supersonic molecular beam injection (SMBI). Cold particle deposition within the pedestal by SMBI is verified in both machines. The signatures of ELM mitigation by SMBI are an ELM frequency increase and ELM amplitude decrease. These persist for an SMBI influence time tau(I). Here, tau(I) is the time for the SMBI influenced pedestal profile to refill. An increase in f(ELM)(SMBI)/f(ELM)(0) and a decrease in the energy loss per ELM Delta W-ELM were achieved in both machines. Physical insight was gleaned from studies of density and v(Phi) (toroidal rotation velocity) evolution, particle flux and turbulence spectra, divertor heat load. The characteristic gradients of the pedestal density soften and a change in v(Phi) was observed during a tau(I) time. The spectra of the edge particle flux Gamma similar to <(v) over tilde (r)(n) over tilde (e)> and density fluctuation with and without SMBI were measured in HL-2A and in KSTAR, respectively. A clear phenomenon observed is the decrease in divertor heat load during the tau(I) time in HL-2A. Similar results are the profiles of saturation current density J(sat) with and without SMBI in KSTAR. We note that tau(I)/tau(p) (particle confinement time) is close to similar to 1, although there is a large difference in individual tau(I) between the two machines. This suggests that tau(I) is strongly related to particle-transport events. Experiments and analysis of a simple phenomenological model support the important conclusion that ELM mitigation by SMBI results from an increase in higher frequency fluctuations and transport events in the pedestal. C1 [Xiao, W. W.; Diamond, P. H.; Rhee, T.; Kwon, J. M.] Natl Fus Res Inst, WCI Ctr Fus Theory, Taejon, South Korea. [Xiao, W. W.; Yao, L. H.; Ding, X. T.; Chen, C. Y.; Feng, B. B.; Cheng, J.; Zhong, W. L.; Shi, Z. B.; Jiang, M.; Han, X. Y.; Song, S. D.; Huang, X. L.; Yu, D. L.; Yan, L. W.; Duan, X. R.; Dong, J. Q.] Southwestern Inst Phys, Chengdu, Peoples R China. [Xiao, W. W.; Kim, W. C.; Yoon, S. W.; Hahn, S. H.; Kim, J.; Nam, Y. U.; Ko, W. H.; Lee, S. G.; Bak, J. G.; Kim, H. K.; Kim, H. T.; Kim, K. P.; Song, J. I.; Rhee, T.; Lee, K. D.; Park, S. I.; Jung, M.; Bae, Y. S.; Kwak, J. G.; Oh, Y. K.] Natl Fus Res Inst, Taejon, South Korea. [Diamond, P. H.; Xu, M.; Tynan, G. R.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Ahn, J. W.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Zou, X. L.] CEA, IRFM, F-13108 St Paul Les Durance, France. [Yu, Y. W.] Inst Plasma Phys Acad Sci, Hefei, Peoples R China. [Zoletnik, S.; Lampert, M.] EURATOM, Wigner Res Ctr Phys, Budapest, Hungary. [Dong, J. Q.] Zhejiang Univ, Inst Fus Theory & Simulat, Hangzhou 310003, Zhejiang, Peoples R China. RP Xiao, WW (reprint author), Natl Fus Res Inst, WCI Ctr Fus Theory, Taejon, South Korea. EM xiaoww@swip.ac.cn FU National Science Foundation; PIRE project; US Department of Energy, Office of Fusion Energy Sciences FX This work is partially supported by the National Science Foundation, PIRE project and the US Department of Energy, Office of Fusion Energy Sciences. The authors gratefully acknowledge the computing resources provided by the Fusion cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. NR 20 TC 19 Z9 20 U1 3 U2 20 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD FEB PY 2014 VL 54 IS 2 AR 023003 DI 10.1088/0029-5515/54/2/023003 PG 18 WC Physics, Fluids & Plasmas SC Physics GA 304DF UT WOS:000330726300008 ER PT J AU Pena-Rodriguez, O Caro, M Rivera, A Olivares, J Perlado, JM Caro, A AF Pena-Rodriguez, Ovidio Caro, Magdalena Rivera, Antonio Olivares, Jose Manuel Perlado, Jose Caro, Alfredo TI Optical properties of Au-Ag alloys: An ellipsometric study SO OPTICAL MATERIALS EXPRESS LA English DT Article ID SPECTROSCOPIC ELLIPSOMETRY; NANOPARTICLES; CONSTANTS AB Optical properties of AgxAu1-x alloys were obtained experimentally using spectroscopic ellipsometry measurements on thin films fabricated by electron beam evaporation. Thin film thicknesses varied between 170 and 330 nm, making size effects negligible. Values of the complex refractive index of the pure metals were in good agreement with literature reports. The optical data set reported in this work can accurately reproduce experimental results. This is very important because there are not reliable and systematic optical constants for the alloys. Moreover, we show that the weighted average of the refractive indices of the pure metals fails to represent those of the alloys, not only in the region near the onset for interband transitions but also in the near-IR region. (C) 2014 Optical Society of America C1 [Pena-Rodriguez, Ovidio] UCM, UPM, CEI Campus Moncloa, Madrid, Spain. [Pena-Rodriguez, Ovidio; Rivera, Antonio; Manuel Perlado, Jose] Univ Politecn Madrid, Inst Fus Nucl, E-28006 Madrid, Spain. [Caro, Magdalena; Caro, Alfredo] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Olivares, Jose] Univ Autonoma Madrid, Ctr Microanalisis Mat, E-28049 Madrid, Spain. [Olivares, Jose] CSIC, Inst Opt, Consejo Super Invest Cient, E-28006 Madrid, Spain. RP Pena-Rodriguez, O (reprint author), UCM, UPM, CEI Campus Moncloa, Avda Complutense, Madrid, Spain. EM ovidio.pena@upm.es RI Pena-Rodriguez, Ovidio/C-6640-2009; Olivares, Jose/L-3432-2014; OI Pena-Rodriguez, Ovidio/0000-0002-7329-0550; Olivares, Jose/0000-0003-1775-9040; RIVERA, ANTONIO/0000-0002-8484-5099 FU Moncloa Campus of International Excellence (UCM-UPM); Los Alamos Laboratory Directed Research and Development (LDRD); Spanish ministry MINECO [AIC-A-2011-0718, MAT-2012-38541] FX The authors thank E. Bringa for fruitful discussions. J.K. Baldwin, C. Sheehan and the Center for Integrated Nanotechnologies (CINT) are acknowledged for synthesizing the samples and SEM characterization. E.G. Fu, Y.Q. Wang and the Ion Beam Materials Laboratory (IBML) team are also acknowledged, for their help performing ion irradiations and RBS analysis. OPR is grateful with Moncloa Campus of International Excellence (UCM-UPM) for the PICATA postdoctoral fellowship. This work was partially funded by the Los Alamos Laboratory Directed Research and Development (LDRD) Program and by the Spanish ministry MINECO, projects AIC-A-2011-0718 and MAT-2012-38541. NR 26 TC 14 Z9 14 U1 0 U2 27 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 2159-3930 J9 OPT MATER EXPRESS JI Opt. Mater. Express PD FEB 1 PY 2014 VL 4 IS 2 BP 403 EP 410 DI 10.1364/OME.4.000403 PG 8 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA 302AX UT WOS:000330574700027 ER PT J AU Taylor, NR Phillips, MC AF Taylor, N. R. Phillips, M. C. TI Differential laser absorption spectroscopy of uranium in an atmospheric pressure laser-induced plasma SO OPTICS LETTERS LA English DT Article ID OPTICAL-EMISSION SPECTROSCOPY; SOLID SAMPLES; ISOTOPE RATIOS; ENERGY-LEVELS; ABLATION; FLUORESCENCE; SPECTROMETRY AB A two-beam differential laser absorption technique is used to measure U-238 absorption spectra with high signal-to-noise ratios in an atmospheric pressure laser-induced plasma. High-resolution absorption spectra are presented for the U-238 861 nm transition in the presence of dry air at pressures up to 760 Torr. A spectral linewidth (FWHM) of 2.23 +/- 0.13 GHz was found for the U-238 line in dry air at 760 Torr. Absorption spectrum measurements using a low U-238 concentration NIST glass standard were used to demonstrate sensitivity of the approach. (C) 2014 Optical Society of America C1 [Taylor, N. R.; Phillips, M. C.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Phillips, MC (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM mark.phillips@pnnl.gov FU DOE/NNSA Office of Nonproliferation and Verification Research and Development [NA-22]; Pacific Northwest National Laboratory is operated for the US Department of Energy by the Battelle Memorial Institute [DE-AC05-76RLO1830] FX This work was supported by the DOE/NNSA Office of Nonproliferation and Verification Research and Development (NA-22). Pacific Northwest National Laboratory is operated for the US Department of Energy by the Battelle Memorial Institute under Contract No. DE-AC05-76RLO1830. We thank Bret D. Cannon for valuable discussions while preparing the manuscript. NR 18 TC 13 Z9 13 U1 1 U2 27 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 EI 1539-4794 J9 OPT LETT JI Opt. Lett. PD FEB 1 PY 2014 VL 39 IS 3 BP 594 EP 597 DI 10.1364/OL.39.000594 PG 4 WC Optics SC Optics GA 301ZO UT WOS:000330571200047 PM 24487874 ER PT J AU Frazer, L Schaller, RD Chang, KB Ketterson, JB Poeppelmeier, KR AF Frazer, Laszlo Schaller, Richard D. Chang, Kelvin B. Ketterson, John B. Poeppelmeier, Kenneth R. TI Third-harmonic generation in cuprous oxide: efficiency determination SO OPTICS LETTERS LA English DT Article ID ORDER HARMONIC-GENERATION; CU2O; CRYSTAL; GROWTH AB The efficiency of third-harmonic generation in cuprous oxide was measured. Intensities followed a noncubic power law that indicates nonperturbative behavior. Polarization anisotropy of the harmonic generation was demonstrated and related to the third-order susceptibility. The results will influence the understanding of harmonic generation in centrosymmetric materials and are potentially relevant to device design and the interpretation of exciton behavior. (C) 2014 Optical Society of America C1 [Frazer, Laszlo; Ketterson, John B.] Northwestern Univ, Dept Phys, Evanston, IL 60208 USA. [Schaller, Richard D.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Schaller, Richard D.; Chang, Kelvin B.; Poeppelmeier, Kenneth R.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Poeppelmeier, Kenneth R.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Frazer, L (reprint author), Northwestern Univ, Dept Phys, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM ol@laszlofrazer.com FU NSF IGERT [DGE-0801685]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; NSF [DMR-1307698]; Argonne National Laboratory under U.S. Department of Energy [DE-AC02-06CH11357]; MRSEC program of the NSF at the MRC of Northwestern [DMR-1121262] FX We gratefully acknowledge NSF IGERT DGE-0801685. 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. Crystal growth was supported by NSF DMR-1307698 and in part by Argonne National Laboratory under U.S. Department of Energy contract DE-AC02-06CH11357. This work made use of the X-ray and OMM Facilities supported by the MRSEC program of the NSF (DMR-1121262) at the MRC of Northwestern. NR 26 TC 4 Z9 4 U1 1 U2 19 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 EI 1539-4794 J9 OPT LETT JI Opt. Lett. PD FEB 1 PY 2014 VL 39 IS 3 BP 618 EP 621 DI 10.1364/OL.39.000618 PG 4 WC Optics SC Optics GA 301ZO UT WOS:000330571200053 PM 24487880 ER PT J AU Yoder, GL Aaron, A Cunningham, B Fugate, D Holcomb, D Kisner, R Peretz, F Robb, K Wilgen, J Wilson, D AF Yoder, Graydon L., Jr. Aaron, Adam Cunningham, Burns Fugate, David Holcomb, David Kisner, Roger Peretz, Fred Robb, Kevin Wilgen, John Wilson, Dane TI An experimental test facility to support development of the fluoride-salt-cooled high-temperature reactor SO ANNALS OF NUCLEAR ENERGY LA English DT Article DE Fluoride salt; Molten salt; Liquid salt; AHTR; FHR; Experiment ID RADIATIVE HEAT-TRANSFER; PACKED-BEDS; WALL; GENERATION; SPHERES AB The need for high-temperature (greater than 600 degrees C) energy transport systems is significantly increasing as the world strives to improve energy efficiency and develop alternatives to petroleum-based fuels. Liquid fluoride salts are one of the few energy transport fluids that have the capability of operating at high temperatures in combination with low system pressures. The fluoride-salt-cooled high-temperature reactor design uses fluoride salt to remove core heat and interface with a power conversion system. Although a significant amount of experimentation has been performed with these salts, specific aspects of this reactor concept will require experimental confirmation during the development process. The experimental facility described here has been constructed to support the development of the fluoride-salt-cooled high-temperature reactor concept. The facility is capable of operating at up to 700 degrees C and incorporates a centrifugal pump to circulate FLiNaK salt through a removable test section. A unique inductive heating technique is used to apply heat to the test section, allowing heat transfer testing to be performed. An air-cooled heat exchanger removes added heat. Supporting loop infrastructure includes a pressure control system, a trace heating system, and a complement of instrumentation to measure salt flow, temperatures, and pressures around the loop. The initial experiment is aimed at measuring fluoride-salt heat transfer inside a heated pebble bed similar to that used for the core of the pebble-bed advanced high-temperature reactor. This paper describes the details of the loop design, auxiliary systems used to support the facility, inductive heating system, and facility capabilities. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Yoder, Graydon L., Jr.; Aaron, Adam; Cunningham, Burns; Fugate, David; Holcomb, David; Kisner, Roger; Peretz, Fred; Robb, Kevin; Wilgen, John; Wilson, Dane] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yoder, GL (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM yodergljr@ornl.gov OI Holcomb, David/0000-0001-8263-4661 FU US Department of Energy [DE-AC05-00OR22725] FX This manuscript has been authored by UT-Battelle LLC under Contract No. DE-AC05-00OR22725 with the US 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 26 TC 3 Z9 3 U1 3 U2 29 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD FEB PY 2014 VL 64 BP 511 EP 517 DI 10.1016/j.anucene.2013.08.008 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 300VA UT WOS:000330490900055 ER PT J AU Bellum, J Field, E Kletecka, D Long, F AF Bellum, John Field, Ella Kletecka, Damon Long, Finis TI Reactive ion-assisted deposition of e-beam evaporated titanium for high refractive index TiO2 layers and laser damage resistant, broad bandwidth, high-reflection coatings SO APPLIED OPTICS LA English DT Article ID FILMS AB High-reflection coatings with broad bandwidth can be achieved by pairing a low refractive index material, such as SiO2, with a high refractive index material, such as TiO2. To achieve high refractive index, low absorption TiO2 films, we optimized the reactive, ion-assisted deposition process (O-2 levels, deposition rate, and ion beam settings) using e-beam evaporated Ti. TiO2 high-index layers were then paired with SiO2 low-index layers in a quarter-wave-type coating to achieve a broader high-reflection bandwidth compared to the same coating composed of HfO2/SiO2 layer pairs. However, the improved bandwidth exhibited by the TiO2/SiO2 coating is associated with lower laser damage threshold. To improve the laser damage resistance of the TiO2/SiO2 coating, we also created four coatings where HfO2 replaced some of the outer TiO2 layers. We present the laser damage results of these coatings to understand the trade-offs between good laser damage resistance and high-reflection bandwidth using TiO2 and HfO2. (C) 2013 Optical Society of America C1 [Bellum, John; Field, Ella; Kletecka, Damon; Long, Finis] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bellum, J (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jcbellu@sandia.gov OI Bellum, John/0000-0003-2230-5553 FU U. S. Department of Energy's National Nuclear Security Administration [AC04-94AL85000] FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U. S. Department of Energy's National Nuclear Security Administration under contract AC04-94AL85000. NR 7 TC 9 Z9 9 U1 3 U2 8 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD FEB 1 PY 2014 VL 53 IS 4 BP A205 EP A211 DI 10.1364/AO.53.00A205 PG 7 WC Optics SC Optics GA 300SS UT WOS:000330484500029 PM 24514216 ER PT J AU Stolz, CJ Wolfe, JE Adams, JJ Menor, MG Teslich, NE Mirkarimi, PB Folta, JA Soufli, R Menoni, CS Patel, D AF Stolz, Christopher J. Wolfe, Justin E. Adams, John J. Menor, Marlon G. Teslich, Nick E. Mirkarimi, Paul B. Folta, James A. Soufli, Regina Menoni, Carmen S. Patel, Dinesh TI High laser-resistant multilayer mirrors by nodular defect planarization [Invited] SO APPLIED OPTICS LA English DT Article ID DAMAGE; MICROSCOPY; COATINGS AB Substrate defect planarization has been shown to increase the laser resistance of 1053 nm mirror coatings to greater than 100 J/cm(2), an increase of 20-fold, when tested with 10 ns laser pulses. Substrate surface particles that are overcoated with optical interference mirror coatings become nodular defects, which behave as microlenses intensifying light into the defect structure. By a discrete process of angle-dependent ion etching and unidirectional ion-beam deposition, substrate defects can be reduced in cross-sectional area by over 90%. (C) 2014 Optical Society of America C1 [Stolz, Christopher J.; Wolfe, Justin E.; Adams, John J.; Menor, Marlon G.; Teslich, Nick E.; Mirkarimi, Paul B.; Folta, James A.; Soufli, Regina] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Menoni, Carmen S.; Patel, Dinesh] Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA. RP Stolz, CJ (reprint author), Lawrence Livermore Natl Lab, POB 808,L-460, Livermore, CA 94551 USA. EM stolz1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [W-7405-ENG-48]; Office of Naval Research [N00014-06-1-0523.LLNL-JRNL-642712] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. W-7405-ENG-48. The work at Colorado State University used facilities developed with support from the Office of Naval Research through grant N00014-06-1-0523.LLNL-JRNL-642712. NR 16 TC 20 Z9 21 U1 2 U2 18 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD FEB 1 PY 2014 VL 53 IS 4 BP A291 EP A296 DI 10.1364/AO.53.00A291 PG 6 WC Optics SC Optics GA 300SS UT WOS:000330484500041 PM 24514230 ER PT J AU Zhang, XJ Beres, M Ma, ZX Mao, SS AF Zhang, Xiaojun Beres, Matthew Ma, Zhixun Mao, Samuel S. TI Optimization of ZnSe film growth conditions for p-type doping SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING LA English DT Article ID MOLECULAR-BEAM EPITAXY AB Wide bandgap semiconductors such as ZnSe and ZnO have attracted great interest due to their applications in solar cells, light emitting diodes, and lasers. However, these wide bandgap semiconductors are frequently difficult to be doped to heavy concentrations, greatly limiting their application. A substrate holder with a natural temperature gradient was developed for batch growth of films at different deposition temperatures, in order to investigate ZnSe film growth and doping challenges. Thin ZnSe films were grown by pulsed laser deposition and characterized using X-ray diffraction, optical transmission and reflection, Raman spectroscopy, and Energy Dispersive X-ray analysis. Deposition temperature and film stoichiometry (Zn:Se) are shown to be significant factors affecting ZnSe growth and doping. ZnSe films with improved crystallinity have been obtained by enriching with selenium and depositing at an optimized temperature. Heavily p-type ZnSe films with hole concentrations of similar to 2.7 x 10(19) cm(-3) and resistivities of similar to 0.099 Ohm cm have been obtained (compared with previous reports of similar to 1 x 10(18) cm(-3) and similar to 0.75 Ohm cm). The results, which are consistent with previous theoretical prediction of compensating defects in ZnSe films, can help to optimize ZnSe growth conditions and understand doping challenges in wide bandgap semiconductors. C1 [Zhang, Xiaojun; Beres, Matthew; Ma, Zhixun; Mao, Samuel S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Zhang, Xiaojun; Beres, Matthew; Mao, Samuel S.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. RP Zhang, XJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM xzhang2@lbl.gov; ssmao@berkeley.edu FU US Department of Energy [DE-AC02-05CH11231] FX This research has been supported by US Department of Energy, under contract number DE-AC02-05CH11231. The authors would like to thank Jianfeng Xu for his valuable comments. NR 14 TC 3 Z9 3 U1 2 U2 26 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0947-8396 EI 1432-0630 J9 APPL PHYS A-MATER JI Appl. Phys. A-Mater. Sci. Process. PD FEB PY 2014 VL 114 IS 2 BP 347 EP 350 DI 10.1007/s00339-013-8163-8 PG 4 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 302EZ UT WOS:000330586200010 ER PT J AU Lafreniere, NM Shih, SCC Abu-Rabie, P Jebrail, MJ Spooner, N Wheeler, AR AF Lafreniere, Nelson M. Shih, Steve C. C. Abu-Rabie, Paul Jebrail, Mais J. Spooner, Neil Wheeler, Aaron R. TI Multiplexed extraction and quantitative analysis of pharmaceuticals from DBS samples using digital microfluidics SO BIOANALYSIS LA English DT Article ID DRIED BLOOD SPOT; DESORPTION ELECTROSPRAY-IONIZATION; MASS-SPECTROMETRY; WHOLE-BLOOD; SMALL MOLECULES; FILTER-PAPER; BIOANALYSIS; MS/MS; INTERFACE; DIAGNOSIS AB Background: Dried blood spot (DBS) sampling is emerging as a valuable technique in a variety of fields, including clinical and preclinical testing of pharmaceuticals. Despite this popularity, current DBS sampling and analysis processes remain laborious and time consuming. Digital microfluidics, a microscale liquid-handling technique, characterized by the manipulation of discrete droplets on open electrode arrays, offers a potential solution to these problems. Results: We report a new digital microfluidic method for multiplexed extraction and analysis of pharmaceuticals in DBS samples. In the new method, four DBS samples are extracted in microliter-sized droplets containing internal standard, and the extract is delivered to dedicated nanoelectrospray ionization emitters for direct analysis by tandem mass spectometry and selected reaction monitoring. Conclusion: The new method allows for an order of magnitude reduction in processing time and approximately three-times reduction in extraction solvent relative to conventional techniques, while maintaining acceptable analytical performance for most drugs tested. C1 [Lafreniere, Nelson M.; Jebrail, Mais J.; Wheeler, Aaron R.] Univ Toronto, Dept Chem, Toronto, ON M5S 3H6, Canada. [Shih, Steve C. C.; Wheeler, Aaron R.] Inst Biomat & Biomed Engn, Toronto, ON M5S 3G9, Canada. [Shih, Steve C. C.] Joint Bioenergy Inst JBEI, Emeryville, CA 94608 USA. [Abu-Rabie, Paul; Spooner, Neil] GlaxoSmithKline Pharmaceut R&D, Drug Metab & Pharmacokinet, Ware SG12 0DP, Herts, England. [Abu-Rabie, Paul] Univ Greenwich, Sch Sci, Medway, Kent, England. [Jebrail, Mais J.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Wheeler, AR (reprint author), Univ Toronto, Dept Chem, 80 St George St, Toronto, ON M5S 3H6, Canada. EM aaron.wheeler@utoronto.ca RI Shih, Steve/H-4938-2014; OI Wheeler, Aaron/0000-0001-5230-7475 FU Ontario Centers of Excellence and GlaxoSmithKline; Ontario Graduate Scholarship program for an Ontario Graduate Scholarship; NSERC FX We thank Mars Innovation, the Ontario Centers of Excellence and GlaxoSmithKline for financial support. NM Lafreniere thanks the Ontario Graduate Scholarship program for an Ontario Graduate Scholarship, SCC Shih thanks NSERC for a PGS fellowship and AR Wheeler thanks the Canada Research Chair Program for a Canada Research Chair. The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed.; No writing assistance was utilized in the production of this manuscript. NR 54 TC 16 Z9 16 U1 1 U2 42 PU FUTURE SCI LTD PI LONDON PA UNITED HOUSE, 2 ALBERT PL, LONDON, N3 1QB, ENGLAND SN 1757-6180 EI 1757-6199 J9 BIOANALYSIS JI Bioanalysis PD FEB PY 2014 VL 6 IS 3 BP 307 EP 318 DI 10.4155/BIO.13.311 PG 12 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 298IA UT WOS:000330316200011 PM 24471952 ER PT J AU Bulmer, JS Rickel, DG Haugan, TJ AF Bulmer, John S. Rickel, Dwight G. Haugan, Timothy J. TI Switching Response of YBa2Cu3O7-delta to Simultaneous Application of Near-Critical Current, Field, and Temperature SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Cryotrons; high pulsed magnetic field; Lorentz force free; superconducting to normal (SN) transition; YBa2Cu3O7-x ID PULSED MAGNETIC-FIELD; THIN-FILMS; TRANSPORT MEASUREMENTS; MICROWAVE-ABSORPTION; FLUX-FLOW; SUPERCONDUCTORS; PHOTORESPONSE; DRIVEN; STATE AB We injected a dc near-critical current through a yttrium-barium-copper oxide (YBCO) superconductor microbridge in the presence of a high pulsed ac magnetic field (10 MT/s up to 20 T) parallel to the dc current flow-the so-called Lorentz force free configuration. A transmitted RF signal probed the YBCO mixed state that followed the ac magnetic field cycles. Based on inflection points on this modulated RF signal, we found where the YBCO switched from a superconducting to normal (S-N) state. Injecting a dc near-critical current does not affect the S-N switch time or the S-N field point, at least 2 degrees below the critical temperature, i.e., T-c. Rather, the injected dc current only suppresses the RF signal's magnitude across its duration. At 5 degrees below T-c, injecting a current does modify the S-N transition point and shorten the switch time. Applications for cryotron-like switches in superconducting magnetic energy storage devices are discussed. C1 [Bulmer, John S.] Hyper Tech Res Inc, Columbus, OH 43228 USA. [Rickel, Dwight G.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Haugan, Timothy J.] Air Force Res Lab, Aerosp Syst Directorate, Wright Patterson AFB, OH 45433 USA. RP Bulmer, JS (reprint author), Hyper Tech Res Inc, Columbus, OH 43228 USA. EM jb833@cam.ac.uk FU National Science Foundation [DMR-0654118]; State of Florida; U.S. Department of Energy FX Manuscript received January 23, 2013; revised October 1, 2013 and October 30, 2013; accepted November 10, 2013. Date of publication November 21, 2013; date of current version December 27, 2013. This work was supported in part by the National Science Foundation Cooperative under Agreement DMR-0654118, by the State of Florida, and by the U.S. Department of Energy. This paper was recommended by Associate Editor J. O. Willis. NR 39 TC 0 Z9 0 U1 2 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD FEB PY 2014 VL 24 IS 1 AR 5700609 DI 10.1109/TASC.2013.2292116 PG 9 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 298AU UT WOS:000330297100009 ER PT J AU Grilli, F Pardo, E Stenvall, A Nguyen, DN Yuan, WJ Gomory, F AF Grilli, Francesco Pardo, Enric Stenvall, Antti Nguyen, Doan N. Yuan, Weijia Goemoery, Fedor TI Computation of Losses in HTS Under the Action of Varying Magnetic Fields and Currents SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Alternate current (ac) losses; coupling losses; eddy-current losses; hysteresis losses; magnetic materials; numerical modeling ID YBCO COATED CONDUCTORS; EDDY-CURRENT PROBLEMS; AC TRANSPORT CURRENT; FINITE-ELEMENT-METHOD; HIGH-TEMPERATURE SUPERCONDUCTORS; CRITICAL-CURRENT DENSITY; CRITICAL-STATE-MODEL; ALTERNATING-CURRENT LOSSES; MULTIFILAMENTARY BI-2223/AG CONDUCTORS; HIGH-TC SUPERCONDUCTORS AB Numerical modeling of superconductors is widely recognized as a powerful tool for interpreting experimental results, understanding physical mechanisms, and predicting the performance of high-temperature-superconductor (HTS) tapes, wires, and devices. This is particularly true for ac loss calculation since a sufficiently low ac loss value is imperative to make these materials attractive for commercialization. In recent years, a large variety of numerical models, which are based on different techniques and implementations, has been proposed by researchers around the world, with the purpose of being able to estimate ac losses in HTSs quickly and accurately. This paper presents a literature review of the methods for computing ac losses in HTS tapes, wires, and devices. Technical superconductors have a relatively complex geometry (filaments, which might be twisted or transposed, or layers) and consist of different materials. As a result, different loss contributions exist. In this paper, we describe the ways of computing such loss contributions, which include hysteresis losses, eddy-current losses, coupling losses, and losses in ferromagnetic materials. We also provide an estimation of the losses occurring in a variety of power applications. C1 [Grilli, Francesco] Karlsruhe Inst Technol, Inst Tech Phys, D-76131 Karlsruhe, Germany. [Pardo, Enric; Goemoery, Fedor] Slovak Acad Sci, Inst Elect Engn, Bratislava 81438, Slovakia. [Stenvall, Antti] Tampere Univ Technol, FIN-33101 Tampere, Finland. [Nguyen, Doan N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Yuan, Weijia] Univ Bath, Bath BA2 7AY, Avon, England. RP Grilli, F (reprint author), Karlsruhe Inst Technol, Inst Tech Phys, D-76131 Karlsruhe, Germany. EM francesco.grilli@kit.edu RI Pardo, Enric/A-7566-2008; OI Pardo, Enric/0000-0002-6375-4227; Yuan, Weijia/0000-0002-7953-4704 FU Helmholtz University Young Investigators Program [VH-NG-617]; Agency for the Structural Funds of the European Union from the Ministry of Education, Science, Research and Sports of the Slovak Republic [26240220028]; Academy of Finland [131577]; Foundation for Technology Promotion in Finland; Emil Aaltonen Foundation; Los Alamos National Laboratory through the Laboratory Directed Research and Development Program [20120603ER] FX Manuscript received September 24, 2012; accepted April 16, 2013. Date of current version October 23, 2013. The work of F. Grilli was supported by the Helmholtz University Young Investigators Program under Grant VH-NG-617. The work of E. Pardo was supported by the Agency for the Structural Funds of the European Union from the Ministry of Education, Science, Research and Sports of the Slovak Republic under Contract 26240220028. The work of A. Stenvall was supported in part by the Academy of Finland under Project 131577, by the Foundation for Technology Promotion in Finland, and by the Emil Aaltonen Foundation. The work of D. Nguyen was supported by the Los Alamos National Laboratory through the Laboratory Directed Research and Development Program under Grant 20120603ER. This paper was recommended by Associate Editor P. J. Masson. NR 328 TC 64 Z9 64 U1 8 U2 67 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 FEB PY 2014 VL 24 IS 1 AR 8200433 DI 10.1109/TASC.2013.2259827 PG 33 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 298AU UT WOS:000330297100012 ER PT J AU Lim, YW Evangelista, JS Schmieder, R Bailey, B Haynes, M Furlan, M Maughan, H Edwards, R Rohwer, F Conrad, D AF Lim, Yan Wei Evangelista, Jose S., III Schmieder, Robert Bailey, Barbara Haynes, Matthew Furlan, Mike Maughan, Heather Edwards, Robert Rohwer, Forest Conrad, Douglas TI Clinical Insights from Metagenomic Analysis of Sputum Samples from Patients with Cystic Fibrosis SO JOURNAL OF CLINICAL MICROBIOLOGY LA English DT Article ID MULTIPLE ANTIBIOTIC-RESISTANCE; STENOTROPHOMONAS-MALTOPHILIA; NEXT-GENERATION; VIRAL COMMUNITIES; ESCHERICHIA-COLI; GENES; INDIVIDUALS; OUTBREAK; CANCER; LUNG AB As DNA sequencing becomes faster and cheaper, genomics-based approaches are being explored for their use in personalized diagnoses and treatments. Here, we provide a proof of principle for disease monitoring using personal metagenomic sequencing and traditional clinical microbiology by focusing on three adults with cystic fibrosis (CF). The CF lung is a dynamic environment that hosts a complex ecosystem composed of bacteria, viruses, and fungi that can vary in space and time. Not surprisingly, the microbiome data from the induced sputum samples we collected revealed a significant amount of species diversity not seen in routine clinical laboratory cultures. The relative abundances of several species changed as clinical treatment was altered, enabling the identification of the climax and attack communities that were proposed in an earlier work. All patient microbiomes encoded a diversity of mechanisms to resist antibiotics, consistent with the characteristics of multidrug-resistant microbial communities that are commonly observed in CF patients. The metabolic potentials of these communities differed by the health status and recovery route of each patient. Thus, this pilot study provides an example of how metagenomic data might be used with clinical assessments for the development of treatments tailored to individual patients. C1 [Lim, Yan Wei; Haynes, Matthew; Furlan, Mike; Rohwer, Forest] San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. [Evangelista, Jose S., III; Conrad, Douglas] Univ Calif San Diego, Dept Med, La Jolla, CA 92093 USA. [Schmieder, Robert; Edwards, Robert] San Diego State Univ, Computat Sci Res Ctr, San Diego, CA 92182 USA. [Bailey, Barbara] San Diego State Univ, Dept Math & Stat, San Diego, CA 92182 USA. [Maughan, Heather] Ronin Inst, Montclair, NJ USA. [Edwards, Robert] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Lim, YW (reprint author), San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. EM ylim@rohan.sdsu.edu NR 44 TC 35 Z9 35 U1 1 U2 33 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0095-1137 EI 1098-660X J9 J CLIN MICROBIOL JI J. Clin. Microbiol. PD FEB PY 2014 VL 52 IS 2 BP 425 EP 437 DI 10.1128/JCM.02204-13 PG 13 WC Microbiology SC Microbiology GA 300DI UT WOS:000330444200008 PM 24478471 ER PT J AU Rozo, E Rykoff, ES Bartlett, JG Evrard, A AF Rozo, E. Rykoff, E. S. Bartlett, J. G. Evrard, A. TI A comparative study of local galaxy clusters - I. Derived X-ray observables SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: clusters: general ID SCALING RELATIONS; MASS PROFILE; XMM-NEWTON; REPRESENTATIVE SAMPLE; TEMPERATURE PROFILES; INTRACLUSTER MEDIUM; SUNYAEV-ZELDOVICH; OBSERVED GROWTH; MERGER EVENTS; COLD-FRONT AB We examine systematic differences in the derived X-ray properties of galaxy clusters as reported by three different groups: Vikhlinin et al., Mantz et al. and Plank Collaboration. The sample overlap between any two pairs of works ranges between 16 to 28 galaxy clusters. We find systematic differences in most reported X-ray properties, including the total cluster mass, M-500. The most extreme case is an average 45 +/- 5 per cent difference in cluster mass between the Plank Collaboration and Mantz et al., for clusters at z > 0.13 (averaged over 16 clusters). These differences also induce differences in cluster observables defined within an R-500 aperture. After accounting for aperture differences, we find very good agreement in gas mass estimates between the different groups. However, the soft-band X-ray luminosity, L-X, core-excised spectroscopic temperature, T-X, and gas thermal energy, Y-X = M-gas T-X display mean differences at the 5-15 per cent level. We also find that the low (z <= 0.13) and high (z >= 0.13) redshift galaxy cluster samples in Plank Collaboration appear to be systematically different: the Y-SZ/Y-X ratio for each of these two sub-samples is ln (Y-SZ/Y-X) = -0.06 +/- 0.04 and ln (Y-SZ/Y-X) = 0.08 +/- 0.04, respectively. C1 [Rozo, E.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Rozo, E.] Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Rozo, E.; Rykoff, E. S.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Rykoff, E. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bartlett, J. G.] Univ Paris Diderot, Observ Paris, Sorbonne Paris Cite, APC,CNRS,IN2P3,CEA,Irfu, F-75205 Paris 13, France. [Bartlett, J. G.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Evrard, A.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Evrard, A.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Evrard, A.] Univ Michigan, Michigan Ctr Theoret Phys, Ann Arbor, MI 48109 USA. RP Rozo, E (reprint author), Univ Chicago, Dept Astron & Astrophys, 5640 S Ellis Ave, Chicago, IL 60637 USA. EM erozo@slac.stanford.edu OI Evrard, August/0000-0002-4876-956X FU National Science Foundation [PHY05-51164]; NASA through the Einstein Fellowship Program [PF9-00068]; NSF [AST-0708150]; NASA [NNX07AN58G]; National Aeronautics and Space Administration; US Department of Energy [DE-AC02-76SF00515] FX The authors would like to thank Adam Mantz, Alexey Vikhlinin, Gabriel Pratt, Monique Arnaud and Steven Allen for useful criticisms on earlier drafts of this work. The authors would also like to thank the organizers of the Monsters Inc. workshop at KITP, supported in part by the National Science Foundation under Grant no. PHY05-51164, where this collaboration was started. ER gratefully acknowledges the hospitality of the AstroParticle and Cosmology laboratory (APC) at the Universite Paris Diderot, where part of this work took place. ER is funded by NASA through the Einstein Fellowship Program, grant PF9-00068. AEE acknowledges support from NSF AST-0708150 and NASA NNX07AN58G. A portion of the research described in this paper was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. This work was supported in part by the US Department of Energy contract to SLAC no. DE-AC02-76SF00515. NR 56 TC 27 Z9 27 U1 1 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD FEB PY 2014 VL 438 IS 1 BP 49 EP 61 DI 10.1093/mnras/stt2091 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 300IH UT WOS:000330457100025 ER PT J AU Rozo, E Evrard, AE Rykoff, ES Bartlett, JG AF Rozo, E. Evrard, A. E. Rykoff, E. S. Bartlett, J. G. TI A comparative study of local galaxy clusters - II. X-ray and SZ scaling relations SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: clusters: general ID LUMINOSITY-TEMPERATURE RELATION; DIGITAL SKY SURVEY; COSMOLOGICAL CONSTRAINTS; INTRACLUSTER MEDIUM; OBSERVED GROWTH; MASS; CHANDRA; CATALOG; SCATTER; SAMPLE AB We compare cluster scaling relations published for three different samples selected via X-ray and Sunyaev-Zel'dovich (SZ) signatures. We find tensions driven mainly by two factors: (i) systematic differences in the X-ray cluster observables used to derive the scaling relations and (ii) uncertainty in the modelling of how the gas mass of galaxy clusters scales with total mass. All scaling relations are in agreement after accounting for these two effects. We describe a multivariate scaling model that enables a fully self-consistent treatment of multiple observational catalogues in the presence of property covariance and apply this formalism when interpreting published results. The corrections due to scatter and observable covariance can be significant. For instance, our predicted Y-SZ-L-X scaling relation differs from that derived using the naive 'plug in' method by approximate to 25 per cent. Finally, we test the mass normalization for each of the X-ray data sets we consider by applying a space density consistency test: we compare the observed ROSAT-ESO Flux-Limited X-ray (REFLEX) luminosity function to expectations from published L-X-M relations convolved with the mass function for a Wilkinson Microwave Anisotropy Probe 7 flat Lambda cold dark matter model. C1 [Rozo, E.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Rozo, E.] Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Evrard, A. E.] Univ Michigan, Dept Phys & Astron, Ann Arbor, MI 48109 USA. [Evrard, A. E.] Univ Michigan, Michigan Ctr Theoret Phys, Ann Arbor, MI 48109 USA. [Rykoff, E. S.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Rykoff, E. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bartlett, J. G.] Univ Paris Diderot, APC, Observ Paris, CNRS,IN2P3,CEA,Irfu,Sorbonne Paris Cite, Paris 13, France. [Bartlett, J. G.] CALTECH, Jet Prop Lab, Pasadena, CA USA. RP Rozo, E (reprint author), Univ Chicago, Dept Astron & Astrophys, 5640 S Ellis Ave, Chicago, IL 60637 USA. EM erozo@slac.stanford.edu OI Evrard, August/0000-0002-4876-956X FU National Science Foundation [PHY05-51164]; NASA [PF9-00068, NNX07AN58G]; NSF [AST-0708150]; Institut Universitaire de France; National Aeronautics and Space Administration; US Department of Energy [DE-AC02-76SF00515] FX The authors would like to thank Adam Mantz, Alexey Vikhlinin, Gabriel Pratt, Monique Arnaud and Steven Allen for useful criticisms on earlier drafts of this work. The authors would also like to thank the organizers of the Monsters Inc. workshop at KITP, supported in part by the National Science Foundation under Grant No. PHY05-51164, where this collaboration was started. ER gratefully acknowledges the hospitality of the AstroParticle and Cosmology laboratory (APC) at the Universite Paris Diderot, where part of this work took place. ER is funded by NASA through the Einstein Fellowship Programme, grant PF9-00068. AEE acknowledges support from NSF AST-0708150 and NASA NNX07AN58G. JGB gratefully acknowledges support from the Institut Universitaire de France. A portion of the research described in this paper was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. This work was supported in part by the US Department of Energy contract to SLAC no. DE-AC02-76SF00515. NR 55 TC 24 Z9 24 U1 1 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD FEB PY 2014 VL 438 IS 1 BP 62 EP 77 DI 10.1093/mnras/stt2160 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 300IH UT WOS:000330457100026 ER PT J AU Rozo, E Bartlett, JG Evrard, AE Rykoff, ES AF Rozo, E. Bartlett, J. G. Evrard, A. E. Rykoff, E. S. TI Closing the loop: a self-consistent model of optical, X-ray and Sunyaev-Zel'dovich scaling relations for clusters of Galaxies SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: clusters: general ID DIGITAL SKY SURVEY; MASS-RICHNESS RELATION; RING-LIKE STRUCTURE; DARK-MATTER HALOS; COSMOLOGICAL CONSTRAINTS; LENSING ANALYSIS; MAXBCG CLUSTERS; ACS/NIC3 OBSERVATIONS; VELOCITY DISPERSION; INTRACLUSTER MEDIUM AB We demonstrate that optical data from Sloan Digital Sky Survey, X-ray data from ROSAT and Chandra, and Sunyaev-Zel'dovich (SZ) data from Planck can be modelled in a fully self-consistent manner. After accounting for systematic errors and allowing for property covariance, we find that scaling relations derived from optical and X-ray selected cluster samples are consistent with one another. Moreover, these cluster scaling relations satisfy several non-trivial spatial abundance constraints and closure relations. Given the good agreement between optical and X-ray samples, we combine the two and derive a joint set of L-X-M and Y-SZ-M relations. Our best-fitting Y-SZ-M relation is in good agreement with the observed amplitude of the thermal SZ power spectrum for a Wilkinson Microwave Anisotropy Probe 7 cosmology, and is consistent with the masses for the two CLASH galaxy clusters published thus far. We predict the halo masses of the remaining z <= 0.4 CLASH clusters, and use our scaling relations to compare our results with a variety of X-ray and weak lensing cluster masses from the literature. C1 [Rozo, E.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Rozo, E.] Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Bartlett, J. G.] Univ Paris Diderot, APC, Observ Paris, CNRS,IN2P3,CEA,Irfu,Sorbonne Paris Cite, Paris 13, France. [Bartlett, J. G.] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Evrard, A. E.] Univ Michigan, Dept Phys & Astron, Ann Arbor, MI 48109 USA. [Evrard, A. E.] Univ Michigan, Michigan Ctr Theoret Phys, Ann Arbor, MI 48109 USA. [Rykoff, E. S.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Rykoff, E. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Rozo, E (reprint author), Univ Chicago, Dept Astron & Astrophys, 5640 S Ellis Ave, Chicago, IL 60637 USA. EM erozo@slac.stanford.edu OI Evrard, August/0000-0002-4876-956X FU National Science Foundation [PHY05-51164]; NASA through the Einstein Fellowship Programme [PF9-00068]; NSF [AST-0708150]; NASA [NNX07AN58G]; Institut Universitaire de France; National Aeronautics and Space Administration; US Department of Energy [DE-AC02-76SF00515] FX The authors would like to thank the organizers of the Monsters Inc., workshop at KITP, supported in part by the National Science Foundation under grant no. PHY05-51164, where this collaboration was started. The authors also gratefully acknowledge T. Biesiadzinski for sharing his systematic corrections to YSZ in the maxBCG data and A. Mantz for sharing his X-ray luminosities for those systems not published in M10. ER gratefully acknowledges the hospitality of the AstroParticle and Cosmology laboratory (APC) at the Universite Paris Diderot, where part of this work took place. ER is funded by NASA through the Einstein Fellowship Programme, grant PF9-00068. AEE acknowledges support from NSF AST-0708150 and NASA NNX07AN58G. JGB gratefully acknowledges support from the Institut Universitaire de France. A portion of the research described in this paper was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. This work was supported in part by the US Department of Energy contract to SLAC no. DE-AC02-76SF00515. NR 88 TC 35 Z9 35 U1 1 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD FEB PY 2014 VL 438 IS 1 BP 78 EP 96 DI 10.1093/mnras/stt2161 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 300IH UT WOS:000330457100027 ER PT J AU Kleiser, IKW Kasen, D AF Kleiser, Io K. W. Kasen, Daniel TI Rapidly fading supernovae from massive star explosions SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE radiative transfer; supernovae: general; supernovae: individual: SN 2010X; supernovae: individual: SN 2002bj; supernovae: individual: SN 2005ek; supernovae: individual: SN 1994I ID ACCRETION-INDUCED COLLAPSE; NICKEL-RICH OUTFLOWS; WOLF-RAYET STARS; LIGHT CURVES; IA SUPERNOVAE; WHITE-DWARFS; LUMINOUS SUPERNOVAE; PROGENITOR STARS; IB SUPERNOVAE; II SUPERNOVAE AB Transient surveys have recently discovered a class of supernovae (SNe) with extremely rapidly declining light curves. These events are also often relatively faint, especially compared to Type Ia SNe. The common explanation for these events involves a weak explosion, producing a radioactive outflow with small ejected mass and kinetic energy (M similar to 0.1 M-circle dot and E similar to 0.1 B, respectively), perhaps from the detonation of a helium shell on a white dwarf. We argue, in contrast, that these events may be Type Ib/c SNe with typical masses and energies (M similar to 3 M-circle dot, E similar to 1 B), but which ejected very little radioactive material. In our picture, the light curve is powered by the diffusion of thermal energy deposited by the explosion shock wave, and the rapid evolution is due to recombination, which reduces the opacity and results in an 'oxygen-plateau' light curve. Using a radiative transfer code and simple 1D ejecta profiles, we generate synthetic spectra and light curves and demonstrate that this model can reasonably fit the observations of one event, SN 2010X. Similar models may explain the features of other rapidly evolving SNe such as SN 2002bj and SN 2005ek. SNe such as these may require stripped-envelope progenitors with rather large radii (R similar to 20 R-circle dot), which may originate from a mass-loss episode occurring just prior to explosion. C1 [Kleiser, Io K. W.] CALTECH, Dept Astron, Pasadena, CA 91125 USA. [Kasen, Daniel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kasen, Daniel] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Kleiser, IKW (reprint author), CALTECH, Dept Astron, Pasadena, CA 91125 USA. EM ikleiser@caltech.edu FU NSF Astronomy and Astrophysics Grant [AST-1109896]; NSF Division of Astronomical Sciences collaborative research grant [AST-1206097]; Department of Energy National Nuclear Security Administration Stewardship Science Graduate Fellowship; Department of Energy Office of Nuclear Physics Early Career Award; Office of Energy Research, Office of High Energy and Nuclear Physics, Divisions of Nuclear Physics, of the US Department of Energy [DE-AC02-05CH11231]; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX We would like to thank Maria Drout, Alex Heger, Mansi Kasliwal, Ehud Nakar, Christian Ott, Tony Piro, Dovi Poznanski, Josh Shiode, Alicia Soderberg and Eliot Quataert for useful discussion. This work was supported by an NSF Astronomy and Astrophysics Grant (AST-1109896) and by an NSF Division of Astronomical Sciences collaborative research grant AST-1206097. IK is supported by the Department of Energy National Nuclear Security Administration Stewardship Science Graduate Fellowship. DK is supported in part by a Department of Energy Office of Nuclear Physics Early Career Award and by the Director, Office of Energy Research, Office of High Energy and Nuclear Physics, Divisions of Nuclear Physics, of the US Department of Energy under Contract no. DE-AC02-05CH11231. We are grateful for computing time made available by the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US Department of Energy under Contract no. DE-AC02-05CH11231. NR 49 TC 14 Z9 14 U1 0 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD FEB PY 2014 VL 438 IS 1 BP 318 EP 328 DI 10.1093/mnras/stt2191 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 300IH UT WOS:000330457100043 ER PT J AU Waltman, MJ Yang, ZK Langan, P Graham, DE Kovalevsky, A AF Waltman, Mary Jo Yang, Zamin Koo Langan, Paul Graham, David E. Kovalevsky, Andrey TI Engineering acidic Streptomyces rubiginosus d-xylose isomerase by rational enzyme design SO PROTEIN ENGINEERING DESIGN & SELECTION LA English DT Article DE d-xylose isomerase; enzyme kinetics; protein engineering; rational design; site-directed mutagenesis ID SITE-DIRECTED MUTAGENESIS; MEDIATED HYDRIDE SHIFT; SACCHAROMYCES-CEREVISIAE; GLUCOSE-ISOMERASE; ACTINOPLANES-MISSOURIENSIS; SIMULTANEOUS ISOMERIZATION; ETHANOLIC FERMENTATION; NEUTRON-DIFFRACTION; BINDING-SITE; D-XYLULOSE AB To maximize bioethanol production from lignocellulosic biomass, all sugars must be utilized. Yeast fermentation can be improved by introducing the d-xylose isomerase enzyme to convert the pentose sugar d-xylose, which cannot be fermented by Saccharomyces cerevisiae, into the fermentable ketose d-xylulose. The low activity of d-xylose isomerase, especially at the low pH required for optimal fermentation, limits its use. A rational enzyme engineering approach was undertaken, and seven amino acid positions were replaced to improve the activity of Streptomyces rubiginosus d-xylose isomerase towards its physiological substrate at pH values below 6. The active-site design was guided by mechanistic insights and the knowledge of amino acid protonation states at low pH obtained from previous joint X-ray/neutron crystallographic experiments. Tagging the enzyme with 6 or 12 histidine residues at the N-terminus resulted in a significant increase in the active-site affinity towards substrate at pH 5.8. Substituting an asparagine at position 215, which hydrogen bonded to the metal-bound Glu181 and Asp245, with an aspartate gave a variant with almost an order of magnitude lower K-M than measured for the native enzyme, with a 4-fold increase in activity. Other studied variants showed similar (Asp57Asn, Glu186Gln/Asn215Asp), lower (Asp57His, Asn247Asp, Lys289His, Lys289Glu) or no (Gln256Asp, Asp287Asn, Asp287) activity in acidic conditions relative to the native enzyme. C1 [Waltman, Mary Jo] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Yang, Zamin Koo; Graham, David E.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 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 Graham, David/F-8578-2010; Langan, Paul/N-5237-2015; OI Graham, David/0000-0001-8968-7344; Langan, Paul/0000-0002-0247-3122; Kovalevsky, Andrey/0000-0003-4459-9142 FU Biological and Environmental Research (BER) Program in the United States Department of Energy (DOE) Office of Science; Basic Energy Sciences (BES) Program in the United States Department of Energy (DOE) Office of Science; DOE-BER grant; U.S. Department of Energy [DE-AC05-00OR22725] FX This work was supported by the Biological and Environmental Research (BER) and Basic Energy Sciences (BES) Programs in the United States Department of Energy (DOE) Office of Science. M.J.W. was partly supported by a DOE-BER grant to the neutron Protein Crystallography Station at LANSCE. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 47 TC 3 Z9 3 U1 2 U2 23 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1741-0126 EI 1741-0134 J9 PROTEIN ENG DES SEL JI Protein Eng. Des. Sel. PD FEB PY 2014 VL 27 IS 2 BP 59 EP 64 DI 10.1093/protein/gzt062 PG 6 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 300FM UT WOS:000330449800004 PM 24402330 ER PT J AU Padilla-Crespo, E Yan, J Swift, C Wagner, DD Chourey, K Hettich, RL Ritalahti, KM Loffler, FE AF Padilla-Crespo, Elizabeth Yan, Jun Swift, Cynthia Wagner, Darlene D. Chourey, Karuna Hettich, Robert L. Ritalahti, Kirsti M. Loeffler, Frank E. TI Identification and Environmental Distribution of dcpA, Which Encodes the Reductive Dehalogenase Catalyzing the Dichloroelimination of 1,2-Dichloropropane to Propene in Organohalide-Respiring Chloroflexi SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID REAL-TIME PCR; DEHALOCOCCOIDES SP STRAIN; VINYL-CHLORIDE REDUCTASE; 16S RIBOSOMAL-RNA; ENRICHMENT CULTURE; CONTAMINATED GROUNDWATER; ESCHERICHIA-COLI; SP NOV.; GENES; TETRACHLOROETHENE AB Dehalococcoides mccartyi strains KS and RC grow with 1,2-dichloropropane (1,2-D) as an electron acceptor in enrichment cultures derived from hydrocarbon-contaminated and pristine river sediments, respectively. Transcription, expression, enzymatic, and PCR analyses implicated the reductive dehalogenase gene dcpA in 1,2-D dichloroelimination to propene and inorganic chloride. Quantitative real-time PCR (qPCR) analyses demonstrated a D. mccartyi cell increase during growth with 1,2-D and suggested that both D. mccartyi strains carried a single dcpA gene copy per genome. D. mccartyi strain RC and strain KS produced 1.8 x 10(7) +/- 0.1 x 10(7) and 1.4 x 10(7) +/- 0.5 x 10(7) cells per mu mol of propene formed, respectively. The dcpA gene was identified in 1,2-D-to-propene-dechlorinating microcosms established with sediment samples collected from different geographical locations in Europe and North and South America. Clone library analysis revealed two distinct dcpA phylogenetic clusters, both of which were captured by the dcpA gene-targeted qPCR assay, suggesting that the qPCR assay is useful for site assessment and bioremediation monitoring at 1,2-D-contaminated sites. C1 [Padilla-Crespo, Elizabeth; Yan, Jun; Swift, Cynthia; Ritalahti, Kirsti M.; Loeffler, Frank E.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [Padilla-Crespo, Elizabeth; Yan, Jun; Swift, Cynthia; Ritalahti, Kirsti M.; Loeffler, Frank E.] Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37932 USA. [Padilla-Crespo, Elizabeth; Yan, Jun; Swift, Cynthia; Ritalahti, Kirsti M.; Loeffler, Frank E.] Univ Tennessee, Oak Ridge, TN USA. [Padilla-Crespo, Elizabeth; Yan, Jun; Swift, Cynthia; Ritalahti, Kirsti M.; Loeffler, Frank E.] Oak Ridge Natl Lab, Oak Ridge Natl Lab UT ORNL Joint Inst Biol Sci JI, Oak Ridge, TN USA. [Padilla-Crespo, Elizabeth; Yan, Jun; Swift, Cynthia; Ritalahti, Kirsti M.; Loeffler, Frank E.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Wagner, Darlene D.] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. [Chourey, Karuna; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. [Loeffler, Frank E.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN USA. RP Loffler, FE (reprint author), Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. EM frank.loeffler@utk.edu RI Hettich, Robert/N-1458-2016; OI Hettich, Robert/0000-0001-7708-786X; , /0000-0002-9216-3813 FU Strategic Environmental Research and Development Program (SERDP); NSF IGERT fellowship [DGE 0114400]; NSF Graduate Research Fellowship FX This research was supported by the Strategic Environmental Research and Development Program (SERDP). E.P.-C. acknowledges support through an NSF IGERT fellowship (grant DGE 0114400) and has been a recipient of an NSF Graduate Research Fellowship. NR 61 TC 11 Z9 11 U1 4 U2 37 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD FEB PY 2014 VL 80 IS 3 BP 808 EP 818 DI 10.1128/AEM.02927-13 PG 11 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 291SF UT WOS:000329848900002 PM 24242248 ER PT J AU Porras-Alfaro, A Liu, KL Kuske, CR Xie, G AF Porras-Alfaro, Andrea Liu, Kuan-Liang Kuske, Cheryl R. Xie, Gary TI From Genus to Phylum: Large-Subunit and Internal Transcribed Spacer rRNA Operon Regions Show Similar Classification Accuracies Influenced by Database Composition SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID FUNGAL COMMUNITIES; MOLECULAR-IDENTIFICATION; SECONDARY STRUCTURE; SEQUENCE DATABASES; DNA-SEQUENCES; BACTERIAL; DIVERSITY; PHYLOGENY; TAXONOMY; ITS2 AB We compared the classification accuracy of two sections of the fungal internal transcribed spacer (ITS) region, individually and combined, and the 5' section (about 600 bp) of the large-subunit rRNA (LSU), using a naive Bayesian classifier and BLASTN. A hand-curated ITS-LSU training set of 1,091 sequences and a larger training set of 8,967 ITS region sequences were used. Of the factors evaluated, database composition and quality had the largest effect on classification accuracy, followed by fragment size and use of a bootstrap cutoff to improve classification confidence. The naive Bayesian classifier and BLASTN gave similar results at higher taxonomic levels, but the classifier was faster and more accurate at the genus level when a bootstrap cutoff was used. All of the ITS and LSU sections performed well (> 97.7% accuracy) at higher taxonomic ranks from kingdom to family, and differences between them were small at the genus level (within 0.66 to 1.23%). When full-length sequence sections were used, the LSU outperformed the ITS1 and ITS2 fragments at the genus level, but the ITS1 and ITS2 showed higher accuracy when smaller fragment sizes of the same length and a 50% bootstrap cutoff were used. In a comparison using the larger ITS training set, ITS1 and ITS2 had very similar accuracy classification for fragments between 100 and 200 bp. Collectively, the results show that any of the ITS or LSU sections we tested provided comparable classification accuracy to the genus level and underscore the need for larger and more diverse classification training sets. C1 [Porras-Alfaro, Andrea] Western Illinois Univ, Dept Biol Sci, Macomb, IL 61455 USA. [Liu, Kuan-Liang] Natl Cheng Kung Univ, Inst Informat Management, Tainan 70101, Taiwan. [Liu, Kuan-Liang; Kuske, Cheryl R.; Xie, Gary] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. RP Porras-Alfaro, A (reprint author), Western Illinois Univ, Dept Biol Sci, Macomb, IL 61455 USA. EM a-porras-alfaro@wiu.edu OI xie, gary/0000-0002-9176-924X; Porras-Alfaro, Andrea/0000-0002-9053-7973 FU U.S. Department of Energy, Office of Biological and Environmental Research, through a Science Focus Area grant [2009LANLF260]; NSF [0919510]; Western Illinois University; National Science Council in Taiwan [NSC97-2917-I-006-111] FX This study was supported by the U.S. Department of Energy, Office of Biological and Environmental Research, through a Science Focus Area grant (2009LANLF260) (C.R.K., A.P.-A., and K.-L.L.). Additional support was provided by the NSF (grant 0919510) (A.P.-A.), Western Illinois University, and the National Science Council in Taiwan (NSC97-2917-I-006-111) (K.-L.L.). NR 53 TC 21 Z9 21 U1 1 U2 21 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD FEB PY 2014 VL 80 IS 3 BP 829 EP 840 DI 10.1128/AEM.02894-13 PG 12 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 291SF UT WOS:000329848900004 PM 24242255 ER PT J AU Keller, KL Rapp-Giles, BJ Semkiw, ES Porat, I Brown, SD Wall, JD AF Keller, Kimberly L. Rapp-Giles, Barbara J. Semkiw, Elizabeth S. Porat, Iris Brown, Steven D. Wall, Judy D. TI New Model for Electron Flow for Sulfate Reduction in Desulfovibrio alaskensis G20 SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SHEWANELLA-ONEIDENSIS MR-1; REDUCING BACTERIA; VULGARIS HILDENBOROUGH; DESULFURICANS G20; MASS-SPECTROMETRY; GENOME SEQUENCE; ACCURATE MASS; COMPLEX; PROTEIN; RESPIRATION AB To understand the energy conversion activities of the anaerobic sulfate-reducing bacteria, it is necessary to identify the components involved in electron flow. The importance of the abundant type I tetraheme cytochrome c(3) (TpIc(3)) as an electron carrier during sulfate respiration was questioned by the previous isolation of a null mutation in the gene encoding TpIc(3), cycA, in Desulfovibrio alaskensis G20. Whereas respiratory growth of the CycA mutant with lactate and sulfate was little affected, growth with pyruvate and sulfate was significantly impaired. We have explored the phenotype of the CycA mutant through physiological tests and transcriptomic and proteomic analyses. Data reported here show that electrons from pyruvate oxidation do not reach adenylyl sulfate reductase, the enzyme catalyzing the first redox reaction during sulfate reduction, in the absence of either CycA or the type I cytochrome c(3): menaquinone oxidoreductase transmembrane complex, QrcABCD. In contrast to the wild type, the CycA and QrcA mutants did not grow with H-2 or formate and sulfate as the electron acceptor. Transcriptomic and proteomic analyses of the CycA mutant showed that transcripts and enzymes for the pathway from pyruvate to succinate were strongly decreased in the CycA mutant regardless of the growth mode. Neither the CycA nor the QrcA mutant grew on fumarate alone, consistent with the omics results and a redox regulation of gene expression. We conclude that TpIc(3) and the Qrc complex are D. alaskensis components essential for the transfer of electrons released in the periplasm to reach the cytoplasmic adenylyl sulfate reductase and present a model that may explain the CycA phenotype through confurcation of electrons. C1 [Keller, Kimberly L.; Rapp-Giles, Barbara J.; Semkiw, Elizabeth S.; Wall, Judy D.] Univ Missouri, Columbia, MO 65211 USA. [Keller, Kimberly L.; Semkiw, Elizabeth S.; Brown, Steven D.; Wall, Judy D.] ENIGMA, Berkeley, CA USA. [Porat, Iris; Brown, Steven D.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Wall, JD (reprint author), Univ Missouri, Columbia, MO 65211 USA. EM wallj@missouri.edu RI Brown, Steven/A-6792-2011 OI Brown, Steven/0000-0002-9281-3898 FU U.S. Department of Energy (DOE) Office of Basic Energy Sciences [DE-FG02-87ER13713]; Office of Biological and Environmental Research (BER) program on BioHydrogen Production and BioEthanol grant [DE-FG02-083464691]; DOE BER at the Oak Ridge National Laboratory [DE-FG02-083464691]; University of Tennessee-Battelle LLC for the DOE [DE-AC05-00OR22725]; ENIGMA, Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy's Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory FX This work was supported by U.S. Department of Energy (DOE) Office of Basic Energy Sciences grants DE-FG02-87ER13713 (to B.J.R.-G. and J.D.W.) and the Office of Biological and Environmental Research (BER) program on BioHydrogen Production and BioEthanol grant DE-FG02-083464691 (to K.L.K., B.J.R.-G., and J.D.W.). S.D.B. and I.P. were supported by DOE BER through DE-FG02-083464691 at the Oak Ridge National Laboratory, managed by the University of Tennessee-Battelle LLC for the DOE under contract DE-AC05-00OR22725. K.L. K., E.S S., S.D.B., and J.D.W. are participants in ENIGMA, Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy under contract DE-AC02-05CH11231. The proteomic portion of this 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 the Pacific Northwest National Laboratory. NR 53 TC 17 Z9 18 U1 2 U2 39 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD FEB PY 2014 VL 80 IS 3 BP 855 EP 868 DI 10.1128/AEM.02963-13 PG 14 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 291SF UT WOS:000329848900007 PM 24242254 ER PT J AU Arienti, M Sussman, M AF Arienti, M. Sussman, M. TI An embedded level set method for sharp-interface multiphase simulations of Diesel injectors SO INTERNATIONAL JOURNAL OF MULTIPHASE FLOW LA English DT Article DE Injector geometry; Primary atomization; Cartesian block-structured; Contact angle ID CARTESIAN GRID METHOD; 2-PHASE FLOWS; FORMULATION AB We propose a comprehensive approach for treating complex wall boundaries in two-phase, free-surface flow simulations on a Cartesian adaptive grid. The external gas-liquid interface is handled by the well-known combined level-set volume-of-fluid (CLSVOF) method. The new element is the coupling with the wall boundary representation using a second level-set function. The no-slip boundary condition at the walls is enforced by properly populating the ghost cells of a narrow band inside the solid body, using a simple and numerically robust treatment of the contact line. In this framework, merging and separation of multiple solid bodies are easily accommodated. Verification tests with grid convergence analysis are presented for a stationary/oscillating body in single-phase flow and for a drop on an inclined plane. Two examples demonstrate the suitability of the proposed approach to study liquid injection. The first is a validation study with data from a scaled-up Diesel injector, to demonstrate how the seamless calculation of internal flow and jet primary atomization can be accomplished. The second is a demonstration of transient atomization response to a measured three-dimensional needle displacement of the injector. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Arienti, M.] Sandia Natl Labs, Livermore, CA 94550 USA. [Sussman, M.] Florida State Univ, Tallahassee, FL 32306 USA. RP Arienti, M (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM marient@sandia.gov; sussman@math.fsu.edu FU Sandia National Laboratories' Early-Career LDRD (Laboratory Directed Research and Development) FX Support by Sandia National Laboratories' Early-Career LDRD (Laboratory Directed Research and Development) is gratefully acknowledged. 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. A particular thanks to Sarah Scott (Sandia) for her relentless effort at generating the injector geometries. NR 33 TC 12 Z9 12 U1 0 U2 19 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0301-9322 EI 1879-3533 J9 INT J MULTIPHAS FLOW JI Int. J. Multiph. Flow PD FEB PY 2014 VL 59 BP 1 EP 14 DI 10.1016/j.ijmultiphaseflow.2013.10.005 PG 14 WC Mechanics SC Mechanics GA 296AB UT WOS:000330156400001 ER PT J AU Halls, BR Heindel, TJ Kastengren, AL Meyer, TR AF Halls, Benjamin R. Heindel, Theodore J. Kastengren, Alan L. Meyer, Terrence R. TI Evaluation of X-ray sources for quantitative two- and three-dimensional imaging of liquid mass distribution in atomizing sprays SO INTERNATIONAL JOURNAL OF MULTIPHASE FLOW LA English DT Article DE Impinging-jet injector; Liquid mass distribution; Spray imaging; Synchrotron radiation; X-ray computed tomography; X-ray radiography ID FUEL SPRAYS; RADIOGRAPHY; SYSTEM; FLOWS; LIGHT; CORE; JET AB Quantitative measurement of liquid mass distribution is demonstrated in an impinging-jet atomizing spray using a broadband, similar to 80 keV X-ray tube source for 2-D radiography and 3-D computed tomography (CT). The accuracy, precision, and sensitivity of these data are evaluated using narrowband, similar to 10 keV, synchrotron radiation from the Argonne National Laboratory Advanced Photon Source (APS) at the same flow conditions. It is found that the broadband X-ray tube source can be used for 2-D measurement of the equivalent path length (EPL) and 3-D CT imaging of liquid mass distribution with typical error of 5-10%. Data are compared for cases with and without the use of potassium iodide (KI), which at 15% concentration by mass increases the attenuation coefficient eightfold and enables 2-D and 3-D measurement of EPL with a signal-to-noise ratio (SNR) of 5:1 down to 15 mu m. At this concentration, the effects of energy-dependent attenuation (i.e., spectral beam hardening) are negligible for EPL up to 5 mm. Hence, the use of broadband X-ray tube sources is feasible for many practical engineering sprays with a dynamic range in EPL of similar to 330:1. The advantages and limitations of using broadband and narrowband X-ray sources are discussed, and recommendations for improving performance are presented. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Halls, Benjamin R.; Heindel, Theodore J.; Meyer, Terrence R.] Iowa State Univ, Dept Mech Engn, Ames, IA 50011 USA. [Kastengren, Alan L.] Argonne Natl Lab, X Ray Sci Div, Argonne, IL 60439 USA. RP Meyer, TR (reprint author), Iowa State Univ, Dept Mech Engn, 2030 Black Engn Bldg, Ames, IA 50011 USA. EM trm@iastate.edu OI Heindel, Theodore/0000-0002-8142-9938 FU Army Research Office; U.S. Department of Energy [DE-AC02-06CH11357]; National Science Foundation [CTS-0216367]; Iowa State University FX This work was funded, in part, by the Army Research Office (Dr. Ralph Anthenien, Program Manager). A portion of this research was performed at the 7BM beamline of the Advanced Photon Source, Argonne National Laboratory. The use of the APS is supported by the U.S. Department of Energy under Contract No. DE-AC02-06CH11357. The ISU X-ray Flow Visualization Facility was developed with support from the National Science Foundation, under Grant No. CTS-0216367, and Iowa State University. The authors express their gratitude to C. Radke, M. Johnson, K. Weiser, E. Kadic, N. Keller, and T. Morgan of Iowa State University for their technical assistance. NR 37 TC 9 Z9 9 U1 1 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0301-9322 EI 1879-3533 J9 INT J MULTIPHAS FLOW JI Int. J. Multiph. Flow PD FEB PY 2014 VL 59 BP 113 EP 120 DI 10.1016/j.ijmultiphaseflow.201.3.10.017 PG 8 WC Mechanics SC Mechanics GA 296AB UT WOS:000330156400010 ER PT J AU Sangwan, N Verma, H Kumar, R Negi, V Lax, S Khurana, P Khurana, JP Gilbert, JA Lal, R AF Sangwan, Naseer Verma, Helianthous Kumar, Roshan Negi, Vivek Lax, Simon Khurana, Paramjit Khurana, Jitendra P. Gilbert, Jack A. Lal, Rup TI Reconstructing an ancestral genotype of two hexachlorocyclohexane-degrading Sphingobium species using metagenomic sequence data SO ISME JOURNAL LA English DT Article DE hexachlorocyclohexane; metagenome; pan-genome; last-common ancestor ID COMPLETE GENOME SEQUENCE; GAMMA-HEXACHLOROCYCLOHEXANE; SPHINGOMONAS-PAUCIMOBILIS; LIN GENES; BETA-HEXACHLOROCYCLOHEXANE; MAXIMUM-LIKELIHOOD; JAPONICUM UT26; DNA-SEQUENCES; INDICUM B90A; BACTERIUM AB Over the last 60 years, the use of hexachlorocyclohexane (HCH) as a pesticide has resulted in the production of >4 million tons of HCH waste, which has been dumped in open sinks across the globe. Here, the combination of the genomes of two genetic subspecies (Sphingobium japonicum UT26 and Sphingobium indicum B90A; isolated from two discrete geographical locations, Japan and India, respectively) capable of degrading HCH, with metagenomic data from an HCH dumpsite (similar to 450mg HCH per g soil), enabled the reconstruction and validation of the last-common ancestor (LCA) genotype. Mapping the LCA genotype (3128 genes) to the subspecies genomes demonstrated that >420% of the genes in each subspecies were absent in the LCA. This includes two enzymes from the 'upper' HCH degradation pathway, suggesting that the ancestor was unable to degrade HCH isomers, but descendants acquired lin genes by transposon-mediated lateral gene transfer. In addition, anthranilate and homogentisate degradation traits were found to be strain (selectively retained only by UT26) and environment (absent in the LCA and subspecies, but prevalent in the metagenome) specific, respectively. One draft secondary chromosome, two near complete plasmids and eight complete lin transposons were assembled from the metagenomic DNA. Collectively, these results reinforce the elastic nature of the genus Sphingobium, and describe the evolutionary acquisition mechanism of a xenobiotic degradation phenotype in response to environmental pollution. This also demonstrates for the first time the use of metagenomic data in ancestral genotype reconstruction, highlighting its potential to provide significant insight into the development of such phenotypes. C1 [Sangwan, Naseer; Verma, Helianthous; Kumar, Roshan; Negi, Vivek; Lal, Rup] Univ Delhi, Dept Zool, Delhi 110007, India. [Lax, Simon; Gilbert, Jack A.] Argonne Natl Lab, Argonne, IL 60439 USA. [Lax, Simon; Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Khurana, Paramjit; Khurana, Jitendra P.] Univ Delhi, Dept Plant Mol Biol, New Delhi, India. [Khurana, Paramjit; Khurana, Jitendra P.] Univ Delhi, Interdisciplinary Ctr Plant Genom, New Delhi, India. RP Lal, R (reprint author), Univ Delhi, Dept Zool, Delhi 110007, India. EM ruplal@gmail.com FU University of Delhi/Department of Science and Technology; Department of Biotechnology (DBT), Government of India [BT/PR3301/BCE/8/875/11]; National Bureau of Agriculturally Important Microorganisms (NBAIM) [AMASS/2006-07/NBAIM/CIR]; Council for Scientific and Industrial Research (CSIR); National Bureau of Agriculturally Important Microorganisms (NBAIM); US Department of Energy [DE-AC02-06CH11357]; Alexander von Humboldt Fellowship (at the University of Freiburg, Germany) FX The work was supported by Grants from the University of Delhi/Department of Science and Technology Promotion of University Research and Scientific Excellence (PURSE)DU-DST-PURSE GRANT Department of Biotechnology (DBT), Government of India under project BT/PR3301/BCE/8/875/11, National Bureau of Agriculturally Important Microorganisms (NBAIM) AMASS/2006-07/NBAIM/CIR. NS, VN, HV and RK gratefully acknowledge Council for Scientific and Industrial Research (CSIR) and National Bureau of Agriculturally Important Microorganisms (NBAIM) for providing research fellowships. This work was also supported in part by the US Department of Energy under Contract DE-AC02-06CH11357. NS. We thank Konstantinos T Konstantinidis of School of Civil and Environmental Engineering and School of Biology, Georgia Institute of Technology, Atlanta, USA for his invaluable discussions and reading the manuscript. This paper was revised during a renewed visit under an Alexander von Humboldt Fellowship (at the University of Freiburg, Germany) awarded to RL. NR 60 TC 9 Z9 9 U1 0 U2 28 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD FEB PY 2014 VL 8 IS 2 BP 398 EP 408 DI 10.1038/ismej.2013.153 PG 11 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 299HJ UT WOS:000330386500013 PM 24030592 ER PT J AU Yang, YF Gao, Y Wang, SP Xu, DP Yu, H Wu, LW Lin, QY Hu, YG Li, XZ He, ZL Deng, Y Zhou, JZ AF Yang, Yunfeng Gao, Ying Wang, Shiping Xu, Depeng Yu, Hao Wu, Linwei Lin, Qiaoyan Hu, Yigang Li, Xiangzhen He, Zhili Deng, Ye Zhou, Jizhong TI The microbial gene diversity along an elevation gradient of the Tibetan grassland SO ISME JOURNAL LA English DT Article DE gene diversity; soil microbial community; community metabolism; alpine grassland; elevation gradient ID ECOSYSTEM CO2 EXCHANGE; GEOCHIP-BASED ANALYSIS; ALPINE MEADOW; BACTERIAL COMMUNITIES; SOIL-MOISTURE; PLATEAU; SEA; PATTERNS; NITROGEN; DESERT AB Tibet is one of the most threatened regions by climate warming, thus understanding how its microbial communities function may be of high importance for predicting microbial responses to climate changes. Here, we report a study to profile soil microbial structural genes, which infers functional roles of microbial communities, along four sites/elevations of a Tibetan mountainous grassland, aiming to explore the potential microbial responses to climate changes via a strategy of space-for-time substitution. Using a microarray-based metagenomics tool named GeoChip 4.0, we showed that microbial communities were distinct for most but not all of the sites. Substantial variations were apparent in stress, N and C-cycling genes, but they were in line with the functional roles of these genes. Cold shock genes were more abundant at higher elevations. Also, gdh converting ammonium into urea was more abundant at higher elevations, whereas ureC converting urea into ammonium was less abundant, which was consistent with soil ammonium contents. Significant correlations were observed between N-cycling genes (ureC, gdh and amoA) and nitrous oxide flux, suggesting that they contributed to community metabolism. Lastly, we found by Canonical correspondence analysis, Mantel tests and the similarity tests that soil pH, temperature, NH4+-N and vegetation diversity accounted for the majority (81.4%) of microbial community variations, suggesting that these four attributes were major factors affecting soil microbial communities. On the basis of these observations, we predict that climate changes in the Tibetan grasslands are very likely to change soil microbial community functional structure, with particular impacts on microbial N-cycling genes and consequently microbe-mediated soil N dynamics. C1 [Yang, Yunfeng; Gao, Ying; Xu, Depeng; Wu, Linwei; Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Wang, Shiping] Chinese Acad Sci, Inst Tibetan Plateau Res, Lab Alpine Ecol & Biodivers, Beijing, Peoples R China. [Yu, Hao; He, Zhili; Deng, Ye; Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. [Lin, Qiaoyan; Hu, Yigang] Chinese Acad Sci, Northwest Inst Plateau Biol, Key Lab Adapt & Evolut Plateau Biota, Xining, Peoples R China. [Hu, Yigang] Chinese Acad Sci, Cold & Arid Reg & Environm & Engn Res Inst, Shapotou Desert Expt & Res Stn, Lanzhou, Peoples R China. [Li, Xiangzhen] Chinese Acad Sci, Chengdu Inst Biol, Chengdu, Peoples R China. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Yang, YF (reprint author), Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, 1 Tsinghua Garden Rd, Beijing 100084, Peoples R China. EM yangyf@tsinghua.edu.cn RI Yang, Yunfeng/H-9853-2013; OI Yang, Yunfeng/0000-0001-8274-6196; ?, ?/0000-0002-7584-0632 FU National Science Foundation of China [41171201]; National High Technology Research and Development Program of China [2012AA061401]; National Basic Research Program [2010CB833502]; United States Department of Energy, Biological Systems Research on the Role of Microbial Communities in C Cycling Program [DE-SC0004601]; Oklahoma Bioenergy Center (OBC); ENIGMA-Ecosystems and Networks Integrated with Genes and Molecular Assemblies through the Office of Science, Office of Biological and Environmental Research, of the US Department of Energy [DE-AC02-05CH11231]; United States Department of Agriculture through NSF-USDA Microbial Observatories Program [2007-35319-18305] FX We thank Haibei Research Station staff for sampling assistance, Madelyn Ball for manuscript editing and the anonymous reviewers and the editor for constructive comments and suggestion to make this manuscript greatly improved. This research was supported by grants to Yunfeng Yang from National Science Foundation of China (41171201) and National High Technology Research and Development Program of China (2012AA061401). To Shiping Wang from the National Basic Research Program (2010CB833502), to Jizhong Zhou from the United States Department of Energy, Biological Systems Research on the Role of Microbial Communities in C Cycling Program (DE-SC0004601) and Oklahoma Bioenergy Center (OBC). The GeoChips and associated computational pipelines used in this study were supported by ENIGMA-Ecosystems and Networks Integrated with Genes and Molecular Assemblies through the Office of Science, Office of Biological and Environmental Research, of the US Department of Energy under Contract No. DE-AC02-05CH11231 and by the United States Department of Agriculture (Project 2007-35319-18305) through NSF-USDA Microbial Observatories Program. NR 51 TC 36 Z9 42 U1 31 U2 242 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD FEB PY 2014 VL 8 IS 2 BP 430 EP 440 DI 10.1038/ismej.2013.146 PG 11 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 299HJ UT WOS:000330386500016 PM 23985745 ER PT J AU Oltmanns, M Straneo, F Moore, GWK Mernild, SH AF Oltmanns, M. Straneo, F. Moore, G. W. K. Mernild, S. H. TI Strong Downslope Wind Events in Ammassalik, Southeast Greenland SO JOURNAL OF CLIMATE LA English DT Article DE Downslope winds; Synoptic climatology; Katabatic winds; Air-sea interaction ID TERRA-NOVA BAY; KATABATIC FLOW; IRMINGER SEA; TIP JET; THERMOHALINE CIRCULATION; BOUNDARY-LAYER; MOUNTAIN WAVES; BARRIER WINDS; CAPE-FAREWELL; ICE-SHEET AB Ammassalik in southeast Greenland is known for strong wind events that can reach hurricane intensity and cause severe destruction in the local town. Yet, these winds and their impact on the nearby fjord and shelf region have not been studied in detail.Here, data from two meteorological stations and the European Centre for Medium-Range Weather Forecasts Interim Re-Analysis (ERA-Interim) are used to identify and characterize these strong downslope wind events, which are especially pronounced at a major east Greenland fjord, Sermilik Fjord, within Ammassalik. Their local and regional characteristics, their dynamics and their impacts on the regional sea ice cover, and air-sea fluxes are described. Based on a composite of the events it is concluded that wind events last for approximately a day, and seven to eight events occur each winter. Downslope wind events are associated with a deep synoptic-scale cyclone between Iceland and Greenland. During the events, cold dry air is advected down the ice sheet. The downslope flow is accelerated by gravitational acceleration, flow convergence inside the Ammassalik valley, and near the coast by an additional thermal and synoptic-scale pressure gradient acceleration. Wind events are associated with a large buoyancy loss over the Irminger Sea, and it is estimated that they drive one-fifth of the net wintertime loss. Also, the extreme winds drive sea ice out of the fjord and away from the shelf. C1 [Oltmanns, M.; Straneo, F.] Woods Hole Oceanog Inst, Woods Hole, MA 02543 USA. [Moore, G. W. K.] Univ Toronto, Toronto, ON, Canada. [Mernild, S. H.] Los Alamos Natl Lab, Los Alamos, NM USA. [Mernild, S. H.] Ctr Estudios Cient, Validiva, Chile. RP Oltmanns, M (reprint author), Woods Hole Oceanog Inst, 266 Woods Hole Rd, Woods Hole, MA 02543 USA. EM marilena@mit.edu OI Straneo, Fiammetta/0000-0002-1735-2366 FU National Science Foundation [OCE-0751554, OCE-1130008]; Natural Sciences and Engineering Research Council of Canada; NASA Ocean Vector Winds Science Team FX This study was supported by grants of the National Science Foundation (OCE-0751554 and OCE-1130008) as well as the Natural Sciences and Engineering Research Council of Canada. We thank the DMI and the University of Copenhagen for providing the data from their meteorological stations, ECMWF for providing the reanalysis data, the NSIDC for providing the AMSR-E data, and the University of Hamburg for processing the sea ice concentration data for improving the resolution. QuikSCAT data are produced by Remote Sensing Systems and sponsored by the NASA Ocean Vector Winds Science Team. We also thank three anonymous reviewers who have considerably improved the manuscript. NR 72 TC 18 Z9 18 U1 2 U2 21 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD FEB PY 2014 VL 27 IS 3 BP 977 EP 993 DI 10.1175/JCLI-D-13-00067.1 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 294YY UT WOS:000330085000001 ER PT J AU Lin, RP Zhou, TJ Qian, Y AF Lin, Renping Zhou, Tianjun Qian, Yun TI Evaluation of Global Monsoon Precipitation Changes based on Five Reanalysis Datasets SO JOURNAL OF CLIMATE LA English DT Article DE Monsoons; Precipitation; Water budget; General circulation models; Reanalysis data; Interannual variability ID ATMOSPHERIC MOISTURE BUDGET; ASIAN SUMMER MONSOON; GAUGE OBSERVATIONS; NCEP-NCAR; GPCP; PROJECT; VARIABILITY; CIRCULATION; RAINFALL; CHINA AB With the motivation to identify whether a reasonably simulated atmospheric circulation would necessarily lead to a successful reproduction of monsoon precipitation, the performances of five sets of reanalysis data [NCEP-U.S. Department of Energy (DOE) Atmospheric Model Intercomparison Project II (AMIP-II) reanalysis (NCEP-2), 40-yr ECMWF Re-Analysis (ERA-40), Japanese 25-yr Reanalysis Project (JRA-25), Interim ECMWF Re-Analysis (ERA-Interim), and Modern-Era Retrospective Analysis for Research and Applications (MERRA)] in reproducing the climatology, interannual variation, and long-term trend of global monsoon (GM) precipitation are comprehensively evaluated. To better understand the variability and long-term trend of GM precipitation, the authors also examined the major components of water budget, including evaporation, water vapor convergence, and the change in local column water vapor, based on the five reanalysis datasets. Results show that all five reanalysis datasets reasonably reproduce the climatology of GM precipitation. ERA-Interim (NCEP-2) shows the highest (lowest) skill among the five datasets. The observed GM precipitation shows an increasing tendency during 1979-2011 along with a strong interannual variability, which is reasonably reproduced by five reanalysis datasets. The observed increasing trend of GM precipitation is dominated by contributions from the Asian, North American, Southern African, and Australian monsoons. All five datasets fail in reproducing the increasing tendency of the North African monsoon precipitation. The wind convergence term in the water budget equation dominates the GM precipitation variation, indicating a consistency between the GM precipitation and the seasonal change of prevailing wind. C1 [Lin, Renping; Zhou, Tianjun] Chinese Acad Sci, Inst Atmospher Phys, State Key Lab Numer Modeling Atmospher Sci & Geop, Beijing 100029, Peoples R China. [Lin, Renping] Univ Chinese Acad Sci, Beijing, Peoples R China. [Zhou, Tianjun] Chinese Acad Sci, Climate Change Res Ctr, Beijing 100029, Peoples R China. [Qian, Yun] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Zhou, TJ (reprint author), Chinese Acad Sci, Inst Atmospher Phys, State Key Lab Numer Modeling Atmospher Sci & Geop, Beijing 100029, Peoples R China. EM zhoutj@lasg.iap.ac.cn RI qian, yun/E-1845-2011; renping, lin/B-8432-2017; ZHOU, Tianjun/C-3195-2012 OI renping, lin/0000-0003-2050-9413; ZHOU, Tianjun/0000-0002-5829-7279 FU National Program on Key Basic Research Project [2010CB951904]; National Natural Science Foundation of China [41125017, 41330423]; Office of Science of the U.S. Department of Energy; DOE [DE-AC06-76RLO 1830] FX This work was supported by the National Program on Key Basic Research Project (2010CB951904) and the National Natural Science Foundation of China under Grants 41125017 and 41330423. The contribution of Yun Qian in this study was supported by the Office of Science of the U.S. Department of Energy as part of the Earth System Modeling Program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under Contract DE-AC06-76RLO 1830. NR 42 TC 32 Z9 35 U1 4 U2 43 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD FEB PY 2014 VL 27 IS 3 BP 1271 EP 1289 DI 10.1175/JCLI-D-13-00215.1 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 294YY UT WOS:000330085000018 ER PT J AU Mohanta, A Simmons, JG Everitt, HO Shen, G Kim, SM Kung, P AF Mohanta, Antaryami Simmons, Jay G., Jr. Everitt, Henry O. Shen, Gang Kim, Seongsin Margaret Kung, Patrick TI Effect of pressure and Al doping on structural and optical properties of ZnO nanowires synthesized by chemical vapor deposition SO JOURNAL OF LUMINESCENCE LA English DT Article DE ZnO nanowires; Chemical vapor deposition; Photoluminescence; n-Type doping; Oxygen vacancies; Energy transfer process ID PHOTOLUMINESCENCE; FILMS; LUMINESCENCE; TEMPERATURE; NANORODS; EMISSION; GROWTH; ORIGIN AB The effect of Al doping concentration and oxygen ambient pressure on the structural and optical properties of chemical vapor deposition-grown, Al-doped ZnO nanowires is studied. As Al doping increases, the strength of the broad visible emission band decreases and the UV emission increases, but the growth rate depends on the oxygen pressure in a complex manner. Together, these behaviors suggest that Al doping is effective in reducing the number of oxygen vacancies responsible for visible emission, especially at low oxygen ambient pressure. The intensities and quantum efficiencies of these emission mechanisms are discussed in terms of the effect growth and doping conditions have on the underlying excitonic decay mechanisms. (C) 2013 Elsevier B.V. All rights reserved. C1 [Mohanta, Antaryami] US Army Aviat & Missile Res Dev & Engn Ctr AMRDEC, Res Participat Program, Oak Ridge Inst Sci & Educ, Redstone Arsenal, AL 35898 USA. [Simmons, Jay G., Jr.] Duke Univ, Dept Chem, Durham, NC 27708 USA. [Everitt, Henry O.] US Army Aviat & Missile Res Dev & Engn Ctr AMRDEC, Redstone Arsenal, AL 35898 USA. [Shen, Gang; Kim, Seongsin Margaret; Kung, Patrick] Univ Alabama, Dept Elect & Comp Engn, Tuscaloosa, AL 35487 USA. RP Kung, P (reprint author), Univ Alabama, Dept Elect & Comp Engn, Tuscaloosa, AL 35487 USA. EM patkung@eng.ua.edu RI Everitt, Henry/L-7118-2013 OI Everitt, Henry/0000-0002-8141-3768 FU Postgraduate Research Participation Program at the U.S. Army Aviation and Missile Research, Development and Engineering Center (AMRDEC); DoD SMART fellowship program; Alabama EPSCoR GRSP FX AM was supported in part by an appointment to the Postgraduate Research Participation Program at the U.S. Army Aviation and Missile Research, Development and Engineering Center (AMRDEC) administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and AMRDEC. JGS acknowledges support by the DoD SMART fellowship program. GS was partially supported by the Alabama EPSCoR GRSP. NR 28 TC 18 Z9 18 U1 1 U2 34 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 EI 1872-7883 J9 J LUMIN JI J. Lumines. PD FEB PY 2014 VL 146 BP 470 EP 474 DI 10.1016/j.jlumin.2013.10.028 PG 5 WC Optics SC Optics GA 295AS UT WOS:000330089600077 ER PT J AU Kubas, GJ AF Kubas, Gregory J. TI Activation of dihydrogen and coordination of molecular H-2 on transition metals SO JOURNAL OF ORGANOMETALLIC CHEMISTRY LA English DT Article DE Dihydrogen complex; Hydrogen activation; Sigma bond complex; Hydrogen storage; Biomimetic hydrogen production; Alkane complex ID H-H BOND; ORGANIC FRAMEWORKS; HYDROGEN-STORAGE; C-H; OXIDATIVE ADDITION; SOLID-STATE; SIGMA-BONDS; STEREOSELECTIVE FORMATION; ORGANOMETALLIC CHEMISTRY; ASYMMETRIC HYDROGENATION AB Fifty years ago, when this journal was founded, organometallic chemists could not have imagined that common small molecules such as dinitrogen and especially dihydrogen could function as ligands. Dihydrogen has long been vital in catalytic processes such as hydrogenation and conversions of organic compounds and is now being considered as a future energy storage medium. Dihydrogen is only useful chemically when the two strongly bound H atoms are split apart in a controlled fashion. Although metal hydrides were first well established in 1955, the structure and mechanism by which H-2 binds to and undergoes cleavage on transition metals was not ascertained until even more recently in the history of inorganometallic chemistry, about 20 years after this journal was first published. The activation of dihydrogen is a fascinating saga that has slowly unfolded over the past 80+ years, as will be chronicled in this Perspective. There is a marvelous analogy between the metal-olefin pi bonding model first brought to light by Dewar, Chatt, and Duncanson 60 years ago and the bonding model for side-on sigma-bond coordination discovered by us 30 years ago. There are two separate pathways for H-H (and X-H s-bond activation in general) that directly depend on the electronics of the metal sigma-ligand bonding. Metal d to sigma* X-H backdonation is the key to stabilizing s-bond coordination and also is crucial to its homolytic cleavage (oxidation addition). For electrophilic complexes, particularly cationic systems with minimal backdonation, heterolytic cleavage of H-2 is common and is a key reaction in industrial and biological catalysis. (C) 2013 Elsevier B. V. All rights reserved. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Kubas, GJ (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM gkubas1@comcast.net NR 180 TC 40 Z9 40 U1 10 U2 105 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0022-328X EI 1872-8561 J9 J ORGANOMET CHEM JI J. Organomet. Chem. PD FEB 1 PY 2014 VL 751 SI SI BP 33 EP 49 DI 10.1016/j.jorganchem.2013.07.041 PG 17 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 291XD UT WOS:000329864700005 ER PT J AU Mirocha, J Kosovic, B Kirkil, G AF Mirocha, Jeff Kosovic, Branko Kirkil, Gokhan TI Resolved Turbulence Characteristics in Large-Eddy Simulations Nested within Mesoscale Simulations Using the Weather Research and Forecasting Model SO MONTHLY WEATHER REVIEW LA English DT Article DE Model evaluation; performance; Numerical weather prediction; forecasting; Subgrid-scale processes ID BOUNDARY-LAYER-FLOW; WRF MODEL; IMPLEMENTATION AB One-way concurrent nesting within the Weather Research and Forecasting Model (WRF) is examined for conducting large-eddy simulations (LES) nested within mesoscale simulations. Wind speed, spectra, and resolved turbulent stresses and turbulence kinetic energy from the nested LES are compared with data from nonnested simulations using periodic lateral boundary conditions. Six different subfilter-scale (SFS) stress models are evaluated using two different nesting strategies under geostrophically forced flow over both flat and hilly terrain. Neutral and weakly convective conditions are examined. For neutral flow over flat terrain, turbulence appears on the nested LES domains only when using the two dynamic SFS stress models. The addition of small hills and valleys (wavelengths of 2.4 km and maximum slopes of +/- 10 degrees) yields small improvements, with all six models producing some turbulence on nested domains. Weak convection (surface heat fluxes of 10 W m(-2)) further accelerates the development of turbulence on all nested domains. However, considerable differences in key parameters are observed between the nested LES domains and their nonnested counterparts. Nesting of a finer LES within a coarser LES provides superior results to using only one nested LES domain. Adding temperature and velocity perturbations near the inlet planes of nested domains shows promise as an easy-to-implement method to accelerate turbulence generation and improve its accuracy on nested domains. C1 [Mirocha, Jeff; Kirkil, Gokhan] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Kosovic, Branko] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Mirocha, J (reprint author), Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, POB 808,L-103, Livermore, CA 94551 USA. EM mirocha2@llnl.gov RI Kirkil, Gokhan/D-8481-2014 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development program; U.S. DOE Office of Energy Efficiency and Renewable Energy FX We thank Tina Chow and Elie Bou-Zeid for many helpful discussions. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, and was supported by both the Laboratory Directed Research and Development program, and the U.S. DOE Office of Energy Efficiency and Renewable Energy. NR 29 TC 19 Z9 19 U1 2 U2 25 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0027-0644 EI 1520-0493 J9 MON WEATHER REV JI Mon. Weather Rev. PD FEB PY 2014 VL 142 IS 2 BP 806 EP 831 DI 10.1175/MWR-D-13-00064.1 PG 26 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 295EZ UT WOS:000330100700019 ER PT J AU Wang, J Deng, RR MacDonald, MA Chen, BL Yuan, JK Wang, F Chi, DZ Hor, TSA Zhang, P Liu, GK Han, Y Liu, X AF Wang, Juan Deng, Renren MacDonald, Mark A. Chen, Bolei Yuan, Jikang Wang, Feng Chi, Dongzhi Hor, Tzi Sum Andy Zhang, Peng Liu, Guokui Han, Yu Liu, Xiaogang TI Enhancing multiphoton upconversion through energy clustering at sublattice level SO NATURE MATERIALS LA English DT Article ID UPCONVERTING NANOPARTICLES; DIMENSIONAL SYSTEM; NANOCRYSTALS; PHOTOLUMINESCENCE; LUMINESCENCE; MIGRATION; MECHANISMS; EMISSION; CRYSTAL; IONS AB The applications of lanthanide-doped upconversion nanocrystals in biological imaging, photonics, photovoltaics and therapeutics have fuelled a growing demand for rational control over the emission profiles of the nanocrystals(1-14). A common strategy for tuning upconversion luminescence is to control the doping concentration of lanthanide ions(15,16). However, the phenomenon of concentration quenching of the excited state at high doping levels poses a significant constraint. Thus, the lanthanide ions have to be stringently kept at relatively low concentrations to minimize luminescence quenching(17). Here we describe a new class of upconversion nanocrystals adopting an orthorhombic crystallographic structure in which the lanthanide ions are distributed in arrays of tetrad clusters. Importantly, this unique arrangement enables the preservation of excitation energy within the sublattice domain and effectively minimizes the migration of excitation energy to defects, even in stoichiometric compounds with a high Yb3+ content (calculated as 98 mol%). This allows us to generate an unusual four-photon-promoted violet upconversion emission from Er3+ with an intensity that is more than eight times higher than previously reported. Our results highlight that the approach to enhancing upconversion through energy clustering at the sublattice level may provide new opportunities for light-triggered biological reactions and photodynamic therapy. C1 [Wang, Juan; Deng, Renren; Hor, Tzi Sum Andy; Liu, Xiaogang] Natl Univ Singapore, Dept Chem, Singapore 117543, Singapore. [MacDonald, Mark A.; Zhang, Peng] Dalhousie Univ, Dept Chem, Halifax, NS B3H 4J3, Canada. [Chen, Bolei; Yuan, Jikang] Hong Kong Polytech Univ, Dept Appl Phys, Kowloon, Hong Kong, Peoples R China. [Wang, Feng; Chi, Dongzhi; Hor, Tzi Sum Andy; Liu, Xiaogang] Agcy Sci Technol & Res, Inst Mat Res & Engn, Singapore 117602, Singapore. [Liu, Guokui] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Han, Yu] King Abdullah Univ Sci & Technol, Phys Sci & Engn Div, Adv Membrane & Porous Mat Ctr, Thuwal 239556900, Saudi Arabia. RP Liu, X (reprint author), Natl Univ Singapore, Dept Chem, Singapore 117543, Singapore. EM chmlx@nus.edu.sg RI Wang, Feng/E-2436-2013; Zhang, Peng/K-5174-2012; LIU, XIAOGANG/A-8038-2011; Han, Yu /N-2036-2015; Deng, Renren/E-3706-2016; Hor, Andy/G-2266-2012 OI Wang, Feng/0000-0001-9471-4386; Zhang, Peng/0000-0003-3603-0175; LIU, XIAOGANG/0000-0003-2517-5790; Han, Yu /0000-0003-1462-1118; Deng, Renren/0000-0001-8213-6304; Hor, Andy/0000-0001-7533-1590 FU Institute of Materials Research and Engineering [IMRE/12-8C0101]; Singapore Ministry of Education [MOE2010-T2-1-083]; NSERC Canada; US Department of Energy (DOE)-Basic Energy Sciences; NSERC; University of Washington; Canadian Light Source; Advanced Photon Source; US DOE [DE-AC02-06CH11357] FX The bulk of the work was supported by the Institute of Materials Research and Engineering (IMRE/12-8C0101) and the Singapore Ministry of Education (MOE2010-T2-1-083). Y.H. is grateful to KAUST Global Collaborative Research for the Academic Excellence Alliance (AEA) fund and P.Z. acknowledges the financial support from NSERC Canada. The PNC/XSD facilities at the Advanced Photon Source are supported by the US Department of Energy (DOE)-Basic Energy Sciences, a Major Resources Support grant from NSERC, the University of Washington, the Canadian Light Source, and the Advanced Photon Source. Use of the Advanced Photon Source was supported by the US DOE under contract no. DE-AC02-06CH11357. We thank PNC/XSD staff beamline scientist R. Gordon for synchrotron technical support. The authors thank H. Zhu, S. Animesh and R. Chen for technical assistance. NR 32 TC 162 Z9 162 U1 42 U2 389 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD FEB PY 2014 VL 13 IS 2 BP 157 EP 162 DI 10.1038/NMAT3804 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 296KB UT WOS:000330182700021 PM 24270581 ER PT J AU Ravichandran, J Yadav, AK Cheaito, R Rossen, PB Soukiassian, A Suresha, SJ Duda, JC Foley, BM Lee, CH Zhu, Y Lichtenberger, AW Moore, JE Muller, DA Schlom, DG Hopkins, PE Majumdar, A Ramesh, R Zurbuchen, MA AF Ravichandran, Jayakanth Yadav, Ajay K. Cheaito, Ramez Rossen, Pim B. Soukiassian, Arsen Suresha, S. J. Duda, John C. Foley, Brian M. Lee, Che-Hui Zhu, Ye Lichtenberger, Arthur W. Moore, Joel E. Muller, David A. Schlom, Darrell G. Hopkins, Patrick E. Majumdar, Arun Ramesh, Ramamoorthy Zurbuchen, Mark A. TI Crossover from incoherent to coherent phonon scattering in epitaxial oxide superlattices SO NATURE MATERIALS LA English DT Article ID THERMAL-CONDUCTIVITY; GAAS/ALAS SUPERLATTICES; LATTICE AB Elementary particles such as electrons(1,2) or photons(3,4) are frequent subjects of wave-nature-driven investigations, unlike collective excitations such as phonons. The demonstration of wave-particle crossover, in terms of macroscopic properties, is crucial to the understanding and application of the wave behaviour of matter. We present an unambiguous demonstration of the theoretically predicted crossover from diffuse (particle-like) to specular (wave-like) phonon scattering in epitaxial oxide superlattices, manifested by a minimum in lattice thermal conductivity as a function of interface density. We do so by synthesizing superlattices of electrically insulating perovskite oxides and systematically varying the interface density, with unit-cell precision, using two different epitaxialgrowth techniques. These observations open up opportunities for studies on the wave nature of phonons, particularly phonon interference effects, using oxide superlattices as model systems, with extensive applications in thermoelectrics and thermal management. C1 [Ravichandran, Jayakanth; Ramesh, Ramamoorthy] Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA. [Ravichandran, Jayakanth; Yadav, Ajay K.; Suresha, S. J.; Moore, Joel E.; Ramesh, Ramamoorthy] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Yadav, Ajay K.; Rossen, Pim B.; Ramesh, Ramamoorthy] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Cheaito, Ramez; Duda, John C.; Foley, Brian M.; Hopkins, Patrick E.] Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA. [Soukiassian, Arsen; Lee, Che-Hui; Schlom, Darrell G.] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA. [Zhu, Ye; Muller, David A.] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. [Lichtenberger, Arthur W.] Univ Virginia, Dept Elect & Comp Engn, Charlottesville, VA 22904 USA. [Moore, Joel E.; Ramesh, Ramamoorthy] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Muller, David A.; Schlom, Darrell G.] Cornell Univ, Kavli Inst Cornell Nanoscale Sci, Ithaca, NY 14853 USA. [Majumdar, Arun] US DOE, ARPA E, Washington, DC 20585 USA. [Ramesh, Ramamoorthy] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Zurbuchen, Mark A.] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. [Zurbuchen, Mark A.] Univ Calif Los Angeles, Dept Elect Engn, Western Inst Nanoelect, Los Angeles, CA 90095 USA. [Zurbuchen, Mark A.] Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA. RP Ramesh, R (reprint author), Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA. EM rramesh@berkeley.edu; mark_z@mac.com RI Ravichandran, Jayakanth/H-6329-2011; Zhu, Ye/A-1844-2011; Yadav, Ajay/I-6337-2016; Moore, Joel/O-4959-2016; OI Ravichandran, Jayakanth/0000-0001-5030-9143; Zhu, Ye/0000-0002-5217-493X; Yadav, Ajay/0000-0001-5088-6506; Moore, Joel/0000-0002-4294-5761; Muller, David/0000-0003-4129-0473 FU US Department of Energy, Office of Basic Energy Sciences [DE-AC02-05CH11231]; Defense Advanced Research Projects Agency (DARPA); US Army Aviation and Missile Research, Development, and Engineering Center (AMRDEC) [W31P4Q-09-1-0005]; NIH [1S10RR23057]; Army Research Office (ARO) [W911NF-09-1-0415, W911NF-13-1-0378]; electron microscopy facility of the Cornell Center for Materials Research (CCMR); National Science Foundation Materials Research Science and Engineering Centers (MRSEC) programme [DMR 1120296]; National Science Foundation (NSF) [CBET-1339436]; Link Foundation FX The work on SrTiO3 = CaTiO3 superlattices was supported by the US Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-05CH11231. The work on SrTiO3 = BaTiO3 superlattices by A.S., C-H.L., D.G.S. and M.A.Z. was supported by the Defense Advanced Research Projects Agency (DARPA) and the US Army Aviation and Missile Research, Development, and Engineering Center (AMRDEC) through Grant No. W31P4Q-09-1-0005. TEM sample preparation for some of the SrTiO3 = BaTiO3 superlattices was performed by the UCLA Nanoelectronics Research Facility. We acknowledge the use of instruments at the Electron Imaging Center for NanoMachines (EICN) supported by NIH (1S10RR23057 to Z. H.Z.) at the California NanoSystems Institute (CNSI), UCLA. Electron microscopy and spectroscopy of SrTiO3 = BaTiO3 at Cornell by Y.Z. and D.A.M. was supported by the Army Research Office (ARO) grant W911NF-09-1-0415 and the electron microscopy facility of the Cornell Center for Materials Research (CCMR) by the National Science Foundation Materials Research Science and Engineering Centers (MRSEC) programme (DMR 1120296). P.E.H. is grateful for financial support from Army Research office (ARO) grant W911NF-13-1-0378. TDTR measurements on the SrTiO3 = CaTiO3 superlattices at the University of Virginia were supported by the National Science Foundation (NSF) grant CBET-1339436. J.R. acknowledges the fellowship from Link Foundation. The authors wish to express deep gratitude to D.G. Cahill for measuring the thermal conductivity of a significant number of the samples by TDTR, and for many thoughtful discussions. The authors also wish to acknowledge the contributions of CrysTec GmbH for providing the high-quality single-crystal substrates that were used in this study. NR 33 TC 85 Z9 85 U1 17 U2 165 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD FEB PY 2014 VL 13 IS 2 BP 168 EP 172 DI 10.1038/NMAT3826 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 296KB UT WOS:000330182700023 PM 24317186 ER PT J AU Galerie, A Pint, B Monceau, D AF Galerie, Alain Pint, Bruce Monceau, Daniel TI High Temperature Coatings SO OXIDATION OF METALS LA English DT Editorial Material C1 [Galerie, Alain] Univ Grenoble, SIMaP, F-38402 St Martin Dheres, France. [Pint, Bruce] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Monceau, Daniel] CIRIMAT, INP Toulouse CNRS, F-31030 Toulouse, France. RP Galerie, A (reprint author), Univ Grenoble, SIMaP, BP 75, F-38402 St Martin Dheres, France. EM alain.galerie@laposte.net; 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 3 U2 18 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0030-770X EI 1573-4889 J9 OXID MET JI Oxid. Met. PD FEB PY 2014 VL 81 IS 1-2 SI SI BP 1 EP 1 DI 10.1007/s11085-013-9462-3 PG 1 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 296GY UT WOS:000330174400001 ER PT J AU Greeley, MS Elmore, LR McCracken, MK Sherrard, RM AF Greeley, Mark S., Jr. Elmore, Logan R. McCracken, Mary K. Sherrard, Rick M. TI Effects of Sediment Containing Coal Ash from the Kingston Ash Release on Embryo-Larval Development in the Fathead Minnow, Pimephales promelas (Rafinesque, 1820) SO BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY LA English DT Article DE Coal ash; Toxicity; Fish; Early life stages; Selenium; Teratogenicity; Mercury ID ENVIRONMENTAL IMPACTS; SELENIUM TOXICITY; HEAVY-METALS; FLY-ASH; FISH; TENNESSEE; MERCURY; SPILL; BIOACCUMULATION; DISPOSAL AB The largest environmental release of coal ash in US history occurred in December 2008 with the failure of a retention structure at the Tennessee Valley Authority Kingston Fossil Fuel Plant in East Tennessee. A byproduct of coal-burning power plants, coal ash is enriched in metals and metalloids such as selenium and arsenic with known toxicity to fish embryonic and larval life stages. The early development of fish embryos and larvae during contact exposures to river bottom sediments containing up to 78 % coal ash from the Kingston spill was examined in 7-day laboratory tests with the fathead minnow (Pimephales promelas). No significant effects were observed in hatching success, incidences of developmental abnormalities, or embryo-larval survival. Results suggest that direct exposures to sediment containing residual coal ash from the Kingston ash release may not present a significant risk to fish eggs and larvae in waterways affected by the coal ash spill. C1 [Greeley, Mark S., Jr.; Elmore, Logan R.; McCracken, Mary K.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Sherrard, Rick M.] Tennessee Valley Author, Chattanooga, TN 37402 USA. RP Greeley, MS (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM greeleyms@ornl.gov RI Greeley, Mark/D-2330-2016 OI Greeley, Mark/0000-0002-6088-5942 FU Tennessee Valley Authority (TVA); US Department of Energy [DE-AC05-00OR22725] FX This study was sponsored by the Tennessee Valley Authority (TVA). Colleagues who contributed included S. Marshall Adams, Gail Morris, Mark Peterson, Jay Tenney, and Kristin Ward of ORNL; Neil Carriker and Tyler Baker of TVA; and Daniel Jones of ARCADIS. ORNL is managed by UT Battelle, LLC, for the US Department of Energy under Contract DE-AC05-00OR22725. 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 32 TC 8 Z9 8 U1 3 U2 46 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0007-4861 EI 1432-0800 J9 B ENVIRON CONTAM TOX JI Bull. Environ. Contam. Toxicol. PD FEB PY 2014 VL 92 IS 2 BP 154 EP 159 DI 10.1007/s00128-013-1149-6 PG 6 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA 290TQ UT WOS:000329781600006 PM 24213590 ER PT J AU Laverock, B Tait, K Gilbert, JA Osborn, AM Widdicombe, S AF Laverock, B. Tait, K. Gilbert, J. A. Osborn, A. M. Widdicombe, S. TI Impacts of bioturbation on temporal variation in bacterial and archaeal nitrogen-cycling gene abundance in coastal sediments SO ENVIRONMENTAL MICROBIOLOGY REPORTS LA English DT Article ID AMMONIA-OXIDIZING ARCHAEA; SHRIMP CALLIANASSA-SUBTERRANEA; SHALLOW-WATER STATION; WESTERN KIEL BIGHT; 16S RIBOSOMAL-RNA; BENTHIC RESPONSE; THALASSINIDEAN SHRIMP; DENITRIFYING BACTERIA; RELATIVE ABUNDANCE; MARINE-SEDIMENTS AB In marine environments, macrofauna living in or on the sediment surface may alter the structure, diversity and function of benthic microbial communities. In particular, microbial nitrogen (N)-cycling processes may be enhanced by the activity of large bioturbating organisms. Here, we study the effect of the burrowing mud shrimp Upogebia deltaura upon temporal variation in the abundance of genes representing key N-cycling functional guilds. The abundance of bacterial genes representing different N-cycling guilds displayed different temporal patterns in burrow sediments in comparison with surface sediments, suggesting that the burrow provides a unique environment where bacterial gene abundances are influenced directly by macrofaunal activity. In contrast, the abundances of archaeal ammonia oxidizers varied temporally but were not affected by bioturbation, indicating differential responses between bacterial and archaeal ammonia oxidizers to environmental physicochemical controls. This study highlights the importance of bioturbation as a control over the temporal variation in nitrogen-cycling microbial community dynamics within coastal sediments. C1 [Laverock, B.; Tait, K.; Widdicombe, S.] Plymouth Marine Lab, Plymouth PL1 3DH, Devon, England. [Laverock, B.; Osborn, A. M.] Univ Sheffield, Dept Anim & Plant Sci, Sheffield S10 2TN, S Yorkshire, England. [Laverock, B.] Univ Western Australia, Sch Plant Biol, Crawley, WA 6009, Australia. [Laverock, B.] Univ Western Australia, UWA Oceans Inst, Crawley, WA 6009, Australia. [Gilbert, J. A.] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [Gilbert, J. A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Osborn, A. M.] Univ Hull, Dept Biol Sci, Kingston Upon Hull HU6 7RX, N Humberside, England. RP Laverock, B (reprint author), Plymouth Marine Lab, Prospect Pl, Plymouth PL1 3DH, Devon, England. EM bonnie.laverock@uwa.edu.au RI Osborn, Andrew/F-5466-2015 OI Osborn, Andrew/0000-0002-6433-0581 FU NERC Algorithm PhD Studentship [NE/F008864/1]; NERC [2025] FX B.L. acknowledges support from a NERC Algorithm PhD Studentship (NE/F008864/1) and from the NERC-funded programme Oceans 2025 (Theme 3: Coastal and shelf processes). We thank the crew of the RV Sepia for their help with sediment collection. NR 61 TC 12 Z9 14 U1 2 U2 42 PU WILEY PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1758-2229 J9 ENV MICROBIOL REP JI Environ. Microbiol. Rep. PD FEB PY 2014 VL 6 IS 1 BP 113 EP 121 DI 10.1111/1758-2229.12115 PG 9 WC Environmental Sciences; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 291IB UT WOS:000329820500013 PM 24596269 ER PT J AU Harrison, S Rowan, AV Glasser, NF Knight, J Plummer, MA Mills, SC AF Harrison, Stephan Rowan, Ann V. Glasser, Neil F. Knight, Jasper Plummer, Mitchell A. Mills, Stephanie C. TI Little Ice Age glaciers in Britain: Glacier-climate modelling in the Cairngorm Mountains SO HOLOCENE LA English DT Article DE British Isles; Cairngorms; Little Ice Age glaciers; modelling ID YOUNGER DRYAS; SCOTLAND; HIGHLANDS AB It is widely believed that the last glaciers in the British Isles disappeared at the end of the Younger Dryas stadial (12.9-11.7 cal. kyr BP). Here, we use a glacier-climate model driven by data from local weather stations to show for the first time that glaciers developed during the Little Ice Age (LIA) in the Cairngorm Mountains. Our model is forced from contemporary conditions by a realistic difference in mean annual air temperature of -1.5 degrees C and an increase in annual precipitation of 10%, and confirmed by sensitivity analyses. These results are supported by the presence of small boulder moraines well within Younger Dryas ice limits, and by a dating programme on a moraine in one cirque. As a result, we argue that the last glaciers in the Cairngorm Mountains (and perhaps elsewhere in upland Britain) existed in the LIA within the last few hundred years, rather than during the Younger Dryas. C1 [Harrison, Stephan] Univ Exeter, Penryn TR10 9EZ, Cornwall, England. [Rowan, Ann V.; Glasser, Neil F.] Aberystwyth Univ, Aberystwyth, Dyfed, Wales. [Knight, Jasper] Univ Witwatersrand, Johannesburg, South Africa. [Plummer, Mitchell A.] Idaho Natl Lab, Idaho Falls, ID USA. [Mills, Stephanie C.] Univ Plymouth, Plymouth PL4 8AA, Devon, England. RP Harrison, S (reprint author), Univ Exeter, Coll Life & Environm Sci, Penryn TR10 9EZ, Cornwall, England. EM Stephan.harrison@exeter.ac.uk RI Knight, Jasper/F-2288-2010; OI Glasser, Neil/0000-0002-8245-2670; Rowan, Ann/0000-0002-3715-5554 NR 30 TC 8 Z9 8 U1 3 U2 21 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 0959-6836 EI 1477-0911 J9 HOLOCENE JI Holocene PD FEB PY 2014 VL 24 IS 2 BP 135 EP 140 DI 10.1177/0959683613516170 PG 6 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 291KQ UT WOS:000329828000001 ER PT J AU Tian, JK Wan, FC Battaglia, VS Zhang, HL AF Tian Jian-Kun Wan Fu-Cheng Battaglia, Vincent S. Zhang Hai-Lang TI Synthesis and Electrochemical Performance of Nanosized Multiple-doped LiMn2O4 Prepared at Low Temperature for Liion Battery SO INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE LA English DT Article DE Li-Mn Spinel; multiple doping; cathode material; nano material; lithium-ion battery ID LITHIUM-ION BATTERIES; SOL-GEL METHOD; RECHARGEABLE BATTERIES; CATHODE MATERIAL; SECONDARY BATTERIES; NANOCRYSTALLINE LIMN2O4; OXYGEN DEFICIENCY; SPINEL CATHODE; MN-SPINEL; POWDERS AB Undoped and multiple doped Li-Mn spinel cathode materials for Li-ion battrry have been successfully synthsized by citric acid sol-gel method at a lower temperature 600 degrees C. The micro-structures for the materials were charactered by X-ray diffraction (XRD) and scanning electron microscope (SEM). All the synthesized materials are pure spinel phase with cubic structure and nano-sized. Their electrochemical properties were tested by galvanostatic charge-discharge cycling for the half-cells at at the current density 0.2 mA . cm(-2)(equal to about C/3) between 3.0 similar to 4.5V (versus. Li/Li+) at room temperature. The undoped LiMn2O4 spinel has a high initial discharge specific capacity of 122.5 mAh.g(-1) and a very high capacity retention of 92.4% after 40 cycles. The good result could be ascribed to its nano-scale size synthesized in lower temperature in a large part. By multiple doping, pure phase spinel Li1.03M0.06Mn1.91O4 (M= Zn0.03Mg0.03, Al0.03Zn0.03, Al0.03Mg0.03, Al0.03Mg0.015Zn0.015) were obtained. Multiple doping could improve the Li-Mn spinel Li-ion battrry cathode materials furthermore. Among the synthesized materials, Li1.03Zn0.03Mg0.03Mn1.91O4 has the highest capacity retention of 97.4% after 40 cycles with an initial discharge specific capacity of 107.5mAh.g(-1). C1 [Tian Jian-Kun; Wan Fu-Cheng] Xinyang Vacat & Tech Coll, Xinyang 464000, Henan Province, Peoples R China. [Battaglia, Vincent S.; Zhang Hai-Lang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, EETD, Berkeley, CA 94720 USA. [Zhang Hai-Lang] Jiangnan Univ, Sch Chem & Mat Engn, Wuxi 214122, Jiangsu, Peoples R China. RP Tian, JK (reprint author), Xinyang Vacat & Tech Coll, Xinyang 464000, Henan Province, Peoples R China. EM vsbattaglia@lbl.gov; zhl8868@vip.163.com FU Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231] FX This 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, under the Batteries for Advanced Transportation Technologies (BATT) Program. NR 51 TC 9 Z9 9 U1 4 U2 53 PU ESG PI BELGRADE PA BORIVOJA STEVANOVICA 25-7, BELGRADE, 11000, SERBIA SN 1452-3981 J9 INT J ELECTROCHEM SC JI Int. J. Electrochem. Sci. PD FEB PY 2014 VL 9 IS 2 BP 931 EP 942 PG 12 WC Electrochemistry SC Electrochemistry GA 294EC UT WOS:000330024200035 ER PT J AU Siegel, AR Smith, K Romano, PK Forget, B Felker, KG AF Siegel, Andrew R. Smith, Kord Romano, Paul K. Forget, Benoit Felker, Kyle G. TI Multi-core performance studies of a Monte Carlo neutron transport code SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE OpenMC; OpenMP; reactor analysis; multi-core; shared memory; Monte Carlo ID PARTICLE-TRANSPORT; RADIATION; MODEL AB Performance results are presented for a multi-threaded version of the OpenMC Monte Carlo neutronics code using OpenMP in the context of nuclear reactor criticality calculations. Our main interest is production computing, and thus we limit our approach to threading strategies that both require reasonable levels of development effort and preserve the code features necessary for robust application to real-world reactor problems. Several approaches are developed and the results compared on several multi-core platforms using a popular reactor physics benchmark. A broad range of performance studies are distilled into a simple, consistent picture of the empirical performance characteristics of reactor Monte Carlo algorithms on current multi-core architectures. C1 [Siegel, Andrew R.; Felker, Kyle G.] Argonne Natl Lab, Argonne, IL 60439 USA. [Smith, Kord; Romano, Paul K.; Forget, Benoit] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. RP Felker, KG (reprint author), Argonne Natl Lab, 9700 South Cass Ave,Bldg 240,2F8, Argonne, IL 60439 USA. EM felker@mcs.anl.gov OI Romano, Paul/0000-0002-1147-045X FU Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357]; NSF [CNS-0958512] FX This work was supported by the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy (contract DE-AC02-06CH11357). The Chimera computer used in this research was funded by the NSF (Award CNS-0958512). NR 19 TC 8 Z9 8 U1 0 U2 11 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 EI 1741-2846 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2014 VL 28 IS 1 BP 87 EP 96 DI 10.1177/1094342013492179 PG 10 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 291MT UT WOS:000329833500007 ER PT J AU Zhang, YF Bouchet, J Dong, X Margetis, S Ritter, HG AF Zhang, Yifei Bouchet, Jonathan Dong, Xin Margetis, Spyridon Ritter, Hans Georg TI Study of bottom production with the STAR Heavy Flavor Tracker SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article DE RHIC-STAR; heavy flavor tracker; bottom; semi-leptonic decay ID CHARM FLOW; COLLISIONS; DYNAMICS AB We explore the possibility of measuring B-hadrons produced in heavy ion reactions at relativistic heavy ion collider through the semi-leptonic decay B -> e + X with the STAR Heavy Flavor Tracker. We present a method to separately measure the production of charm and beauty hadrons by exploring the different impact parameter distributions of their decay electrons. The uncertainties of the transverse momentum distributions, nuclear modification factors and elliptic flow parameters of the electrons from heavy flavor decay are estimated. Relevant physics topics are discussed. C1 [Zhang, Yifei] Univ Sci & Technol China, State Key Lab Particle Detect & Elect, Hefei 230026, Anhui, Peoples R China. [Zhang, Yifei; Dong, Xin; Ritter, Hans Georg] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bouchet, Jonathan; Margetis, Spyridon] Kent State Univ, Kent, OH 44242 USA. RP Zhang, YF (reprint author), Univ Sci & Technol China, State Key Lab Particle Detect & Elect, Hefei 230026, Anhui, Peoples R China. EM ephy@ustc.edu.cn RI Dong, Xin/G-1799-2014 OI Dong, Xin/0000-0001-9083-5906 FU STAR-HFT group; NERSC Center at LBNL; US Department of Energy [DE-AC03-76SF000098]; Major State Basic Research Development Program in China [2014CB845402]; National Natural Science Foundation of China [11375184]; 985 Project II of Chinese Ministry of Education [ZC9850290172]; Fundamental Research Funds for the Central Universities of China [WK2030040028] FX We thank the STAR-HFT group and the NERSC Center at LBNL for their support. This work was supported in part by the US Department of Energy under contract DE-AC03-76SF000098, the Major State Basic Research Development Program in China with grant no. 2014CB845402, the National Natural Science Foundation of China with grant no. 11375184, the 985 Project II of Chinese Ministry of Education with grant no. ZC9850290172, and the Fundamental Research Funds for the Central Universities of China with grant no. WK2030040028. NR 39 TC 4 Z9 4 U1 2 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 EI 1361-6471 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD FEB PY 2014 VL 41 IS 2 AR 025103 DI 10.1088/0954-3899/41/2/025103 PG 9 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 293QU UT WOS:000329989600009 ER PT J AU Finch, NS Andraka, CE AF Finch, Nolan S. Andraka, Charles E. TI Uncertainty Analysis and Characterization of the SOFAST Mirror Facet Characterization System SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article DE optical characterization; dish; optics; facet; slope error; deflectometry; fringe reflection; uncertainty AB Sandia Optical Fringe Analysis Slope Tool (SOFAST) is a mirror facet characterization system based on fringe reflection technology that has been applied to dish and heliostat mirror facet development at Sandia National Laboratories and development partner sites. The tool provides a detailed map of mirror facet surface normals as compared to design and fitted surfaces. In addition, the surface fitting process provides insights into systematic facet slope characterization, such as focal lengths, tilts, and twist of the facet. In this paper, an analysis of the sensitivities of the facet characterization outputs to variations of SOFAST input parameters is presented. The results of the sensitivity analysis provided the basis for a linear uncertainty analysis, which is also included here. Input parameters included hardware parameters and SOFAST setup variables. Output parameters included the fitted shape parameters (focal lengths and twist) and the residuals (typically called slope error). The study utilized empirical propagation of input parameter errors through facet characterization calculations to the output parameters, based on the measurement of an Advanced Dish Development System (ADDS) structural gore point-focus facet. Thus, this study is limited to the characterization of sensitivities of the SOFAST embodiment intended for dish facet characterization, using an LCD screen as a target panel. With reasonably careful setup, SOFAST is demonstrated to provide facet focal length characterization within 0.5% of actual. Facet twist is accurate within +/- 0.03 mrad/m. The local slope deviation measurement is accurate within +/- 0.05 mrad, while the global slope residual is accurate within +/- 0.005 mrad. All uncertainties are quoted with 95% confidence. C1 [Finch, Nolan S.; Andraka, Charles E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Finch, NS (reprint author), Sandia Natl Labs, POB 5800,MS 1127, Albuquerque, NM 87185 USA. EM ceandra@sandia.gov FU Sandia Corporation [DE-AC04-94AL85000]; U.S. Department of Energy FX This manuscript has been authored by Sandia Corporation under Contract No. DE-AC04-94AL85000 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 11 TC 1 Z9 1 U1 0 U2 11 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 EI 1528-8986 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD FEB PY 2014 VL 136 IS 1 SI SI DI 10.1115/1.4024251 PG 7 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 292WF UT WOS:000329932700012 ER PT J AU Ho, CK Mahoney, AR Ambrosini, A Bencomo, M Hall, A Lambert, TN AF Ho, Clifford K. Mahoney, A. Roderick Ambrosini, Andrea Bencomo, Marlene Hall, Aaron Lambert, Timothy N. TI Characterization of Pyromark 2500 Paint for High-Temperature Solar Receivers SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article AB Pyromark 2500 is a silicone-based high-temperature paint that has been used on central receivers to increase solar absorptance. The radiative properties, aging, and selective absorber efficiency of Pyromark 2500 are presented in this paper for use as a baseline for comparison to high-temperature solar selective absorber coatings currently being developed. The solar absorptance ranged from similar to 0.97 at near-normal incidence angles to similar to 0.8 at glancing (80 degrees) incidence angles, and the thermal emittance ranged from similar to 0.8 at 100 degrees C to similar to 0.9 at 1000 degrees C. After thermal aging at temperatures of similar to 750 degrees C or higher, the solar absorptance decreased by several percentage points within a few days. It was postulated that the substrate may have contributed to a change in the crystal structure of the original coating at elevated temperatures. C1 [Ho, Clifford K.; Mahoney, A. Roderick; Ambrosini, Andrea; Bencomo, Marlene; Hall, Aaron; Lambert, Timothy N.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ho, CK (reprint author), Sandia Natl Labs, POB 5800,MS 1127, Albuquerque, NM 87185 USA. EM ckho@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank Marlene Knight for her assistance with the application of the Pyromark paint onto the samples. 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. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 9 TC 19 Z9 19 U1 1 U2 11 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 EI 1528-8986 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD FEB PY 2014 VL 136 IS 1 SI SI AR 014502 DI 10.1115/1.4024031 PG 4 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 292WF UT WOS:000329932700031 ER PT J AU Kutscher, CF Netter, JC AF Kutscher, Charles F. Netter, Judy C. TI A Method for Measuring the Optical Efficiency of Evacuated Receivers SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article DE parabolic trough; evacuated receiver; optical efficiency; test method; solar collector; outdoor; nondestructive AB Evacuated receivers used with parabolic trough solar collectors can be characterized in terms of their heat loss and optical efficiency. The optical efficiency is the ratio of the energy collected to the incident solar radiation when operating at ambient temperature. If one restricts attention to the active portion of the absorber receiving incident sunlight, this is equal to the product of the transmittance of the glass cover (tau) and the absorptance of the absorber surface (alpha). This paper describes a new outdoor transient test method for measuring the optical efficiency. An aluminum tube is inserted into the center of the stainless steel absorber tube, and the annulus between the two tubes is filled with a measured mass of aluminum shot. The receiver is precooled and then exposed on an outdoor test rig to solar radiation. The slopes of the temperature versus time curves for the aluminum filler and the steel tube are taken during a period of steady solar radiation and near the point at which the average glass temperature is close to the average absorber temperature (i.e., when there is minimal heat loss from the absorber tube to ambient). The slopes are then used to determine the optical efficiency. This method has the advantage of using the actual solar spectrum and has an uncertainty of about +/- 3%, which can be improved upon if a reference receiver is used for comparison. When this method was applied to the active section of the receiver tube, measurements of an actual receiver tube yielded a tau alpha that, to within experimental uncertainty, is consistent with the manufacturer's values of tau and alpha. C1 [Kutscher, Charles F.; Netter, Judy C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Kutscher, CF (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM chuck.kutscher@nrel.gov; judy.netter@nrel.gov FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory. We would like to thank Mike Martinez and Vic Castillo for their assistance in building the experimental apparatus, Allison Gray for her help with data collection, and Judith Gomez for measuring the specific heat of the aluminum shot. NR 3 TC 5 Z9 5 U1 0 U2 8 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 EI 1528-8986 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD FEB PY 2014 VL 136 IS 1 SI SI AR 010907 DI 10.1115/1.4026335 PG 5 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 292WF UT WOS:000329932700008 ER PT J AU Tabares-Velasco, PC AF Tabares-Velasco, Paulo Cesar TI Energy Impacts of Nonlinear Behavior of Phase Change Materials When Applied to Opaque Building Envelopes SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article ID THERMAL STORAGE; LATENT-HEAT; PCM; ENTHALPY; PERFORMANCE; SIMULATION; ACCURACY AB Research on phase change materials (PCM) as a potential technology to reduce peak loads and heating, ventilation and air conditioning (HVAC) energy use in buildings has been conducted for several decades, resulting in a great deal of literature on PCM properties, temperature, and peak reduction potential. However, there are few building energy simulation programs that include PCM modeling features, and very few of these have been validated. Additionally, there is no previous research that indicates the level of accuracy when modeling PCMs from a building energy simulation perspective. This study analyzes the effects a nonlinear enthalpy profile has on thermal performance and expected energy benefits for PCM-enhanced insulation. The impact of accurately modeling realistic, nonlinear enthalpy profiles for PCMs versus simpler profiles is analyzed based on peak load reduction and energy savings using the conduction finite difference (CondFD) algorithm in EnergyPlus. The PCM and CondFD models used in this study have been previously validated after intensive verification and validation done at the National Renewable Energy Laboratory. Overall, the results of this study show annual energy savings are not very sensitive to the linearization of enthalpy curve. However, hourly analysis shows that if simpler linear profiles are used, users should try to specify a melting range covering roughly 80% of the latent heat; otherwise, hourly results can differ by up to 20%. C1 Natl Renewable Energy Lab, Golden, CO 80123 USA. RP Tabares-Velasco, PC (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80123 USA. FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory (NREL) FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory (NREL). The author would like to thank Noel Merkel and Dennis Barley from NREL for their critical reviews and suggestions and Ken Childs, of Oak Ridge National Laboratory, for the initial technical discussion on linear and nonlinear melting profiles. NR 24 TC 1 Z9 1 U1 2 U2 25 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 EI 1528-8986 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD FEB PY 2014 VL 136 IS 1 SI SI DI 10.1115/1.4024926 PG 7 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 292WF UT WOS:000329932700022 ER PT J AU Ballinger, MY Duchsherer, CJ Woodruff, RK Larson, TV AF Ballinger, Marcel Y. Duchsherer, Cheryl J. Woodruff, Rodger K. Larson, Timothy V. TI Comparison of stack measurement data from R&D facilities to regulatory criteria: A case study from PNNL SO JOURNAL OF THE AIR & WASTE MANAGEMENT ASSOCIATION LA English DT Article ID DISPERSION MODELS AB Chemical emissions from research and development (R&D) activities are difficult to estimate because of the large number of chemicals used and the potential for continual changes in processes. In this case study, stack measurements taken from R&D facilities at Pacific Northwest National Laboratory (PNNL) were examined, including extreme worst-case emissions estimates and alternate analyses using a Monte Carlo method that takes into account the full distribution of sampling results. The objective of this study was to develop techniques to estimate emissions from stack measurement data that take into account a high degree of variability in the actual emissions. The results from these analyses were then compared to emissions estimated from chemical inventories. Results showed that downwind ambient air concentrations calculated from the stack measurement data were below acceptable source impact levels (ASILs) for almost all compounds, even under extreme worst-case analyses. However, for compounds with averaging periods of a year, the unrealistic but simplifying extreme worst-case analysis often resulted in calculated emissions that were above the lower level regulatory criteria used to determine modeling requirements or to define trivial releases. Compounds with 24-hr averaging periods were nearly all several orders of magnitude below all, including the trivial release, criteria. The alternate analysis supplied a more realistic basis of comparison and an ability to explore effects under different operational modes. Implications: Air emissions from research operations are difficult to estimate because of the changing nature of research processes and the small quantity and wide variety of chemicals used. Stack measurements can be used to verify compliance with applicable regulatory criteria. This study shows that while extreme worst-case assumptions can be used for a relatively simple initial comparison, methods that take into account the full range of measurement data are needed to provide a more realistic estimate of emissions for comparison to regulatory criteria, particularly those criteria that define trivial levels of environmental concern. C1 [Ballinger, Marcel Y.] Pacific NW Natl Lab, Battelle Seattle Res Ctr, Seattle, WA 98109 USA. [Duchsherer, Cheryl J.; Woodruff, Rodger K.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Larson, Timothy V.] Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA. RP Ballinger, MY (reprint author), Pacific NW Natl Lab, Battelle Seattle Res Ctr, 1100 Dexter Ave North, Seattle, WA 98109 USA. EM marcel.ballinger@pnnl.gov NR 12 TC 1 Z9 1 U1 0 U2 5 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1096-2247 EI 2162-2906 J9 J AIR WASTE MANAGE JI J. Air Waste Manage. Assoc. PD FEB 1 PY 2014 VL 64 IS 2 BP 235 EP 246 DI 10.1080/10962247.2013.858650 PG 12 WC Engineering, Environmental; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 292JZ UT WOS:000329899300010 PM 24654391 ER PT J AU Perez-Berna, AJ Mangel, WF McGrath, WJ Graziano, V Flint, J San Martin, C AF Perez-Berna, Ana J. Mangel, Walter F. McGrath, William J. Graziano, Vito Flint, Jane San Martin, Carmen TI Processing of the L1 52/55k Protein by the Adenovirus Protease: a New Substrate and New Insights into Virion Maturation SO JOURNAL OF VIROLOGY LA English DT Article ID IVA2 PROTEIN; VIRAL-DNA; 52/55-KILODALTON PROTEIN; SCAFFOLDING PROTEIN; 55-KILODALTON PROTEINS; SEROTYPE SPECIFICITY; PACKAGING SEQUENCES; GENE-EXPRESSION; BINDING DOMAIN; TYPE-2 VIRION AB Late in adenovirus assembly, the viral protease (AVP) becomes activated and cleaves multiple copies of three capsid and three core proteins. Proteolytic maturation is an absolute requirement to render the viral particle infectious. We show here that the L1 52/55k protein, which is present in empty capsids but not in mature virions and is required for genome packaging, is the seventh substrate for AVP. A new estimate on its copy number indicates that there are about 50 molecules of the L1 52/55k protein in the immature virus particle. Using a quasi-in vivo situation, i.e., the addition of recombinant AVP to mildly disrupted immature virus particles, we show that cleavage of L1 52/55k is DNA dependent, as is the cleavage of the other viral precursor proteins, and occurs at multiple sites, many not conforming to AVP consensus cleavage sites. Proteolytic processing of L1 52/55k disrupts its interactions with other capsid and core proteins, providing a mechanism for its removal during viral maturation. Our results support a model in which the role of L1 52/55k protein during assembly consists in tethering the viral core to the icosahedral shell and in which maturation proceeds simultaneously with packaging, before the viral particle is sealed. C1 [Perez-Berna, Ana J.; San Martin, Carmen] CSIC, CNB, Dept Macromol Struct, Madrid, Spain. [Mangel, Walter F.; McGrath, William J.; Graziano, Vito] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. [Flint, Jane] Princeton Univ, Dept Mol Biol, Princeton, NJ 08544 USA. RP San Martin, C (reprint author), CSIC, CNB, Dept Macromol Struct, Madrid, Spain. EM carmen@cnb.csic.es RI San Martin, Carmen/A-4074-2010; Perez-Berna, Ana/G-2789-2016 OI San Martin, Carmen/0000-0001-9799-175X; FU Ministerio de Economia y Competitividad of Spain [BFU2010-16382]; National Institutes of Health grants [R01AI41599, GM037705]; Ministerio de Ciencia e Innovacion of Spain FX This study was supported by grant BFU2010-16382 from the Ministerio de Economia y Competitividad of Spain (to C.S.M.) and by National Institutes of Health grants R01AI41599 (to W.F.M.) and GM037705 (to S.J.F.). A.J.P.-B. was a recipient of a Juan de la Cierva postdoctoral contract from the Ministerio de Ciencia e Innovacion of Spain. NR 57 TC 9 Z9 10 U1 0 U2 3 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X EI 1098-5514 J9 J VIROL JI J. Virol. PD FEB PY 2014 VL 88 IS 3 BP 1513 EP 1524 DI 10.1128/JVI.02884-13 PG 12 WC Virology SC Virology GA 291UU UT WOS:000329857000010 PM 24227847 ER PT J AU Askari, H Young, J Field, D Kridli, G Li, DS Zbib, H AF Askari, Hesam Young, John Field, David Kridli, Ghassan Li, Dongsheng Zbib, Hussein TI A study of the hot and cold deformation of twin-roll cast magnesium alloy AZ31 SO PHILOSOPHICAL MAGAZINE LA English DT Article DE constitutive equations; dislocation dynamics; superplastic deformation; magnesium alloys; microstructural analysis ID TEXTURE DEVELOPMENT; CRYSTAL PLASTICITY; DISLOCATION-DENSITY; MICROSTRUCTURAL EVOLUTION; ZIRCONIUM ALLOYS; SINGLE-CRYSTALS; STRAIN RATES; SUPERPLASTICITY; TEMPERATURE; MODEL AB Recent advances in twin-roll casting (TRC) technology of magnesium have demonstrated the feasibility of producing magnesium sheets in the range of widths needed for automotive applications. However, challenges in the areas of manufacturing, material processing and modelling need to be resolved in order to fully utilize magnesium alloys. Despite the limited formability of magnesium alloys at room temperature due to their hexagonal close-packed crystalline structure, studies have shown that the formability of magnesium alloys can be significantly improved by processing the material at elevated temperatures and by modifying their microstructure to increase ductility. Such improvements can potentially be achieved by processes such as superplastic forming along with manufacturing techniques such as TRC. In this work, we investigate the superplastic behaviour of twin-roll cast AZ31 through mechanical testing, microstructure characterization and computational modelling. Validated by the experimental results, a novel continuum dislocation dynamics-based constitutive model is developed and coupled with viscoplastic self-consistent model to simulate the deformation behaviour. The model integrates the main microstructural features such as dislocation densities, grain shape and grain orientations within a self-consistent viscoplasticity theory with internal variables. Simulations of the deformation process at room temperature show large activity of the basal and prismatic systems at the early stages of deformation and increasing activity of pyramidal systems due to twinning at the later stages. The predicted texture at room temperature is consistent with the experimental results. Using appropriate model parameters at high temperatures, the stress-strain relationship can be described accurately over the range of low strain rates. C1 [Askari, Hesam; Young, John; Field, David; Zbib, Hussein] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. [Kridli, Ghassan] Texas A&M Univ Qatar, Dept Mech Engn, Doha, Qatar. [Li, Dongsheng] Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99352 USA. RP Askari, H (reprint author), Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. EM hesam_askari@wsu.edu RI Field, David/D-5216-2012 OI Field, David/0000-0001-9415-0795 FU National Priorities Research Program grant from the Qatar National Research Fund (a member of The Qatar Foundation) [NPRP 09-611-2-236] FX This publication was made possible by a National Priorities Research Program grant from the Qatar National Research Fund (a member of The Qatar Foundation), Grant No. NPRP 09-611-2-236. The statements made herein are solely the responsibility of the authors. NR 59 TC 12 Z9 12 U1 4 U2 31 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 EI 1478-6443 J9 PHILOS MAG JI Philos. Mag. PD FEB 1 PY 2014 VL 94 IS 4 BP 381 EP 403 DI 10.1080/14786435.2013.853884 PG 23 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 291JG UT WOS:000329824400003 ER PT J AU Gronbech-Jensen, N Hayre, NR Farago, O AF Gronbech-Jensen, Niels Hayre, Natha Robert Farago, Oded TI Application of the G-JF discrete-time thermostat for fast and accurate molecular simulations SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Molecular dynamics; Verlet algorithm; Simulated Langevin dynamics; Stochastic differential equations ID LANGEVIN DYNAMICS; ALGORITHMS AB A new Langevin-Verlet thermostat that preserves the fluctuation-dissipation relationship for discrete time steps is applied to molecular modeling and tested against several popular suites (AMBER, GROMACS, LAMMPS) using a small molecule as an example that can be easily simulated by all three packages. Contrary to existing methods, the new thermostat exhibits no detectable changes in the sampling statistics as the time step is varied in the entire numerical stability range. The simple form of the method, which we express in the three common forms (Velocity-Explicit, Stormer-Verlet, and Leap-Frog), allows for easy implementation within existing molecular simulation packages to achieve faster and more accurate results with no cost in either computing time or programming complexity. (C) 2013 Elsevier B.V. All rights reserved. C1 [Gronbech-Jensen, Niels; Farago, Oded] Univ Calif Davis, Dept Mech & Aerosp Engn, Davis, CA 95616 USA. [Gronbech-Jensen, Niels] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Gronbech-Jensen, Niels] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Hayre, Natha Robert] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Farago, Oded] Ben Gurion Univ Negev, Dept Biomed Engn, IL-84105 Beer Sheva, Israel. [Farago, Oded] Ben Gurion Univ Negev, Ilse Katz Inst Nanoscale Sci & Technol, IL-84105 Beer Sheva, Israel. RP Gronbech-Jensen, N (reprint author), Univ Calif Davis, Dept Mech & Aerosp Engn, Davis, CA 95616 USA. EM ngjensen@ucdavis.edu FU US Department of Energy Project [DE-NE0000536000]; Research Investments in the Sciences and Engineering (RISE) Program (UC Davis); US NSF [DMR-1207624] FX The authors thank George Batrouni, Daniel Cox, Richard Scalettar, and Rajiv Singh for encouraging discussions. This work was supported primarily by the US Department of Energy Project DE-NE0000536000. The work was also supported by the Research Investments in the Sciences and Engineering (RISE) Program (UC Davis) and US NSF Grant DMR-1207624. NR 18 TC 11 Z9 11 U1 4 U2 19 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD FEB PY 2014 VL 185 IS 2 BP 524 EP 527 DI 10.1016/j.cpc.2013.10.006 PG 4 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 287JG UT WOS:000329537500010 ER PT J AU Alioli, S Badger, S Bellm, J Biedermann, B Boudjema, F Cullen, G Denner, A van Deurzen, H Dittmaier, S Frederix, R Frixione, S Garzelli, MV Gieseke, S Glover, EWN Greiner, N Heinrich, G Hirschi, V Hoche, S Alioli, S Badger, S Bellm, J Biedermann, B Boudjema, F Cullen, G Denner, A van Deurzen, H Dittmaier, S Frederix, R Frixione, S Garzelli, MV Gieseke, S Glover, EWN Greiner, N Heinrich, G Hirschi, V Hoche, S Huston, J Ita, H Kauer, N Krauss, F Luisoni, G Maitre, D Maltoni, F Nason, P Oleari, C Pittau, R Platzer, S Pozzorini, S Reina, L Reuschle, C Robens, T Schlenk, J Schonherr, M Siegert, F von Soden-Fraunhofen, JF Tackmann, F Tramontano, F Uwer, P Salam, G Skands, P Weinzierl, S Winter, J Yundin, V Zanderighi, G Zaro, M AF Alioli, S. Badger, S. Bellm, J. Biedermann, B. Boudjema, F. Cullen, G. Denner, A. van Deurzen, H. Dittmaier, S. Frederix, R. Frixione, S. Garzelli, M. V. Gieseke, S. Glover, E. W. N. Greiner, N. Heinrich, G. Hirschi, V. Hoeche, S. Alioli, S. Badger, S. Bellm, J. Biedermann, B. Boudjema, F. Cullen, G. Denner, A. van Deurzen, H. Dittmaier, S. Frederix, R. Frixione, S. Garzelli, M. V. Gieseke, S. Glover, E. W. N. Greiner, N. Heinrich, G. Hirschi, V. Hoeche, S. Huston, J. Ita, H. Kauer, N. Krauss, F. Luisoni, G. Maitre, D. Maltoni, F. Nason, P. Oleari, C. Pittau, R. Plaetzer, S. Pozzorini, S. Reina, L. Reuschle, C. Robens, T. Schlenk, J. Schoenherr, M. Siegert, F. von Soden-Fraunhofen, J. F. Tackmann, F. Tramontano, F. Uwer, P. Salam, G. Skands, P. Weinzierl, S. Winter, J. Yundin, V. Zanderighi, G. Zaro, M. TI Update of the Binoth Les Houches Accord for a standard interface between Monte Carlo tools and one-loop programs SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE NLO computations; Monte Carlo programs; Collider physics; Automation; Les Houches Accord ID MULTI-JET PRODUCTION; QCD CORRECTIONS; NLO QCD AB We present an update of the Binoth Les Houches Accord (BLHA) to standardise the interface between Monte Carlo programs and codes providing one-loop matrix elements. (C) 2013 Elsevier B.V. All rights reserved. C1 [Alioli, S.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Alioli, S.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Badger, S.; Yundin, V.] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Bellm, J.; Gieseke, S.; Reuschle, C.] Karlsruhe Inst Technol, D-76131 Karlsruhe, Germany. [Biedermann, B.; Uwer, P.] Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. [Boudjema, F.] Univ Savoie, LAPTH, F-74941 Annecy Le Vieux, France. [Boudjema, F.] CNRS, F-74941 Annecy Le Vieux, France. [Cullen, G.] Deutsch Elekt Synchrotron DESY, D-15738 Zeuthen, Germany. [Denner, A.] Univ Wurzburg, Inst Theoret Phys & Astrophys, D-97074 Wurzburg, Germany. [van Deurzen, H.; Greiner, N.; Heinrich, G.; Luisoni, G.; von Soden-Fraunhofen, J. F.; Winter, J.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Dittmaier, S.; Ita, H.; Siegert, F.] Albert Ludwigs Univ Freiburg, D-79104 Freiburg, Germany. [Frederix, R.; Frixione, S.; Salam, G.; Skands, P.] CERN PH, CH-1211 Geneva 23, Switzerland. [Garzelli, M. V.] Univ Nova Gor, SI-5000 Nova Gorica, Slovenia. [Frixione, S.; Hirschi, V.] ITTP, EPFL, CH-1015 Lausanne, Switzerland. [Hoeche, S.] Stanford Univ, SLAC, Stanford, CA 94309 USA. [Huston, J.] Michigan State Univ, E Lansing, MI 48840 USA. [Kauer, N.] Univ London, Dept Phys, Egham TW20 0EX, Surrey, England. [Glover, E. W. N.; Krauss, F.; Maitre, D.; Schoenherr, M.] Univ Durham, Inst Particle Phys Phenomenol, Durham DH1 3LE, England. [Maltoni, F.; Zaro, M.] Catholic Univ Louvain, CP3, B-1348 Louvain, Belgium. [Pittau, R.] Univ Granada, Dept Fis Teor & Cosmos CAFPE, E-18071 Granada, Spain. [Oleari, C.] Univ Milano Bicocca, Sez Milano Bicocca, I-20126 Milan, Italy. [Nason, P.; Oleari, C.] INFN, Sez Milano Bicocca, I-20126 Milan, Italy. [Plaetzer, S.; Tackmann, F.] DESY, Hamburg, Germany. [Pozzorini, S.] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. [Reina, L.] Florida State Univ, Tallahassee, FL 32306 USA. [Robens, T.] Tech Univ Dresden, D-01062 Dresden, Germany. [Tramontano, F.] Univ Napoli Feder II, Dipartimento Sci Fis, I-80125 Naples, Italy. [Tramontano, F.] INFN, Sez Napoli, I-80125 Naples, Italy. [Weinzierl, S.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Zanderighi, G.] Rudolf Peierls Ctr Theoret Phys, Oxford OX1 3PN, England. RP Heinrich, G (reprint author), Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. EM gudrun@mpp.mpg.de RI Tramontano, Francesco/L-9415-2015; Pittau, Roberto/E-7953-2016; Alioli, Simone/Q-4971-2016; OI Tramontano, Francesco/0000-0002-3629-7964; Pittau, Roberto/0000-0003-1365-2959; Alioli, Simone/0000-0001-8234-2247; Oleari, Carlo/0000-0003-3526-9280; Nason, Paolo/0000-0001-9250-246X; Salam, Gavin/0000-0002-2655-4373; Hoeche, Stefan/0000-0002-1370-6059; Skands, Peter/0000-0003-0024-3822; Denner, Ansgar/0000-0002-7179-1132; Krauss, Frank/0000-0001-5043-3099 NR 40 TC 20 Z9 20 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD FEB PY 2014 VL 185 IS 2 BP 560 EP 571 DI 10.1016/j.cpc.2013.10.020 PG 12 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 287JG UT WOS:000329537500014 ER PT J AU TenBarge, JM Howes, GG Dorland, W Hammett, GW AF TenBarge, J. M. Howes, G. G. Dorland, W. Hammett, G. W. TI An oscillating Langevin antenna for driving plasma turbulence simulations SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Numerical methods; Langevin; Turbulence; Plasma ID ELECTRON MAGNETOHYDRODYNAMIC TURBULENCE; MEAN MAGNETIC-FIELD; SOLAR-WIND; ASTROPHYSICAL GYROKINETICS; ALFVENIC TURBULENCE; HYDROMAGNETIC TURBULENCE; HYDRODYNAMIC TURBULENCE; INTERSTELLAR TURBULENCE; WAVE TURBULENCE; INERTIAL-RANGE AB A unique method of driving Alfvenic turbulence via an oscillating Langevin antenna is presented. This method of driving is motivated by a desire to inject energy into a finite domain numerical simulation in a manner that models the nonlinear transfer of energy from fluctuations in the turbulent cascade at scales larger than the simulation domain. The oscillating Langevin antenna is shown to capture the essential features of the larger scale turbulence and efficiently couple to the plasma, generating steady-state turbulence within one characteristic turnaround time. The antenna is also sufficiently flexible to explore both strong and weak regimes of Alfvenic plasma turbulence. (C) 2013 Elsevier B.V. All rights reserved. C1 [TenBarge, J. M.; Dorland, W.] Univ Maryland, IREAP, College Pk, MD 20742 USA. [Howes, G. G.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Hammett, G. W.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP TenBarge, JM (reprint author), Univ Maryland, IREAP, College Pk, MD 20742 USA. EM jason.tenbarge@gmail.com RI Hammett, Gregory/D-1365-2011 OI Hammett, Gregory/0000-0003-1495-6647 FU NSF CAREER Award [AGS-1054061]; NSF grant [PHY-10033446] FX Support was provided by NSF CAREER Award AGS-1054061 and NSF grant PHY-10033446. NR 83 TC 7 Z9 7 U1 4 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD FEB PY 2014 VL 185 IS 2 BP 578 EP 589 DI 10.1016/j.cpc.2013.10.022 PG 12 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 287JG UT WOS:000329537500016 ER PT J AU Stamps, D Tieszen, S AF Stamps, Douglas Tieszen, Sheldon TI Blowout of turbulent jet diffusion flames SO FUEL LA English DT Article DE Blowout experiment; Stability limit; Diffusion flame ID BURNING VELOCITIES; STABILIZATION MECHANISM; PREMIXED FLAMES; DIMETHYL ETHER; MIXING RULE; STABILITY; HYDROGEN; AIR; PREDICTION; MIXTURES AB Experiments have been performed to determine the blowout of jet diffusion flames with pure fuels, oxygenated fuels, mixed fuels, and diluted fuels. Stability tests were conducted with pure hydrocarbons at the C-2 level to determine the effects of structural differences in the fuels. Diffusion flame blowout models were also used to correlate and interpret the data. Ethylene is more stable than ethane because of the additional heat release from the double-carbon bond and ethane is more stable than dimethyl ether. The blowout pressures of mixtures of ethylene and ethane are not linear contributions of component blowout pressures. Stability tests were conducted with ethylene diluted with air and nitrogen. Since both diluents have similar properties and also have a similar density to ethylene, factors in the blowout process, such as the laminar flame speed and air-fuel mass ratio, were isolated and measured. Stability tests with hydrogen diluted with helium, nitrogen, carbon dioxide, and sulfur hexafluoride were also conducted. The diluted hydrogen diffusion flames become less stable as the complexity of the diluent increases. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Stamps, Douglas] Univ Evansville, Dept Mech & Civil Engn, Evansville, IN 47722 USA. [Tieszen, Sheldon] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Stamps, D (reprint author), Univ Evansville, Dept Mech & Civil Engn, 1800 Lincoln Ave, Evansville, IN 47722 USA. EM ds38@evansville.edu FU Lockheed Martin Corp. for the US Department of Energy [DE-AC04-94AL85000]; University of Evansville's Global Scholar program FX The authors would like to thank Rod Oliver for preparation of the test apparatus and assistance in obtaining the data. This research was sponsored by the laboratory directed research and development program at Sandia National Laboratories, which is run by Lockheed Martin Corp. for the US Department of Energy under Contract DE-AC04-94AL85000. Support of this project through the University of Evansville's Global Scholar program is also gratefully acknowledged. NR 50 TC 2 Z9 2 U1 0 U2 7 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 EI 1873-7153 J9 FUEL JI Fuel PD FEB PY 2014 VL 118 BP 113 EP 122 DI 10.1016/j.fuel.2013.10.030 PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 281QR UT WOS:000329116600016 ER PT J AU Chupka, GM Fouts, L Lennon, JA Alleman, TL Daniels, DA McCormick, RL AF Chupka, G. M. Fouts, L. Lennon, J. A. Alleman, T. L. Daniels, D. A. McCormick, R. L. TI Saturated monoglyceride effects on low-temperature performance of biodiesel blends SO FUEL PROCESSING TECHNOLOGY LA English DT Article DE Biodiesel blends; Low-temperature; Cloud point; Saturated monoglyceride ID CRYSTALLIZATION; ADDITIVES; PHASES AB The effect of saturated monoglyceride (SMG) content of four B100s on the cloud point (CP) of blends with four diesel fuels was examined. Detecting CP with a more sensitive light-scattering method allowed observation of an early (higher temperature) CP in blends containing approximately 0.01 wt.% to 0.03 wt.% SMG. Blend samples with SMG content in this range may be particularly prone to unexpected filter clogging above the measured CP. Results for a 140 blend sample matrix revealed that SMG content had a larger effect on CP than other blend properties. An increase of 0.01 wt.% SMG in a biodiesel blend increased CP by as much as 4 degrees C. At a constant SMG level, increasing biodiesel content lowered CP, as did increasing the diesel fuel aromatic content, by improving the solubility of SMG. This implies that lowering the SMG content of a B100 allows preparation of higher biodiesel content blends having the same or lower CP. Increasing the unsaturated monoglyceride-to-SMG ratio by blending in monoolein lowered CP, presumably because monoolein inhibits nucleation of SMG. In most blends with SMG content above 0.01 wt.%, polymorphic phase transformation of crystallized SMG (converting from the metastable alpha-form to the less soluble, stable beta-form) was observed. (C) 2013 The Authors. Published by Elsevier B.V. All rights reserved. C1 [Chupka, G. M.; Fouts, L.; Alleman, T. L.; McCormick, R. L.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Lennon, J. A.; Daniels, D. A.] Innospec Fuel Specialties LLC, St Petersburg 197022, Russia. RP Chupka, GM (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkway MS1634, Golden, CO 80401 USA. EM gina.chupka@nrel.gov RI McCormick, Robert/B-7928-2011 FU U.S. Department of Energy, Office of Vehicle Technologies, Fuels and Lubricants Technologies Program [DEAC36-99GO10337]; National Renewable Energy Laboratory; National Biodiesel Board FX This work was supported by the U.S. Department of Energy, Office of Vehicle Technologies, Fuels and Lubricants Technologies Program under Contract no. DEAC36-99GO10337 with the National Renewable Energy Laboratory. Funding was also provided by the National Biodiesel Board. The authors wish to thank Dr. Gordon Chiu of Phase Technology for comments on the manuscript. NR 22 TC 8 Z9 8 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-3820 EI 1873-7188 J9 FUEL PROCESS TECHNOL JI Fuel Process. Technol. PD FEB PY 2014 VL 118 BP 302 EP 309 DI 10.1016/j.fuproc.2013.10.002 PG 8 WC Chemistry, Applied; Energy & Fuels; Engineering, Chemical SC Chemistry; Energy & Fuels; Engineering GA 285HJ UT WOS:000329384200039 ER PT J AU Walker, BD Guilderson, TP Okimura, KM Peacock, MB McCarthy, MD AF Walker, B. D. Guilderson, T. P. Okimura, K. M. Peacock, M. B. McCarthy, M. D. TI Radiocarbon signatures and size-age-composition relationships of major organic matter pools within a unique California upwelling system SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID DISSOLVED INORGANIC RADIOCARBON; NORTHEAST PACIFIC-OCEAN; MONTEREY-BAY; TIME-SERIES; SOUTHERN CALIFORNIA; CARBON-CYCLE; PARTICULATE; VARIABILITY; DELTA-C-13; PHYTOPLANKTON AB Coastal upwelling zones are among the most productive regions in the world and play a major role in the global carbon cycle. Radiocarbon (as Delta C-14) is a powerful tool for tracing the source and fate of suspended particulate and dissolved organic matter (POM, DOM), and has the potential to reconcile key carbon budgets within upwelling systems. However, the extent to which upwelling processes influence the Delta C-14 signature of surface DIC, or that of POM or DOM remains almost completely unknown. Here we present a time series of stable carbon (delta C-13) and Delta C-14 isotopic data of major water column carbon pools, including dissolved inorganic carbon (DIC), large (0.7-500 mu m) and small (0.1-100 mu m) POM, and high molecular weight (HMW; similar to 1 nm-0.1 mu m) DOM from an upwelling center along the Big Sur coast. We show that DIC Delta C-14 values (ranging between +29 parts per thousand and -14 parts per thousand) are strongly correlated to coastal upwelling processes, and that this 14 C-signal readily propagates into both the POM and HMW DOM pool. However, the presence of negative POM and HMW DOM Delta C-14 values (ranging between + 46 parts per thousand and -56 parts per thousand, + 6 parts per thousand and -123 parts per thousand and -1 parts per thousand and -150 parts per thousand, respectively) suggests contributions of "pre-aged" OM, complicating the direct use of "bulk" Delta C-14 for tracing upwelling-derived carbon production/export. Using a triple-isotope mixing model (delta C-13, delta N-15, Delta C-14) we estimate that 50-90% and 45-51% of large and small POM is newly-produced OM, while between 6-22% and 12-44% of large and small POM are derived from "pre-aged" re-suspended sediments. Finally, we observe quantitative relationships between OM size, composition (C:N ratio) and Delta C-14 within this upwelling system, possibly representing a new tool for modeling ocean C and N biogeochemical cycles. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Walker, B. D.; Guilderson, T. P.; Okimura, K. M.; Peacock, M. B.; McCarthy, M. D.] Univ Calif Santa Cruz, Dept Ocean Sci, Santa Cruz, CA 95064 USA. [Guilderson, T. P.] Lawrence Livermore Natl Lab, CAMS, Livermore, CA 94551 USA. RP Walker, BD (reprint author), Univ Calif Irvine, Dept Earth Syst Sci, 3200 Croul Hall, Irvine, CA 92697 USA. EM brett.walker@uci.edu FU Friends of Long Marine Lab Student Research Awards; UC Santa Cruz STEPS Institute for Innovation in Environmental Research; UC Santa Cruz Center for the Dynamics and Evolution of the Land-Sea Interface; Earl H. Myers and Ethel M. Myers Oceanographic and Marine Biology Trust; UC Santa Cruz Institute of Geophysics and Planetary Physics; U.S. Department of Energy [W-7405-Eng-48, DE-AC52-07NA27344] FX We gratefully acknowledge Bryn Phillips, Katie Seigler and the staff of the Granite Canyon Marine Pollution Studies Laboratory (GCMPSL) for providing facilities capable of biweekly and large-volume seawater DOM and suspended POM isolations. Jennifer Lehman, Leslie Roland, Kona Walker, Gemma Vila Reixach, and Maria Calleja (UC Santa Cruz) for help with fieldwork and sample collection. Dyke Andreasen of the UC Santa Cruz Stable Isotope Laboratory for help with CHN and stable isotopic analysis. We also thank three anonymous reviewers for their insightful comments. This work was funded by the Friends of Long Marine Lab Student Research Awards (to B. D. W.), the UC Santa Cruz STEPS Institute for Innovation in Environmental Research (to B. D. W.), the UC Santa Cruz Center for the Dynamics and Evolution of the Land-Sea Interface (to B. D. W.), the Earl H. Myers and Ethel M. Myers Oceanographic and Marine Biology Trust (to B. D. W.), and the UC Santa Cruz Institute of Geophysics and Planetary Physics (to B. D. W. and M. D. M.). A portion of this work was performed under the auspices of the U.S. Department of Energy (contract W-7405-Eng-48 and DE-AC52-07NA27344). NR 72 TC 8 Z9 8 U1 3 U2 29 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 FEB 1 PY 2014 VL 126 BP 1 EP 17 DI 10.1016/j.gca.2013.10.039 PG 17 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 286YI UT WOS:000329504800001 ER PT J AU Godinho, JRA Piazolo, S Balic-Zunic, T AF Godinho, J. R. A. Piazolo, S. Balic-Zunic, T. TI Importance of surface structure on dissolution of fluorite: Implications for surface dynamics and dissolution rates SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID MINERAL DISSOLUTION; KINETICS; CALCITE; ORIENTATION; STABILITY; QUARTZ; FORCE; FIELD; MODEL; CAF2 AB Dissolution rates are usually calculated as a function of surface area, which is assumed to remain constant ignoring the changes occurring on the surface during dissolution. Here we present a study of how topography of natural fluorite surfaces with different orientation changes during up to 3200 h of dissolution. Results are analyzed in terms of changes in surface area, surface reactivity and dissolution rates. All surfaces studied present fast changes in topography during the initial 200 h of dissolution. The controlling factors that cause the development of topography are the stability of the step edges forming the initial surface and its inclination to the closest stable planes, which are specific for each surface orientation. During an initial dissolution regime dissolution rates decrease significantly, even though the total surface area increases. During a second dissolution regime, some surfaces continue to present significant changes in topography, while for others the topography tends to remain approximately constant. The observed variation of dissolution rates are attributed to a decrease of the density of step edges on the surface and the continuous increase in exposure of more stable surfaces. Calculations of dissolution rates, which assume that dissolution rates are directly proportional to surface area, are not valid for the type of surfaces studied. Instead, to develop accurate kinetic dissolution models and more realistic stochastic dissolution simulations the surface reactivity, determined by the relative stability of the planes and type of edges that constitute a surface needs to be considered. Significant differences between dissolution rates calculated based on surface area alone, and based on surface reactivity are expected for materials with the fluorite structure. Published by Elsevier Ltd. C1 [Godinho, J. R. A.; Piazolo, S.] Stockholm Univ, Dept Geol Sci, Stockholm, Sweden. [Godinho, J. R. A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Piazolo, S.] Macquarie Univ, Australian Res Council Ctr Excellence Core Crust, Dept Earth & Planetary Sci, N Ryde, NSW 2109, Australia. [Balic-Zunic, T.] Univ Copenhagen, Nat Hist Museum, DK-1168 Copenhagen, Denmark. RP Godinho, JRA (reprint author), Stockholm Univ, Dept Geol Sci, Stockholm, Sweden. EM jose.godinho@geo.su.se; sandra.piazolo@mq.edu.au; toncib@snm.ku.dk RI Balic-Zunic, Tonci/A-6362-2013; OI Balic-Zunic, Tonci/0000-0003-1687-1233; Piazolo, Sandra/0000-0001-7723-8170 FU EU Initial Training Network Delta-Min (Mechanisms of Mineral Replacement Reactions) grant [PITN-GA-2008-215360]; Swedish Nuclear Fuel and Waste Management Co (SKB); Knut och Alice Wallenberg stiftelse; Australian Research Council [DP120102060, FT1101100070] FX This work has been financially supported by the EU Initial Training Network Delta-Min (Mechanisms of Mineral Replacement Reactions) grant PITN-GA-2008-215360 and the Swedish Nuclear Fuel and Waste Management Co (SKB). The Knut och Alice Wallenberg stiftelse is acknowledged for funding the ESEM set-up. S. P. acknowledges the financial support by the Australian Research Council through DP120102060 and FT1101100070. This is contribution 364 from the ARC Centre of Excellence for Core to Crust Fluid Systems (http://www.ccfs.mq.edu.au) and 914 in the GEMOC Key Centre (http://www.gemoc.mq.edu.au). C. V. Putnis is acknowledged for her help during the AFM analyses. NR 33 TC 7 Z9 7 U1 1 U2 20 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 FEB 1 PY 2014 VL 126 BP 398 EP 410 DI 10.1016/j.gca.2013.11.017 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 286YI UT WOS:000329504800023 ER PT J AU Ruane, AC McDermid, S Rosenzweig, C Baigorria, GA Jones, JW Romero, CC Cecil, LD AF Ruane, Alex C. McDermid, Sonali Rosenzweig, Cynthia Baigorria, Guillermo A. Jones, James W. Romero, Consuelo C. Cecil, L. DeWayne TI Carbon-Temperature-Water change analysis for peanut production under climate change: a prototype for the AgMIP Coordinated Climate-Crop Modeling Project (C3MP) SO GLOBAL CHANGE BIOLOGY LA English DT Article DE AgMIP; agriculture; C3MP; climate change; climate impacts; crop model; carbon dioxide; temperature; and water; impacts response surface ID IMPACTS; YIELDS; UNCERTAINTIES; INFORMATION; WHEAT; US AB Climate change is projected to push the limits of cropping systems and has the potential to disrupt the agricultural sector from local to global scales. This article introduces the Coordinated Climate-Crop Modeling Project (C3MP), an initiative of the Agricultural Model Intercomparison and Improvement Project (AgMIP) to engage a global network of crop modelers to explore the impacts of climate change via an investigation of crop responses to changes in carbon dioxide concentration ([CO2]), temperature, and water. As a demonstration of the C3MP protocols and enabled analyses, we apply the Decision Support System for Agrotechnology Transfer (DSSAT) CROPGRO-Peanut crop model for Henry County, Alabama, to evaluate responses to the range of plausible [CO2], temperature changes, and precipitation changes projected by climate models out to the end of the 21st century. These sensitivity tests are used to derive crop model emulators that estimate changes in mean yield and the coefficient of variation for seasonal yields across a broad range of climate conditions, reproducing mean yields from sensitivity test simulations with deviations of ca. 2% for rain-fed conditions. We apply these statistical emulators to investigate how peanuts respond to projections from various global climate models, time periods, and emissions scenarios, finding a robust projection of modest (<10%) median yield losses in the middle of the 21st century accelerating to more severe (>20%) losses and larger uncertainty at the end of the century under the more severe representative concentration pathway (RCP8.5). This projection is not substantially altered by the selection of the AgMERRA global gridded climate dataset rather than the local historical observations, differences between the Third and Fifth Coupled Model Intercomparison Project (CMIP3 and CMIP5), or the use of the delta method of climate impacts analysis rather than the C3MP impacts response surface and emulator approach. C1 [Ruane, Alex C.; McDermid, Sonali; Rosenzweig, Cynthia] NASA, Goddard Inst Space Studies, Climate Impacts Grp, New York, NY 10025 USA. [McDermid, Sonali] Oak Ridge Associated Univ, NASA, Postdoctoral Program, Oak Ridge, TN USA. [Baigorria, Guillermo A.; Romero, Consuelo C.] Univ Nebraska, Sch Nat Resources, Lincoln, NE USA. [Baigorria, Guillermo A.] Univ Nebraska, Dept Agron & Hort, Lincoln, NE USA. [Jones, James W.] Univ Florida, Dept Agr & Biol Engn, Gainesville, FL USA. [Cecil, L. DeWayne] Global Sci & Technol Inc, Asheville, NC USA. RP Ruane, AC (reprint author), NASA, Goddard Inst Space Studies, Climate Impacts Grp, New York, NY 10025 USA. EM alexander.c.ruane@nasa.gov FU US Department of Agriculture; UK Department for International Development; UK Agency for International Development; NASA [NNX10AO10G] FX We thank the AgMIP Community and in particular the other members of the AgMIP Leadership Team for their useful feedback on early versions of the C3MP concept. We also thank Tim Carter for providing the initial motivation to investigate core agroclimatic sensitivity on a large scale, Reimund Rotter for helpful discussions in the early phases, and Matthew Jones, Davide Cammarano, Simona Bassu, and Gerrit Hoogenboom for their helpful comments on C3MP procedures. We also appreciate the comments provided by two anonymous reviewers. We acknowledge the World Climate Research Programme's Working Group on Coupled Modelling, which is responsible for CMIP, and we thank the climate modeling groups for producing and making available their model output. For CMIP, the US Department of Energy's Program for Climate Model Diagnosis and Intercomparison provides coordinating support and led development of software infrastructure in partnership with the Global Organization for Earth System Science Portals. We thank the US Department of Agriculture and the UK Department for International Development and UK Agency for International Development for their support of AgMIP. Funding for the development of the Henry and Washington County peanut model simulations was provided by NASA under grant NNX10AO10G. NR 46 TC 11 Z9 11 U1 2 U2 43 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 EI 1365-2486 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD FEB PY 2014 VL 20 IS 2 BP 394 EP 407 DI 10.1111/gcb.12412 PG 14 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 284VQ UT WOS:000329349700006 PM 24115520 ER PT J AU Chen, J Zhang, W Feng, ZL Cai, WN AF Chen, Jian Zhang, Wei Feng, Zhili Cai, Wayne TI Determination of thermal contact conductance between thin metal sheets of battery tabs SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE Thermal contact conductance; Thin metal sheets; Pulsed heating; Infrared thermography ID JOINT RESISTANCE; MODELS AB A novel method combining experimental test and heat transfer modeling was developed to determine the thermal contact conductance (TCC) between thin metal sheets as a function of contact pressures. In the experiment, thin metal samples were sandwiched between one white light transparent and one infrared (IR) transparent glass disks pressed together under different pressure levels. The metal stack was then heated up from the white light transparent side by an intense short pulse of flash light. The temperature transient on the other side was measured by an IR camera. To obtain a value of TCC, two separate experiments having different layers of thin sheet materials were performed and the values of maximum temperature rise were measured. Numerical heat transfer modeling was used to calculate the temperature evolution in the stack-up comprised of metal layers sandwiched between two glass disks. The heat transfer calculation results showed that TCC had a strong correlation to the ratio of maximum temperature rise between the two experiment configurations, but it was insensitive to the variations of other thermal properties. Thus, for a given pair of metal sheets in contact, a unique correlation between the TCC and the ratio of temperature rise was established using the heat transfer calculation. Such correlation allows the direct determination of the TCC value from the ratio of the experimentally measured temperature rise. The TCC between three types of thin metal sheets (i.e., 0.2-mm-thick Al, 0.2-mm-thick Cu and 0.9-mm-thick Cu) were measured and compared with the available literature data. Published by Elsevier Ltd. C1 [Chen, Jian; Zhang, Wei; Feng, Zhili] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Zhang, Wei] Ohio State Univ, Columbus, OH 43221 USA. [Cai, Wayne] GM Global R&D, Mfg Syst Res Lab, Adv Prop Mfg Res Grp, Warren, MI 48090 USA. RP Chen, J (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM chenj2@ornl.gov; zhang.3978@osu.edu; fengz@ornl.gov; wayne.cai@gm.com RI Zhang, Wei/B-9471-2013; Feng, Zhili/H-9382-2012 OI Feng, Zhili/0000-0001-6573-7933 FU U.S. Government [DE-EE0002217]; U.S. Department of Energy, Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies; US Department of Energy [DE-AC05- 00OR22725] FX This study was partially sponsored by U.S. Government under an Agreement/Project DE-EE0002217, Department of Energy Recovery and Reinvestment Act of 2009, Battery Pack Manufacturing. It was also sponsored in part by the U.S. Department of Energy, Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the US Department of Energy under contract DE-AC05- 00OR22725. NR 19 TC 8 Z9 8 U1 1 U2 14 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 FEB PY 2014 VL 69 BP 473 EP 480 DI 10.1016/j.ijheatmasstransfer.2013.10.042 PG 8 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 287OU UT WOS:000329552900047 ER PT J AU Thiagarajan, SJ Narumanchi, S Yang, RG AF Thiagarajan, Suraj Joottu Narumanchi, Sreekant Yang, Ronggui TI Effect of flow rate and subcooling on spray heat transfer on microporous copper surfaces SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE Electronics cooling; Spray heat transfer; Surface enhancements; Microporous surface; Phase-change heat transfer; HFE-7100 ID COATED SURFACES; SINGLE-NOZZLE; FLUX; MANAGEMENT; FC-72; CHF AB In this work, we experimentally investigated spray boiling heat transfer performance with degassed HFE-7100 as the coolant on a conductive microporous copper surface, and observed enhanced heat transfer performance compared to that on a plain surface. Spray heat transfer data were measured using two full-cone spray nozzles spanning a range of volumetric flow rate from 1.1 cm(3)/s to 15.8 cm(3)/s. We also investigated the effect of different liquid subcooling levels ranging from 30 degrees C to 0 degrees C on the heat transfer data. Spray impingement on the microporous surface showed an enhancement of 300-600% in the heat transfer coefficient at a given wall superheat compared to spray impingement on a plain surface. The critical heat flux also increased by up to 80% for the case of spray impingement on a microporous coated surface as compared to impingement on a plain surface, depending on the flow rates and the subcooling levels. Contrary to the results in the literature, for a given nozzle we observed that the liquid spray at near-saturated temperature (0 degrees C subcooling) had higher heat transfer performance and critical heat flux than the subcooled spray on both plain and microporous surfaces except at the lowest flow rates. This likely results from the limited residence time of the liquid droplets in contact with the heater surface and the much higher efficiency of phase change heat transfer. The near-saturated spray undergoes phase change much faster than the subcooled liquid, removing heat more efficiently than the subcooled liquid. A modified correlation, based on the Estes-Mudawar correlation (1995) 122], utilizing the experimental data from the present study and literature is proposed for the critical heat flux for spray impingement on both plain and microporous surfaces. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Thiagarajan, Suraj Joottu; Yang, Ronggui] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [Narumanchi, Sreekant] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Narumanchi, S (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM Suraj.Thiagarajan@Colorado.edu; Sreekant.Narumanchi@NREL.gov; Ronggui.Yang@Colorado.edu RI Yang, Ronggui/H-1278-2011; OI Narumanchi, Sreekant/0000-0001-5337-6069 FU National Renewable Energy Laboratory (NREL) FX This work was performed under a subcontract from the National Renewable Energy Laboratory (NREL) to the University of Colorado Boulder. The authors thank the support of Susan Rogers and Steven Boyd, program managers of the U.S. Department of Energy Advanced Power Electronics and Electric Motors Program, Vehicle Technologies Office. The authors also thank Charlie King and Gilbert Moreno (NREL) for fruitful discussions and help with the experimental apparatus, as well as Phil Tuma (3M), who generously supplied the target surfaces with the microporous coatings. NR 36 TC 8 Z9 8 U1 2 U2 16 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 FEB PY 2014 VL 69 BP 493 EP 505 DI 10.1016/j.ijheatmasstransfer.2013.09.033 PG 13 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 287OU UT WOS:000329552900049 ER PT J AU Frank, P Hedman, B Hodgson, KO AF Frank, Patrick Hedman, Britt Hodgson, Keith O. TI XAS spectroscopy, sulfur, and the brew within blood cells from Ascidia ceratodes SO JOURNAL OF INORGANIC BIOCHEMISTRY LA English DT Article DE XAS; Ascidian; Sulfur; Speciation; emf; Blood cells ID X-RAY-ABSORPTION; DENSITY-GRADIENT CENTRIFUGATION; ELECTRON-PARAMAGNETIC-RES; FROZEN AQUEOUS-SOLUTIONS; SULFATE-BINDING PROTEIN; VANADYL ION; WHOLE-BLOOD; SALMONELLA-TYPHIMURIUM; SYDNEIENSIS-SAMEA; NATURAL-PRODUCTS AB We report the first use of K-edge X-ray absorption spectroscopy (XAS) as a direct spectroscopic probe of pH and cytosolic emf within living cells. A new accuracy metric of model-based fits to K-edge spectra is further developed. Sulfur functional groups in three collections of living blood cells and one sample of cleared blood plasma from the tunicate Ascidia ceratodes were speciated using K-edge XAS. Cysteine and cystine, the preferred thiol-disulfide model, averaged about 12% of total sulfur. Sulfate monoesters and cyclic diesters unexpectedly constituted 36% of blood cell sulfur. Soluble sulfate averaged about 25% across the three blood cell samples, while the ratio of Sa(4)(2-) to HSO4- implied average signet ring vacuolar pH values of 0.85, 1.4, or 3.1. Intracellular (VSO4)(+) was unobserved, while [V(RSO3)(n)]((3) (-) (n)+) was detected in the two lowest pH blood cell samples. About 5% of sulfur was distributed as mono- or dibenzothiophene or ethylene-epi-sulfide, or as a thiadiazole reminiscent of the polycarpathiamines. Blood plasma was dominated by sulfate (83%), but with 15% of an alkylsulfate ester and about 2% of low-valent sulfur. Gravimetric analysis of soluble sulfate yielded average concentrations of blood cell sulfur. Average [cysteine] and [cystine] (ranging similar to 10-30 mM and similar to 20-90 mM, respectively) implied blood-cell cytosolic emf values of approximately -0.20 V. High cellular [cysteine] is consistent with the proposed model for enzymatic reduction of vanadate by endogenous thiol, wherein the trajectory of metal site-symmetry is controlled and directed through to a thermodynamically favored 7-coordinate V(III) product. (C) 2013 Elsevier Inc All rights reserved. C1 [Frank, Patrick; Hodgson, Keith O.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Frank, Patrick; Hedman, Britt] Stanford Univ, SLAC, Stanford Synchrotron Radiat Lightsource, Stanford, CA 94309 USA. [Hodgson, Keith O.] Stanford Univ, SLAC Natl Accelerator Lab, Stanford, CA 94309 USA. RP Frank, P (reprint author), Stanford Univ, SLAC, Stanford Synchrotron Radiat Lightsource, Stanford, CA 94309 USA. EM pfrank@slac.stanford.edu FU Department of Energy, Office of Basic Energy Sciences Division; National Institutes of Health, National Center for Research; Department of Energy, Office of Biological and Environmental Research (OBER); NIH; Biomedical Technology Program; DOE OBER; [NIH RR-01209] FX This work was supported by grant NIH RR-01209 (to Keith O. Hodgson and Britt Hedman, Department of Chemistry and SLAC, Stanford University). XAS data were measured at SSRL, which is supported by the Department of Energy, Office of Basic Energy Sciences Division, by the National Institutes of Health, National Center for Research, and by the Department of Energy, Office of Biological and Environmental Research (OBER). The SSRL Structural Molecular Biology Program is supported by the NIH, by the Biomedical Technology Program, and by the DOE OBER. The work is solely the responsibility of the authors and does not necessarily represent the official view of NIH. NR 89 TC 3 Z9 3 U1 2 U2 14 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0162-0134 EI 1873-3344 J9 J INORG BIOCHEM JI J. Inorg. Biochem. PD FEB PY 2014 VL 131 BP 99 EP 108 DI 10.1016/j.jinorgbio.2013.11.004 PG 10 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA 289KT UT WOS:000329682100014 PM 24333825 ER PT J AU Falabella, S Tang, V Ellsworth, JL Mintz, JM AF Falabella, S. Tang, V. Ellsworth, J. L. Mintz, J. M. TI Protective overcoatings on thin-film titanium targets for neutron generators SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Neutron generator; Thin film; Target coating; Deuterium loading AB We have developed a thin-film coating for neutron generator targets that can be loaded with deuterium or tritium at low temperatures (100 degrees C), and at gas/Ti ratios greater than 1.7. The key to this improvement is the addition of a thin palladium overcoat at the end of the titanium deposition. This overcoat prevents the oxidation of the titanium film, yet still allows loading to take place at low temperatures. A palladium overcoat of just 50-100 angstrom is sufficient to protect the titanium, while presenting a minimal energy loss to incident ions. We have just begun producing targets using this method, and see the possibility of substantial improvement in neutron generator efficiencies. (C) 2013 Elsevier B.V. All rights reserved. C1 [Falabella, S.; Tang, V.; Ellsworth, J. L.; Mintz, J. M.] LLNL, Livermore, CA 94550 USA. RP Falabella, S (reprint author), LLNL, L-340, Livermore, CA 94550 USA. EM sfalabella@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Lawrence Livermore National Security, LLC; U.S. Department of Energy, NA-22 Office of Nonproliferation Research and Development, under the Special Nuclear Materials Movement and Detection portfolio 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, Lawrence Livermore National Security, LLC, and supported by the U.S. Department of Energy, NA-22 Office of Nonproliferation Research and Development, under the Special Nuclear Materials Movement and Detection portfolio. A patent application is pending. NR 7 TC 2 Z9 2 U1 2 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD FEB 1 PY 2014 VL 736 BP 107 EP 111 DI 10.1016/j.nima.2013.10.045 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 285OS UT WOS:000329404000013 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 Benabderrahmane, ML BenZvi, S Berghaus, P Berley, D Bernardini, E Bernhard, A 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 Bretz, HP Brown, AM Bruijn, R Brunner, J Carson, M Casey, J Casier, M Chirkin, D Christov, A Christy, B Clark, K Clevermann, F Coenders, S Cohen, S Cowen, DF Silva, AHC Danninger, M Daughhetee, J Davis, JC Day, M De Clercq, C De Ridder, S Desiati, P de Vries, KD de With, M DeYoung, T Diaz-Velez, JC Dunkman, M Eagan, R Eberhardt, B Eisch, J 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 Frantzen, K Fuchs, T Gaisser, TK Gallagher, J Gerhardt, L Gladstone, L Glusenkamp, T Goldschmidt, A Golup, G Gonzalez, JG Goodman, JA Gora, D Grandmont, DT Grant, D Gross, A Ha, C Ismail, AH Hallen, P Hallgren, A Halzen, F Hanson, K Heereman, D 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 Jagielski, K Japaridze, GS Jero, K Jlelati, O Kaminsky, B Kappes, A Karg, T Karle, A Kelley, JL Kiryluk, J Klas, J Klein, SR Kohne, JH Kohnen, G Kolanoski, H Kopke, L Kopper, C Kopper, S Koskinen, DJ Kowalski, M Krasberg, M Krings, K Kroll, G Kunnen, J Kurahashi, N Kuwabara, T Labare, M Landsman, H Larson, MJ Lesiak-Bzdak, M Leuermann, M Leute, J Lunemann, J Macias, O Madsen, J Maggi, G Maruyama, R Mase, K Matis, HS McNally, F Meagher, K Merck, M 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 Omairat, A O'Murchadha, A Paul, L Pepper, JA de los Heros, CP Pfendner, C Pieloth, D Pinat, E Posselt, J Price, PB Przybylski, GT Radel, L Rameez, M Rawlins, K Redl, P Reimann, R 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 Scheriau, F Schmidt, T Schmitz, M Schoenen, S Schoneberg, S Schonwald, A Schukraft, A Schulte, L Schulz, O Seckel, D Sestayo, Y Seunarine, S Shanidze, R Sheremata, C Smith, MWE 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 Tepe, A Ter-Antonyan, S Tesic, G Tilav, S Toale, PA Toscano, S Unger, E Usner, M Vallecorsa, S van Eijndhoven, N Van Overloop, A van Santen, J Vehring, M Voge, M Vraeghe, M Walck, C Waldenmaier, T Wallraff, M Weaver, C Wellons, M Wendt, C Westerhoff, S Whitehorn, N Wiebe, K Wiebusch, CH Williams, DR Wissing, H Wolf, M Wood, TR Woschnagg, K Xu, DL Xu, XW Yanez, JP Yodh, G Yoshida, S Zarzhitsky, P Ziemann, J Zierke, S Zoll, M Recht, B Re, C 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. Benabderrahmane, M. L. BenZvi, S. Berghaus, P. Berley, D. Bernardini, E. Bernhard, A. 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. Bretz, H. -P. Brown, A. M. Bruijn, R. Brunner, J. Carson, M. Casey, J. Casier, M. Chirkin, D. Christov, A. Christy, B. Clark, K. Clevermann, F. Coenders, S. Cohen, S. Cowen, D. F. Silva, A. H. Cruz Danninger, M. Daughhetee, J. Davis, J. C. Day, M. De Clercq, C. De Ridder, S. Desiati, P. de Vries, K. D. de With, M. DeYoung, T. Diaz-Velez, J. C. Dunkman, M. Eagan, R. Eberhardt, B. Eisch, J. 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. Frantzen, K. Fuchs, T. Gaisser, T. K. Gallagher, J. Gerhardt, L. Gladstone, L. Gluesenkamp, T. Goldschmidt, A. Golup, G. Gonzalez, J. G. Goodman, J. A. Gora, D. Grandmont, D. T. Grant, D. Gross, A. Ha, C. Ismail, A. Haj Hallen, P. Hallgren, A. Halzen, F. Hanson, K. Heereman, D. 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. Jagielski, K. Japaridze, G. S. Jero, K. Jlelati, O. Kaminsky, B. Kappes, A. Karg, T. Karle, A. Kelley, J. L. Kiryluk, J. 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. Krings, K. Kroll, G. Kunnen, J. Kurahashi, N. Kuwabara, T. Labare, M. Landsman, H. Larson, M. J. Lesiak-Bzdak, M. Leuermann, M. Leute, J. Luenemann, J. Macias, O. Madsen, J. Maggi, G. Maruyama, R. Mase, K. Matis, H. S. McNally, F. Meagher, K. Merck, M. 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. Omairat, A. O'Murchadha, A. Paul, L. Pepper, J. A. de los Heros, C. Perez Pfendner, C. Pieloth, D. Pinat, E. Posselt, J. Price, P. B. Przybylski, G. T. Raedel, L. Rameez, M. Rawlins, K. Redl, P. Reimann, R. 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. Scheriau, F. Schmidt, T. Schmitz, M. Schoenen, S. Schoeneberg, S. Schoenwald, A. Schukraft, A. Schulte, L. Schulz, O. Seckel, D. Sestayo, Y. Seunarine, S. Shanidze, R. Sheremata, C. Smith, M. W. E. Soldin, D. Spiczak, G. M. Spiering, C. Stamatikos, M. Stanev, T. Stasik, A. Stezelberger, T. Stokstad, R. G. Stoessl, A. Strahler, E. A. Strom, R. Sullivan, G. W. Taavola, H. Taboada, I. Tamburro, A. Tepe, A. Ter-Antonyan, S. Tesic, G. Tilav, S. Toale, P. A. Toscano, S. Unger, E. Usner, M. Vallecorsa, S. van Eijndhoven, N. Van Overloop, A. van Santen, J. Vehring, M. Voge, M. Vraeghe, M. Walck, C. Waldenmaier, T. Wallraff, M. 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. Woschnagg, K. Xu, D. L. Xu, X. W. Yanez, J. P. Yodh, G. Yoshida, S. Zarzhitsky, P. Ziemann, J. Zierke, S. Zoll, M. Recht, B. Re, C. TI Improvement in fast particle track reconstruction with robust statistics SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Ice Cube; Track reconstruction; Neutrino telescope; Neutrino astrophysics; Robust statistics AB The IceCube project has transformed 1 km(3) of deep natural Antarctic ice into a Cherenkov detector Muon neutrinos are detected and their direction is inferred by mapping the light produced by the secondary muon track inside the volume instrumented with photomultipliers. Reconstructing the muon track from the observed light is challenging due to noise, light scattering in the ice medium, and the possibility of simultaneously having multiple muons inside the detector, resulting from the large flux of cosmic ray muons. This paper describes work on two problems: (1) the truck reconstruction problem, in which, given a set of observations, the goal is to recover the track of a muon; and (2) the coincident event problem, which is to determine how many muons are active in the detector during a time window. Rather than solving these problems by developing more complex physical models that are applied at later stages of the analysis, our approach is to augment the detector's early reconstruction with data filters and robust statistical techniques. These can be implemented at the level of on-line reconstruction and, therefore, improve all subsequent reconstructions. Using the metric of median angular resolution, a standard metric for track reconstruction, we improve the accuracy in the initial reconstruction direction by 13%. We also present improvements in measuring the number of muons in coincident events: we can accurately determine the number of muons 98% of the time. (C) 2013 Elsevier RV. All rights reserved. C1 [Bissok, M.; Blumenthal, J.; Coenders, S.; Euler, S.; Hallen, P.; Heinen, D.; Jagielski, K.; Krings, K.; Leuermann, M.; Paul, L.; Raedel, L.; Reimann, R.; Schoenen, S.; Schukraft, A.; Vehring, M.; Wallraff, M.; Wiebusch, C. H.; Zierke, S.] Rhein Westfal TH Aachen, Inst Phys 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.; Woschnagg, K.] 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.] 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.; Saba, S. M.; Schoeneberg, S.; Unger, E.] 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. [Bai, X.; Bechet, S.; Hanson, K.; Heereman, D.; Meures, T.; O'Murchadha, A.; Pinat, E.] Univ Libre Brussels, Fac Sci, B-1050 Brussels, Belgium. [Bose, D.; Brayeur, L.; Casier, M.; De Clercq, C.; de Vries, K. D.; Golup, G.; Kunnen, J.; Maggi, G.; 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.; Macias, O.] Univ Canterbury, Dept Phys & Astron, Christchurch 1, New Zealand. [Berley, D.; Blaufuss, E.; Christy, B.; 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.; Stamatikos, M.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Beatty, J. J.; Davis, J. C.; Pfendner, 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.; Grandmont, D. T.; Grant, D.; Nowicki, S. C.; Odrowski, S.; Sheremata, C.; Wood, T. R.] Univ Alberta, Dept Phys, Edmonton, AB T6G 2E1, Canada. [Aguilar, J. A.; Christov, A.; Montaruli, T.; Rameez, M.; Vallecorsa, S.] Univ Geneva, Dept Phys Nucl & Corpusculaire, CH-1211 Geneva, Switzerland. [Abdou, Y.; Carson, M.; De Ridder, S.; Feusels, T.; Ismail, A. Haj; Jlelati, O.; Labare, M.; 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.; Day, M.; 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.; Day, M.; 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.; Resconi, E.; Schulz, O.; Sestayo, Y.] Tech Univ Munich, D-85748 Garching, Germany. [Bai, X.; Evenson, P. A.; Gaisser, T. K.; Gonzalez, J. G.; Hussain, S.; Kuwabara, T.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Tamburro, A.; Tilav, S.] Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. [Bai, X.; Evenson, P. A.; Gaisser, T. K.; Gonzalez, J. G.; Hussain, S.; Kuwabara, T.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Tamburro, A.; Tilav, S.] 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.; 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.; 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. [Rott, C.] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. [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.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Clark, K.; Cowen, D. F.; DeYoung, T.; Dunkman, M.; Eagan, R.; Koskinen, D. J.; Salameh, T.; Smith, M. W. E.; Tesic, G.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Boersma, D. J.; Botner, O.; Hallgren, A.; de los Heros, C. Perez; Strom, R.; Taavola, H.] Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden. [Becker, K. -H.; Bindig, D.; Fischer-Wasels, T.; Helbing, K.; Hoffmann, R.; Klaes, J.; Kopper, S.; Naumann, U.; Obertacke, A.; Omairat, A.; Posselt, J.; Soldin, D.; Tepe, A.] Univ Wuppertal, Dept Phys, D-42119 Wuppertal, Germany. [Ackermann, M.; Benabderrahmane, M. L.; Berghaus, P.; Bernardini, E.; Bretz, H. -P.; Brunner, J.; Silva, A. H. Cruz; Gluesenkamp, T.; Gora, D.; Jacobi, E.; Kaminsky, B.; Karg, T.; Middell, E.; Mohrmann, L.; Nahnhauer, R.; Schoenwald, A.; Shanidze, R.; Spiering, C.; Stoessl, A.; Yanez, J. P.] DESY, D-15735 Zeuthen, Germany. [Recht, B.] Univ Calif Berkeley, Dept Comp Sci, Berkeley, CA 94704 USA. [Re, C.] Stanford Univ, Dept Comp Sci, Stanford, CA 94305 USA. RP Wellons, M (reprint author), Wisconsin Inst Discovery, 330 N Orchard St, Madison, WI 53715 USA. EM wellons@icecube.wisc.edu RI Tjus, Julia/G-8145-2012; Wiebusch, Christopher/G-6490-2012; Auffenberg, Jan/D-3954-2014; Koskinen, David/G-3236-2014; Brunner, Juergen/G-3540-2015; Aguilar Sanchez, Juan Antonio/H-4467-2015; Maruyama, Reina/A-1064-2013; Sarkar, Subir/G-5978-2011; Paul, Stephan/F-7596-2015; Paul, Stephan/K-9237-2016; Beatty, James/D-9310-2011; Taavola, Henric/B-4497-2011 OI Ter-Antonyan, Samvel/0000-0002-5788-1369; Schukraft, Anne/0000-0002-9112-5479; Carson, Michael/0000-0003-0400-7819; Perez de los Heros, Carlos/0000-0002-2084-5866; Benabderrahmane, Mohamed Lotfi/0000-0003-4410-5886; Wiebusch, Christopher/0000-0002-6418-3008; Auffenberg, Jan/0000-0002-1185-9094; Koskinen, David/0000-0002-0514-5917; Brunner, Juergen/0000-0002-5052-7236; Aguilar Sanchez, Juan Antonio/0000-0003-2252-9514; Maruyama, Reina/0000-0003-2794-512X; Sarkar, Subir/0000-0002-3542-858X; Paul, Stephan/0000-0002-8813-0437; Paul, Stephan/0000-0002-8813-0437; Beatty, James/0000-0003-0481-4952; Rott, Carsten/0000-0002-6958-6033; Taavola, Henric/0000-0002-2604-2810 NR 14 TC 7 Z9 7 U1 1 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD FEB 1 PY 2014 VL 736 BP 143 EP 149 DI 10.1016/j.nima.2013.10.074 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 285OS UT WOS:000329404000019 ER PT J AU Thomas, KJ Norman, EB Smith, AR Chan, YD AF Thomas, K. J. Norman, E. B. Smith, A. R. Chan, Y. D. TI Installation of a muon veto for low background gamma spectroscopy at the LBNL low-background facility (vol 724, pg 47, 2013) SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Correction C1 [Thomas, K. J.; Norman, E. B.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Thomas, K. J.; Norman, E. B.; Smith, A. R.; Chan, Y. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Thomas, KJ (reprint author), Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. EM kjthomas@lbl.gov NR 1 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD FEB 1 PY 2014 VL 736 BP 204 EP 204 DI 10.1016/j.nima.2013.11.046 PG 1 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 285OS UT WOS:000329404000026 ER PT J AU Lipnikov, K Vassilev, D Yotov, I AF Lipnikov, Konstantin Vassilev, Danail Yotov, Ivan TI Discontinuous Galerkin and mimetic finite difference methods for coupled Stokes-Darcy flows on polygonal and polyhedral grids SO NUMERISCHE MATHEMATIK LA English DT Article ID POROUS-MEDIA FLOW; ELEMENT-METHOD; DIFFUSION-PROBLEMS; ELLIPTIC PROBLEMS; FLUID-FLOW; BOUNDARY-CONDITIONS; NUMERICAL-SOLUTION; MESHES; EQUATIONS; DISCRETIZATION AB We study locally mass conservative approximations of coupled Darcy and Stokes flows on polygonal and polyhedral meshes. The discontinuous Galerkin (DG) finite element method is used in the Stokes region and the mimetic finite difference method is used in the Darcy region. DG finite element spaces are defined on polygonal and polyhedral grids by introducing lifting operators mapping mimetic degrees of freedom to functional spaces. Optimal convergence estimates for the numerical scheme are derived. Results from computational experiments supporting the theory are presented. C1 [Lipnikov, Konstantin] Los Alamos Natl Lab, Div Theoret, Appl Math & Plasma Phys Grp, Los Alamos, NM 87545 USA. [Vassilev, Danail] Univ Exeter, Math Res Inst, Coll Engn Math & Phys Sci, Exeter EX4 4QF, Devon, England. [Yotov, Ivan] Univ Pittsburgh, Dept Math, Pittsburgh, PA 15260 USA. RP Vassilev, D (reprint author), Univ Exeter, Math Res Inst, Coll Engn Math & Phys Sci, Exeter EX4 4QF, Devon, England. EM lipnikov@lanl.gov; D.Vassilev@exeter.ac.uk; yotov@math.pitt.edu FU DOE Office of Science Advanced Scientific Computing Research (ASCR) Program in Applied Mathematics; DOE [DE-FG02-04ER25618]; NSF [DMS 1115856] FX K. Lipnikov was partially supported by the DOE Office of Science Advanced Scientific Computing Research (ASCR) Program in Applied Mathematics.; I. Yotov was partially supported by the DOE Grant DE-FG02-04ER25618 and the NSF Grant DMS 1115856. NR 57 TC 10 Z9 10 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0029-599X EI 0945-3245 J9 NUMER MATH JI Numer. Math. PD FEB PY 2014 VL 126 IS 2 BP 321 EP 360 DI 10.1007/s00211-013-0563-3 PG 40 WC Mathematics, Applied SC Mathematics GA 289HH UT WOS:000329672000005 ER PT J AU Chin, MPW Bohlen, TT Fasso, A Ferrari, A Ortega, PG Sala, PR AF Chin, M. P. W. Boehlen, T. T. Fasso, A. Ferrari, A. Ortega, P. G. Sala, P. R. TI FLUKA and PENELOPE simulations of 10 keV to 10 MeV photons in LYSO and soft tissue SO RADIATION PHYSICS AND CHEMISTRY LA English DT Article DE Monte Carlo; FLUKA; PENELOPE; Electromagnetic showers AB Monte Carlo simulations of electromagnetic particle interactions and transport by FLUKA and PENELOPE were compared. 10 key to 10 MeV incident photon beams impinged a LYSO crystal and a soft-tissue phantom. Central-axis as well as off-axis depth doses agreed within 1 s.d.; no systematic under- or overestimate of the pulse height spectra was observed from 100 keV to 10 MeV for both materials, agreement was within 5%. Simulation of photon and electron transport and interactions at this level of precision and reliability is of significant impact, for instance, on treatment monitoring of hadrontherapy where a code like FLUKA is needed to simulate the full suite of particles and interactions (not just electromagnetic). At the interaction-by-interaction level, apart from known differences in condensed history techniques, two-quanta positron annihilation at rest was found to differ between the two codes. PENELOPE produced a 511 key sharp line, whereas FLUKA produced visible acolinearity, a feature recently implemented to account for the momentum of shell electrons. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Chin, M. P. W.; Boehlen, T. T.; Ferrari, A.; Ortega, P. G.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Sala, P. R.] Ist Nazl Fis Nucl, I-20133 Milan, Italy. [Fasso, A.] Jefferson Lab, Newport News, VA 23606 USA. RP Chin, MPW (reprint author), CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. EM me@marychin.org RI sala, paola/E-2868-2013; Chin, Mary Pik Wai/B-6644-2012; Garcia Ortega, Pablo/G-5155-2014 OI sala, paola/0000-0001-9859-5564; Chin, Mary Pik Wai/0000-0001-5176-9723; Garcia Ortega, Pablo/0000-0002-1580-2706 FU European Novel Imaging Systems for Ion Therapy Grant [241851-ENVISION-COOPERATION] FX This work is partially funded by the European Novel Imaging Systems for Ion Therapy Grant Agreement 241851-ENVISION-COOPERATION as a part of the Seventh Framework Programme. NR 7 TC 0 Z9 0 U1 1 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-806X J9 RADIAT PHYS CHEM JI Radiat. Phys. Chem. PD FEB PY 2014 VL 95 BP 170 EP 173 DI 10.1016/j.radphyschem.2013.03.024 PG 4 WC Chemistry, Physical; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical SC Chemistry; Nuclear Science & Technology; Physics GA 283UB UT WOS:000329271400043 ER PT J AU Kyle, P Muller, C Calvin, K Thomson, A AF Kyle, Page Mueller, Christoph Calvin, Katherine Thomson, Allison TI Meeting the radiative forcing targets of the representative concentration pathways in a world with agricultural climate impacts SO EARTHS FUTURE LA English DT Article DE integrated assessment; climate impacts; emissions mitigation; representative concentration pathway ID LAND-USE; CARBON; STABILIZATION; CMIP5 AB This study assesses how climate impacts on agriculture may change the evolution of the agricultural and energy systems in meeting the end-of-century radiative forcing targets of the representative concentration pathways (RCPs). We build on the recently completed Inter-Sectoral Impact Model Intercomparison Project (ISI-MIP) exercise that has produced global gridded estimates of future crop yields for major agricultural crops using climate model projections of the RCPs from the Coupled Model Intercomparison Project Phase 5 (CMIP5). For this study we use the bias-corrected outputs of the HadGEM2-ES climate model as inputs to the LPJmL crop growth model, and the outputs of LPJmL to modify inputs to the GCAM integrated assessment model. Our results indicate that agricultural climate impacts generally lead to an increase in global cropland, as compared with corresponding emissions scenarios that do not consider climate impacts on agricultural productivity. This is driven mostly by negative impacts on wheat, rice, other grains, and oil crops. Still, including agricultural climate impacts does not significantly increase the costs or change the technological strategies of global, whole-system emissions mitigation. In fact, to meet the most aggressive climate change mitigation target (2.6W/m(2) in 2100), the net mitigation costs are slightly lower when agricultural climate impacts are considered. Key contributing factors to these results are (a) low levels of climate change in the low-forcing scenarios, (b) adaptation to climate impacts simulated in GCAM through inter-regional shifting in the production of agricultural goods, and (c) positive average climate impacts on bioenergy crop yields. C1 [Kyle, Page; Calvin, Katherine; Thomson, Allison] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Mueller, Christoph] Potsdam Inst Climate Impact Res, Potsdam, Germany. RP Kyle, P (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. EM pkyle@pnnl.gov RI Mueller, Christoph/E-4812-2016; OI Mueller, Christoph/0000-0002-9491-3550; Calvin, Katherine/0000-0003-2191-4189 FU Office of Science of the U.S. Department of Energy as part of the Integrated Assessment Research Program; DOE [DE-AC05-76RL01830]; KULUNDA project through the German Federal Ministry of Education and Research (BMBF) [01LL0905L]; FACCE MACSUR project through the German Federal Ministry of Education and Research (BMBF) [031A103B] FX This research was supported by the Office of Science of the U.S. Department of Energy as part of the Integrated Assessment Research Program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. Christoph Muller acknowledges financial support from the KULUNDA project (01LL0905L) and the FACCE MACSUR project (031A103B) funded through the German Federal Ministry of Education and Research (BMBF). The views and opinions expressed in this paper are those of the authors alone. NR 32 TC 4 Z9 4 U1 1 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 2328-4277 J9 EARTHS FUTURE JI Earth Future PD FEB PY 2014 VL 2 IS 2 BP 83 EP 98 DI 10.1002/2013EF000199 PG 16 WC Environmental Sciences; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Geology; Meteorology & Atmospheric Sciences GA CN0TC UT WOS:000358125500006 ER PT J AU Guhabiswas, D Sopori, BL Ravindra, NM AF Guhabiswas, Debraj Sopori, Bhushan L. Ravindra, Nuggehalli M. TI Reflectance calculations of alkaline textured multicrystalline silicon: a new approach SO EMERGING MATERIALS RESEARCH LA English DT Article DE characterization; crystallography; devices; etching; modeling; optics; simulation; solar cells AB Alkaline texture etching is a standard procedure for manufacturing solar cells with (100) oriented single-crystalline-silicon wafers as substrates. This is performed to reduce reflectance from the wafer surface. Alkaline etching, being anisotropic in nature, results in unique texture on the surface of each crystallographic orientation of silicon. Hence, the reflectance of each grain of a multicrystalline silicon (mc-Si) substrate can be treated as a signature of its crystal orientation. This provides an opportunity to ascertain the orientation of each grain in a mc-Si wafer by the shape of the textures formed on its surface and henceforth, its corresponding reflectance. A model has been developed that can predict and create surface textures for any arbitrary crystal orientation of silicon on anisotropic alkaline etching. This model has been implemented in a computer program written in C++ to perform rigorous ray-tracing computations to calculate reflectance curves for textured silicon of any crystal orientation, wafer thickness and texture height. A database of reflectance curves for multiple crystal orientations has been built. This has led to a new and ultrafast method for grain orientation characterization using reflectance of each grain, instead of time-consuming X-ray (Laue) and Electron-backscatter diffraction measurements. The model and the algorithm used for reflectance calculations, along with some calculated results, are presented to highlight the usefulness of this procedure for application in grain orientation mapping. C1 [Guhabiswas, Debraj; Ravindra, Nuggehalli M.] New Jersey Inst Technol, Interdisciplinary Program Mat Sci & Engn, Newark, NJ 07102 USA. [Guhabiswas, Debraj; Sopori, Bhushan L.] Natl Ctr Photovolta, Natl Renewable Energy Lab, Golden, CO USA. RP Ravindra, NM (reprint author), New Jersey Inst Technol, Interdisciplinary Program Mat Sci & Engn, Newark, NJ 07102 USA. EM nmravindra@gmail.com FU US Department of Energy [DE-AC36-08-GO28308] FX This work was performed at the National Renewable Energy Laboratory, Golden, CO, USA and was supported by the US Department of Energy under contract no. DE-AC36-08-GO28308. NR 16 TC 1 Z9 1 U1 2 U2 5 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 FEB PY 2014 VL 3 IS 1 BP 10 EP 18 DI 10.1680/emr.13.00001 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA CX5BS UT WOS:000365716400003 ER PT J AU Bazilian, M Mai, T Baldwin, S Arent, D Miller, M Logan, J AF Bazilian, M. Mai, T. Baldwin, S. Arent, D. Miller, M. Logan, J. TI Decision-making for High Renewable Electricity Futures in the United States SO ENERGY STRATEGY REVIEWS LA English DT Review DE Energy policy; Energy modeling; RE integration AB Our research suggests that in 2050, 80% of total U.S. electricity demand could be supplied by renewable electricity technologies that are commercially available today at a cost similar to or lower than published estimates for other clean energy scenarios. In order to achieve this goal, the U.S. power system will need to evolve toward increased efficiency and system flexibility - in part enabled by grid expansion and new operating procedures. Adjustments in business models, market rules, and regulatory regimes may also be needed to handle these high levels of renewables with their different financial and operating characteristics. This short Report Review highlights aspects of policy, regulation, finance, markets and operations that can help enable high penetration renewable energy electricity generation futures. It uses analytical results from the NREL Renewable Electricity Futures (REF) Study [1] as a basis for discussion. As technical issues have been shown not to be key impediments for this pathway at the hourly level for the bulk system, we focus on other aspects of public and private decision-making. We conclude by describing how the REF might inform future research and development by the scientific community. Published by Elsevier Ltd. C1 [Bazilian, M.; Mai, T.; Arent, D.; Miller, M.; Logan, J.] Natl Renewable Energy Lab, Golden, CO USA. [Baldwin, S.] US DOE, Washington, DC 20585 USA. [Bazilian, M.] Columbia Univ, New York, NY 10027 USA. RP Bazilian, M (reprint author), 15013 Denver W Pkwy, Golden, CO 80401 USA. EM Morgan.Bazilian@nrel.gov FU U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy; DOE Office of Energy Efficiency and Renewable Energy [DE-AC36-08GO28308] FX We are grateful to the U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy for sponsoring this work. We also thank DOE's Office of Electricity Delivery and Energy Reliability for its input and guidance on specific aspects of the analysis, as well as valuable comments and helpful suggestions to improve the content of the report. NREL's contributions to this report were funded by the DOE Office of Energy Efficiency and Renewable Energy under contract number DE-AC36-08GO28308. The opinions represented in this article are the authors' own and do not reflect the view of the U.S. Department of Energy or the U.S. Government. Any and all errors are the responsibility of the authors. NR 19 TC 4 Z9 4 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2211-467X EI 2211-4688 J9 ENERGY STRATEG REV JI Energy Strateg. Rev. PD FEB PY 2014 VL 2 IS 3-4 BP 326 EP 328 DI 10.1016/j.esr.2013.11.001 PG 3 WC Energy & Fuels SC Energy & Fuels GA V45RH UT WOS:000209833200015 ER PT J AU Schaef, HT Glezakou, VA Owen, AT Ramprasad, S Martin, PF McGrail, BP AF Schaef, H. T. Glezakou, V. -A. Owen, A. T. Ramprasad, S. Martin, P. F. McGrail, B. P. TI Surface Condensation of CO2 onto Kaolinite SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS LA English DT Article ID SUPERCRITICAL CARBON-DIOXIDE; GENERALIZED GRADIENT APPROXIMATION; INITIO MOLECULAR-DYNAMICS; MONTMORILLONITE; ADSORPTION; PSEUDOPOTENTIALS; ISOTHERMS; COAL AB The fundamental adsorption of CO, onto poorly crystalline kaolinite (KGa-2) under conditions relevant to geologic sequestration has been investigated using a quartz crystal microbalance (QCM) and density functional theory (DFT) methods. The QCM data indicated linear adsorption of CO2 (0-0.3 mmol of CO2/g of KGa-2) onto the kaolinite surface up through the gaseous state (0.186 g/cm3()). However, in the supercritical region, the extent of CO, adsorption increases dramatically, reaching a peak (0.9-1.2 mmol of CO2/g of KGa-2) near 0.40 g/cm(3), before declining rapidly. DFT studies of interactions of CO2 with kaolinite surface models confirm that surface adsorption is favored up to similar to 0.34 g/cm(3) of CO, showing distorted T-shaped CO2 CO2 clustering, typical of supercritical CO2 aggregation over the surface at higher densities. Beyond this point, the adsorption energy gain for any additional CO2 becomes smaller than the CO2 interaction energy (similar to 0.2eV) in the supercritical medium, resulting in the desorption of CO2 from the kaolinite surface. C1 [Schaef, H. T.; Glezakou, V. -A.; Owen, A. T.; Ramprasad, S.; Martin, P. F.; McGrail, B. P.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Schaef, HT (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM todd.schaef@pnl.gov FU U.S. Department of Energy (DOE), Office of Fossil Energy; DOE by Battelle Memorial Institute [DE-AC06-76RLO-1830] FX This work was supported by the U.S. Department of Energy (DOE), Office of Fossil Energy. The simulations were possible through a user proposal from EMSL, a national scientific user facility at Pacific Northwest National Laboratory (PNNL) that is managed by the DOE's Office of Biological and Environmental Research. PNNL is operated for the DOE by Battelle Memorial Institute under Contract DE-AC06-76RLO-1830. NR 32 TC 10 Z9 11 U1 4 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2328-8930 J9 ENVIRON SCI TECH LET JI Environ. Sci. Technol. Lett. PD FEB PY 2014 VL 1 IS 2 BP 142 EP 145 DI 10.1021/ez400169b PG 4 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA CD1JI UT WOS:000350830800002 ER PT J AU Albert, C Jameson, J Smith, P Harris, G AF Albert, Carolyne Jameson, John Smith, Peter Harris, Gerald TI Bone Material Properties in Osteogenesis Imperfecta: a Matter of Quantity Over Quality. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 12-15, 2014 CL Houston, TX SP Amer Soc Bone & Mineral Res C1 [Albert, Carolyne; Harris, Gerald] Marquette Univ, Milwaukee, WI 53233 USA. [Jameson, John] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Smith, Peter] Shriners Hosp Children, Tampa, FL USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0884-0431 EI 1523-4681 J9 J BONE MINER RES JI J. Bone Miner. Res. PD FEB PY 2014 VL 29 SU 1 MA SU0427 BP S338 EP S338 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA CK9ZS UT WOS:000356598702114 ER PT J AU Chang, JC Christiansen, B Collette, N Sebastian, A Murugesh, D Hatsell, S Economides, A Blanchette, C Loots, G AF Chang, Jiun Chiun Christiansen, Blaine Collette, Nicole Sebastian, Aimy Murugesh, Deepa Hatsell, Sarah Economides, Aris Blanchette, Craig Loots, Gabriela TI Elucidating Molecular Mechanisms leading to Post Traumatic Osteoarthritis in Sost KO Mice SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 12-15, 2014 CL Houston, TX SP Amer Soc Bone & Mineral Res C1 [Chang, Jiun Chiun; Sebastian, Aimy] Univ Calif, Merced, CA USA. [Christiansen, Blaine] Univ Calif Davis, Med Ctr, Davis, CA USA. [Collette, Nicole] Lawrence Livermore Natl Lab, Livermore, CA USA. [Murugesh, Deepa; Blanchette, Craig] Lawrence Livermore Natl Lab, Livermore, CA USA. [Hatsell, Sarah; Economides, Aris] Regeneron Pharmaceut Inc, Tarrytown, NY USA. [Loots, Gabriela] UC Merced, Lawrence Livermore Natl Lab, Merced, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0884-0431 EI 1523-4681 J9 J BONE MINER RES JI J. Bone Miner. Res. PD FEB PY 2014 VL 29 SU 1 MA FR0200 BP S81 EP S81 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA CK9ZS UT WOS:000356598700249 ER PT J AU Shen, J Lapidus, J Baraff, A Lee, C Baratt, A McWeeney, S Petyuk, V Bauer, D Lane, N Orwoll, E AF Shen, Jian Lapidus, Jodi Baraff, Aaron Lee, Christine Baratt, Arie McWeeney, Shannon Petyuk, Vladislav Bauer, Douglas Lane, Nancy Orwoll, Eric TI Identification of Novel Serum Peptides and Proteins That Are Associated with Hip Bone Loss in Older Men SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 12-15, 2014 CL Houston, TX SP Amer Soc Bone & Mineral Res C1 [Shen, Jian; Lapidus, Jodi; Baraff, Aaron; Lee, Christine; Baratt, Arie; McWeeney, Shannon; Orwoll, Eric] Oregon Hlth & Sci Univ, Portland, OR 97201 USA. [Petyuk, Vladislav] Pacific NW Natl Lab, Richland, WA 99352 USA. [Bauer, Douglas] Univ Calif San Francisco, San Francisco, CA 94143 USA. [Lane, Nancy] Univ Calif Davis, Med Ctr, Davis, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0884-0431 EI 1523-4681 J9 J BONE MINER RES JI J. Bone Miner. Res. PD FEB PY 2014 VL 29 SU 1 MA FR0312 BP S99 EP S99 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA CK9ZS UT WOS:000356598700304 ER PT J AU Smith, L Bigelow, EMR Nolan, BT Faillace, M Nadeau, JH Jepsen, K AF Smith, Lauren Bigelow, Erin M. R. Nolan, Bonnie T. Faillace, Meghan Nadeau, Joseph H. Jepsen, Karl TI Genetic regulation of skeletal robustness. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 12-15, 2014 CL Houston, TX SP Amer Soc Bone & Mineral Res C1 [Smith, Lauren; Bigelow, Erin M. R.; Nolan, Bonnie T.] Univ Michigan, Dept Orthopaed Surg, Ann Arbor, MI 48109 USA. [Faillace, Meghan] GE Inspect Technol, New York, NY USA. [Nadeau, Joseph H.] Pacific Northwest Res Inst, Seattle, WA USA. [Jepsen, Karl] Univ Michigan, Ann Arbor, MI 48109 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0884-0431 EI 1523-4681 J9 J BONE MINER RES JI J. Bone Miner. Res. PD FEB PY 2014 VL 29 SU 1 MA SA0039 BP S136 EP S136 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA CK9ZS UT WOS:000356598701101 ER PT J AU Yee, C Xie, LQ Murugesh, D Hatsell, S Economides, A Loots, G Collette, N AF Yee, Cristal Xie, Liqin Murugesh, Deepa Hatsell, Sarah Economides, Aris Loots, Gabriela Collette, Nicole TI Sost Antibody Treatment Improves Fracture Healing in Type 1 Diabetes. SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Meeting Abstract CT Annual Meeting of the American-Society-for-Bone-and-Mineral-Research CY SEP 12-15, 2014 CL Houston, TX SP Amer Soc Bone & Mineral Res C1 [Yee, Cristal] Univ Calif, Merced, CA USA. [Xie, Liqin] Regeneron Pharmaceut Co, Tarrytown, NY USA. [Murugesh, Deepa; Collette, Nicole] Lawrence Livermore Natl Lab, Livermore, CA USA. [Hatsell, Sarah] Regeneron Pharmaceut, Tarrytown, NY USA. [Economides, Aris] Regeneron Pharmaceut Inc, Tarrytown, NY USA. [Loots, Gabriela] UC Merced, Lawrence Livermore Natl Lab, Merced, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0884-0431 EI 1523-4681 J9 J BONE MINER RES JI J. Bone Miner. Res. PD FEB PY 2014 VL 29 SU 1 MA MO0172 BP S402 EP S402 PG 1 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA CK9ZS UT WOS:000356598702323 ER PT J AU Andraka, CE Sadlon, S Myer, B Trapeznikov, K Liebner, C AF Andraka, Charles E. Sadlon, Scott Myer, Brian Trapeznikov, Kirill Liebner, Christina TI Rapid Reflective Facet Characterization Using Fringe Reflection Techniques SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article DE optical characterization; dish; optics; facet; slope error; deflectometry; fringe reflection AB Reflective mirror facets for concentrating solar power (CSP) systems have stringent requirements on the surface slope accuracy in order to provide adequate system performance. This paper presents a tool that can fully characterize facets quickly enough for 100% inspection on a production line. A facet for a CSP system, specifically a dish concentrator has a parabolic design shape. This shape will concentrate near-parallel rays from the sun to a point (or a line for trough systems). Deviations of surface slope from the design shape impact the performance of the system, either losing power that misses the target or increasing peak fluxes to undesirable levels. During development or production, accurate knowledge of facet defects can lead to improvements to lower cost or improve performance. The reported characterization system, SOFAST (Sandia Optical Fringe Analysis Slope Tool), has a computer-connected camera that images the reflective surface, which is positioned so that it reflects an active target, such as an LCD screen, to the camera. A series of fringe patterns are displayed on the screen while images are captured. Using the captured information, the reflected target location of each pixel of mirror viewed can be determined, and thus through a mathematical transformation, a surface normal map can be developed. This is then fitted to the selected model equation, and the errors from design are characterized. While similar approaches have been explored, several key developments are presented here. The combination of the display, capture, and data reduction in one system allows rapid characterization. An "electronic boresight" approach is utilized to accommodate physical equipment positioning deviations, making the system insensitive to setup errors. Up to 1.5 x 10(6) points are characterized on each facet. Finally, while prior automotive industry commercial systems resolve the data to shape determination, SOFAST concentrates on slope characterization and reporting, which is tailored to solar applications. SOFAST can be used for facet analysis during development. However, the real payoff is in production, where complete analysis is performed in about 10 s. With optimized coding, this could be further reduced. C1 [Andraka, Charles E.; Sadlon, Scott; Myer, Brian; Trapeznikov, Kirill; Liebner, Christina] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Andraka, CE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ceandra@sandia.gov FU Sandia Corporation [DE-AC04-94AL85000]; U.S. Department of Energy FX This manuscript has been authored by Sandia Corporation under Contract No. DE-AC04-94AL85000 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 31 TC 4 Z9 4 U1 4 U2 5 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 EI 1528-8986 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD FEB PY 2014 VL 136 IS 1 SI SI AR 011002 DI 10.1115/1.4024250 PG 11 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 292WF UT WOS:000329932700011 ER PT J AU Coyne, CW Patel, K Heureaux, J Stachowiak, J Fletcher, DA Liu, AP AF Coyne, Christopher W. Patel, Karan Heureaux, Johanna Stachowiak, Jeanne Fletcher, Daniel A. Liu, Allen P. TI Lipid Bilayer Vesicle Generation Using Microfluidic Jetting SO Jove-Journal of Visualized Experiments LA English DT Article DE Bioengineering; Issue 84; Microfluidic jetting; synthetic biology; vesicle encapsulation; lipid bilayer; biochemical reconstitution; giant unilamellar vesicles ID IN-VITRO; GIANT VESICLES; BIOLOGY AB Bottom-up synthetic biology presents a novel approach for investigating and reconstituting biochemical systems and, potentially, minimal organisms. This emerging field engages engineers, chemists, biologists, and physicists to design and assemble basic biological components into complex, functioning systems from the bottom up. Such bottom-up systems could lead to the development of artificial cells for fundamental biological inquiries and innovative therapies(1,2). Giant unilamellar vesicles (GUVs) can serve as a model platform for synthetic biology due to their cell-like membrane structure and size. Microfluidic jetting, or microjetting, is a technique that allows for the generation of GUVs with controlled size, membrane composition, transmembrane protein incorporation, and encapsulation(3). The basic principle of this method is the use of multiple, high-frequency fluid pulses generated by a piezo-actuated inkjet device to deform a suspended lipid bilayer into a GUV. The process is akin to blowing soap bubbles from a soap film. By varying the composition of the jetted solution, the composition of the encompassing solution, and/or the components included in the bilayer, researchers can apply this technique to create customized vesicles. This paper describes the procedure to generate simple vesicles from a droplet interface bilayer by microjetting. C1 [Coyne, Christopher W.; Patel, Karan; Heureaux, Johanna; Liu, Allen P.] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. [Liu, Allen P.] Univ Michigan, Dept Biomed Engn, Ann Arbor, MI 48109 USA. [Stachowiak, Jeanne] Univ Texas Austin, Inst Cellular & Mol Biol, Dept Biomed Engn, Austin, TX 78712 USA. [Fletcher, Daniel A.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Fletcher, Daniel A.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Liu, AP (reprint author), Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. EM allenliu@umich.edu RI Liu, Allen/A-1704-2011 OI Liu, Allen/0000-0002-0309-7018 FU NIH [DP2 HL117748-01] FX We thank Mike Vahey from the Fletcher Lab at the University of California, Berkeley for advice on the microjetting parameters. This work was sponsored by NIH grant DP2 HL117748-01. NR 19 TC 6 Z9 6 U1 4 U2 36 PU JOURNAL OF VISUALIZED EXPERIMENTS PI CAMBRIDGE PA 1 ALEWIFE CENTER, STE 200, CAMBRIDGE, MA 02140 USA SN 1940-087X J9 JOVE-J VIS EXP JI J. Vis. Exp. PD FEB PY 2014 IS 84 AR e51510 DI 10.3791/51510 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CA0JL UT WOS:000348604100070 PM 24637415 ER PT J AU Schebb, NH Morin, D Buchholz, B Buckpitt, A Hammock, BD Rice, RH AF Schebb, Nils Helge Morin, Dexter Buchholz, Bruce Buckpitt, Alan Hammock, Bruce D. Rice, Robert H. TI Metabolic Activation of the Antibacterial Triclocarban by Cytochrome P450 1A1 Yielding Glutathione and Protein Adducts SO NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY LA English DT Meeting Abstract CT 80th Annual Meeting of the Deutsche-Gesellschaft-fur-Experimentelle-und-Klinische-Pharmakologie-und -Toxikologie-e-V CY APR 01-03, 2014 CL Hannover, GERMANY SP Deutsch Gesell Experimentelle & Klinische Pharmakologie & Pharmakologie e V C1 [Schebb, Nils Helge] Tierarztliche Hsch Hannover, Lebensmitteltoxikol, Hannover, Germany. [Morin, Dexter; Buckpitt, Alan; Hammock, Bruce D.; Rice, Robert H.] Univ Calif Davis, Davis, CA 95616 USA. [Buchholz, Bruce] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 4 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0028-1298 EI 1432-1912 J9 N-S ARCH PHARMACOL JI Naunyn-Schmiedebergs Arch. Pharmacol. PD FEB PY 2014 VL 387 SU 1 MA 064 BP S17 EP S17 PG 1 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA CP0AP UT WOS:000359538500065 ER PT J AU Galvin, JE Benyahia, S AF Galvin, Janine E. Benyahia, Sofiane TI The Effect of Cohesive Forces on the Fluidization of Aeratable Powders SO AICHE JOURNAL LA English DT Article DE cohesive forces; Geldart A powder; fluidization cycle; polydispersity; friction forces; discrete particle method ID PARTICLE-SIZE DISTRIBUTION; GELDART-A-PARTICLES; VAN-DER-WAALS; ELEMENT METHOD SIMULATION; INTERPARTICLE FORCES; FINE PARTICLES; BEHAVIOR; BEDS; MODEL; EXPANSION AB The effects of cohesive forces of van der Waals type in the fluidization/defluidization of aeratable type A powders in the Geldart classification are numerically investigated. The effects of friction and particle-size distribution (PSD) on some design-significant parameters, such as minimum fluidization and bubbling velocities, are also investigated. For these types of particles, cohesive forces are observed as necessary to fully exhibit the role friction plays in commonly observed phenomena, such as pressure overshoot and hysteresis around minimum fluidization. This study also shows that a full-experimental PSD consisting of a dozen particle sizes may be sufficiently represented by a few particle diameters. Reducing the number of particle types may benefit the continuum approach, which is based on the kinetic theory of granular flow, by reducing computational expense, while still maintaining the accuracy of the predictions. Published 2013 American Institute of Chemical Engineers AIChE J 60: 473-484, 2014 C1 [Galvin, Janine E.] Natl Energy Technol Lab, Albany, OR 97321 USA. [Benyahia, Sofiane] Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Benyahia, S (reprint author), Natl Energy Technol Lab, Morgantown, WV 26507 USA. EM Sofiane.Benyahia@netl.doe.gov NR 59 TC 14 Z9 14 U1 2 U2 26 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0001-1541 EI 1547-5905 J9 AICHE J JI AICHE J. PD FEB PY 2014 VL 60 IS 2 BP 473 EP 484 DI 10.1002/aic.14307 PG 12 WC Engineering, Chemical SC Engineering GA 286QQ UT WOS:000329484200008 ER PT J AU Tsetseris, L Pantelides, ST AF Tsetseris, L. Pantelides, S. T. TI Graphene: An impermeable or selectively permeable membrane for atomic species? SO CARBON LA English DT Article ID CARBON NANOTUBES; POROUS GRAPHENE; GAS SEPARATION; MOS DEVICES; HYDROGEN; ENERGY; DEFECT AB Graphene is generally thought to be a perfect membrane that can block completely the penetration of impurities and molecules. Here we use density-functional theory calculations to examine this property with respect to prototype atomic species. We find that hydrogen and oxygen atoms have, indeed, prohibitively large barriers (4.2 eV and 5.5 eV) for permeation through a defect-free graphene layer. We also find, however, that boron permeation occurs by an intricate bond switching synergistic process with an activation energy of only 1.3 eV, indicating easy B penetration upon moderate annealing. Nitrogen permeation has an intermediate activation energy of 3.2 eV. The results show that by controlling annealing conditions, pristine graphene could allow the selective passage of atoms. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Tsetseris, L.] Natl Tech Univ Athens, Dept Phys, GR-15780 Athens, Greece. [Tsetseris, L.; Pantelides, S. T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Pantelides, S. T.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA. [Pantelides, S. T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Tsetseris, L (reprint author), Natl Tech Univ Athens, Dept Phys, GR-15780 Athens, Greece. EM leont@mail.ntua.gr FU McMinn Endowment at Vanderbilt University; [HDTRA 1-10-10016] FX The work was supported by the McMinn Endowment at Vanderbilt University and by Grant No HDTRA 1-10-10016. The calculations used resources of the EGEE and HellasGrid infrastructures. NR 32 TC 34 Z9 34 U1 6 U2 111 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 EI 1873-3891 J9 CARBON JI Carbon PD FEB PY 2014 VL 67 BP 58 EP 63 DI 10.1016/j.carbon.2013.09.055 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 285FO UT WOS:000329379300007 ER PT J AU Mahurin, SM Gorka, J Nelson, KM Mayes, RT Dai, S AF Mahurin, Shannon M. Gorka, Joanna Nelson, Kimberly M. Mayes, Richard T. Dai, Sheng TI Enhanced CO2/N-2 selectivity in amidoxime-modified porous carbon SO CARBON LA English DT Article ID CO2 CAPTURE; SURFACE-AREA; DIOXIDE CAPTURE; ADSORPTION; PERFORMANCE; FRAMEWORKS; SEPARATION AB In this work, we examine the use of the amidoxime functional group grafted onto a hierarchical porous carbon framework for the selective capture and removal of carbon dioxide from combustion streams. Measured CO2/N-2 ideal selectivity values for the amidoxime-grafted carbon were significantly higher than the pristine porous carbon with improvements of 65%. Though the overall CO2 capacity decreased slightly for the activated carbon from 4.97 mmol g(-1) to 4.24 mmol g(-1) after surface modification due to a reduction in the total surface area, the isosteric heats of adsorption increased after amidoxime incorporation indicating an increased interaction of CO2 with the sorbent. Total capacity was reproducible and stable after multiple adsorption/desorption cycles with no loss of capacity suggesting that modification with the amidoxime group is a potential method to enhance carbon capture. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Mahurin, Shannon M.; Gorka, Joanna; Mayes, Richard T.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Nelson, Kimberly M.; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Mahurin, SM (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM mahurinsm@ornl.gov; dais@ornl.gov RI Dai, Sheng/K-8411-2015; Mayes, Richard/G-1499-2016 OI Dai, Sheng/0000-0002-8046-3931; Mayes, Richard/0000-0002-7457-3261 FU Division of Chemical Sciences, Geosciences, and Biosciences; Office of Basic Energy Sciences; U.S. Department of Energy FX This work was fully sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. NR 27 TC 28 Z9 29 U1 4 U2 84 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 EI 1873-3891 J9 CARBON JI Carbon PD FEB PY 2014 VL 67 BP 457 EP 464 DI 10.1016/j.carbon.2013.10.018 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 285FO UT WOS:000329379300050 ER PT J AU Mei, ZG Wang, Y Shang, SL Liu, ZK AF Mei, Zhi-Gang Wang, Yi Shang, Shunli Liu, Zi-Kui TI First-principles study of the mechanical properties and phase stability of TiO2 SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE TiO2; First-principles calculation; Phase stability; Phonon; Mechanical properties ID GENERALIZED GRADIENT APPROXIMATION; AUGMENTED-WAVE METHOD; HIGH-PRESSURE PHASES; ELASTIC PROPERTIES; TITANIUM-DIOXIDE; RUTILE; POLYMORPHS; ANATASE; ENERGY; BOUNDARY AB We performed a density-functional theory study of the mechanical properties, phonon and phase stability of TiO2 in the structures of rutile, anatase, columbite, baddeleyite, OI, cotunnite, fluorite, and pyrite. Six exchange-correlation functionals were used to evaluate the structural and elastic properties of TiO2. The calculated bulk and shear moduli of TiO2 confirm that the cotunnite and fluorite phases are not as hard as traditional ultrahard materials, such as diamond. The predicted phonon spectra of the cubic phases of TiO2, i.e., the fluorite and pyrite phases, show that they are dynamically unstable at ambient conditions. However, the fluorite structure can be stabilized as a metastable phase at high pressures. The pressure-induced phase transitions of TiO2 are found to depend on the starting material. The predicted pressure-induced phase transition pressures and sequence are consistent with previous experimental and theoretical studies. From the calculated Gibbs energies, we investigated the pressure-temperature phase diagram of TiO2. The calculated phase equilibria are in good agreement with the available experimental results. The currently predicted phase diagram is expected to provide helpful guidance for the future synthesis of high-pressure phases in TiO2. (C) 2013 Elsevier B. V. All rights reserved. C1 [Mei, Zhi-Gang; Wang, Yi; Shang, Shunli; Liu, Zi-Kui] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. RP Mei, ZG (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zmei@anl.gov RI Shang, Shun-Li/A-6564-2009; Wang, Yi/D-1032-2013; Mei, Zhi-Gang/D-3333-2012; Liu, Zi-Kui/A-8196-2009 OI Shang, Shun-Li/0000-0002-6524-8897; Mei, Zhi-Gang/0000-0002-4249-7532; Liu, Zi-Kui/0000-0003-3346-3696 FU TIE project of the Center for Computational Materials Design (CCMD); National Science Foundation (NSF) Industry/University Cooperative Research Center [IIP-0737759]; National Science Foundation (NSF) [DMR-1006557]; Materials Simulation Center; Research Computing and Cyber infrastructure unit at the Pennsylvania State University FX This work is funded by the TIE project of the Center for Computational Materials Design (CCMD), a National Science Foundation (NSF) Industry/University Cooperative Research Center through Grant IIP-0737759 and the National Science Foundation (NSF) through Grant No. DMR-1006557. First-principles calculations were carried out on the LION clusters supported by the Materials Simulation Center and the Research Computing and Cyber infrastructure unit at the Pennsylvania State University. NR 47 TC 6 Z9 6 U1 2 U2 60 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD FEB PY 2014 VL 83 BP 114 EP 119 DI 10.1016/j.commatsci.2013.11.020 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 285NM UT WOS:000329400700020 ER PT J AU Lekov, A Franco, V Meyers, S AF Lekov, Alex Franco, Victor Meyers, Steve TI Evaluation of energy efficiency standards for residential clothes dryers in the USA SO ENERGY EFFICIENCY LA English DT Article DE Energy efficiency; Appliance standards AB This article describes the analysis of monetary and energy savings attributable to various energy efficiency levels considered as potential US federal standards for residential clothes dryers. The analysis examined benefits to both consumers and the nation as a whole. Benefits to consumers were evaluated based on the life-cycle cost of affected appliances and the payback period associated with increased first costs. Benefits to the nation incorporate both energy and financial savings associated with each potential efficiency standard. The analysis incorporated the most current information on field use of clothes dryers, which shows that dryer usage and the moisture in clothes are less than previously thought. The analysis found that high-efficiency heat pump clothes dryers would be cost-effective for nearly one fifth of US households. However, for both electric standard and gas clothes dryers, standards that improve efficiency by 5 % appear to be the highest levels that have a positive net present value of consumer benefit. C1 [Lekov, Alex; Franco, Victor; Meyers, Steve] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm & Energy Technol Div, Berkeley, CA 94720 USA. RP Meyers, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm & Energy Technol Div, Berkeley, CA 94720 USA. EM spmeyers@lbl.gov FU US Department of Energy's Office of Energy Efficiency and Renewable Energy [DE-AC02-05CH11231] FX The work described in this report was funded by the US Department of Energy's Office of Energy Efficiency and Renewable Energy, Building Technologies Program under Contract No. DE-AC02-05CH11231. The authors acknowledge the careful editing of Moya Melody. NR 36 TC 0 Z9 0 U1 2 U2 17 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1570-646X EI 1570-6478 J9 ENERG EFFIC JI Energy Effic. PD FEB PY 2014 VL 7 IS 1 BP 133 EP 149 DI 10.1007/s12053-013-9214-x PG 17 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Environmental Studies SC Science & Technology - Other Topics; Energy & Fuels; Environmental Sciences & Ecology GA 284LW UT WOS:000329320200009 ER PT J AU De Prada, M Mancilla-David, F Dominguez-Garcia, JL Muljadi, E Singh, M Gomis-Bellmunt, O Sumper, A AF De Prada, Mikel Mancilla-David, Fernando Luis Dominguez-Garcia, Jose Muljadi, Eduard Singh, Mohit Gomis-Bellmunt, Oriol Sumper, Andreas TI Contribution of type-2 wind turbines to sub-synchronous resonance damping SO INTERNATIONAL JOURNAL OF ELECTRICAL POWER & ENERGY SYSTEMS LA English DT Article DE Wound rotor induction machine; Rotor resistance control; IEEE first benchmark model; Sub-synchronous resonance; Type-2 wind turbine ID SUBSYNCHRONOUS RESONANCE; INDUCTION-GENERATOR; POWER; FARM; SYSTEM; SSR; CONTROLLER; STABILITY; NETWORK C1 [De Prada, Mikel; Luis Dominguez-Garcia, Jose; Gomis-Bellmunt, Oriol; Sumper, Andreas] IREC Catalonia Inst Energy Res, Barcelona 08930, Spain. [Gomis-Bellmunt, Oriol; Sumper, Andreas] Univ Politecn Cataluna, CITCEA, E-08028 Barcelona, Spain. [Mancilla-David, Fernando] Univ Colorado, Dept Elect Engn, Denver, CO 80217 USA. [Muljadi, Eduard; Singh, Mohit] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP De Prada, M (reprint author), IREC Catalonia Inst Energy Res, Jardins de les Dones de Negre 1,2A, Barcelona 08930, Spain. EM mdeprada@irec.cat RI Gomis-Bellmunt, Oriol/I-3557-2014; Sumper, Andreas/F-1412-2015; OI Gomis-Bellmunt, Oriol/0000-0002-9507-8278; Sumper, Andreas/0000-0002-5628-1660; Dominguez-Garcia, Jose Luis/0000-0002-0483-995X FU Ministerio de Ciencia e Innovacion [ENE2012-33043]; U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory; EIT; KIC InnoEnergy FX This work was supported by EIT and KIC InnoEnergy under the projects OFFWINDTECH and KIC Smart Power, by the Ministerio de Ciencia e Innovacion under the project ENE2012-33043 and also supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. NR 44 TC 3 Z9 3 U1 0 U2 5 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-0615 EI 1879-3517 J9 INT J ELEC POWER JI Int. J. Electr. Power Energy Syst. PD FEB PY 2014 VL 55 BP 714 EP 722 DI 10.1016/j.ijepes.2013.10.025 PG 9 WC Engineering, Electrical & Electronic SC Engineering GA 284PT UT WOS:000329333100071 ER PT J AU Vachal, P Wendroff, B AF Vachal, Pavel Wendroff, Burton TI A symmetry preserving dissipative artificial viscosity in an r-z staggered Lagrangian discretization SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Artificial viscosity; Axi-symmetric; Dissipative; Spherical symmetry; Staggered grid Lagrangian ID ERRORS AB We present an artificial viscous force for two-dimensional axi-symmetric r-z geometry and logically rectangular grids that is dissipative, conserves the z-component of momentum and preserves spherical symmetry on an equi-angular polar grid. The method turns out to be robust and performs well for spherically symmetric problems on various grid types, without any need for problem- or grid-dependent parameters. (C) 2013 Elsevier Inc. All rights reserved. C1 [Vachal, Pavel] Czech Tech Univ, Fac Nucl Sci & Phys Engn, CR-11519 Prague 1, Czech Republic. [Wendroff, Burton] Los Alamos Natl Lab, Div Theoret, Grp T 5, Los Alamos, NM 87544 USA. RP Vachal, P (reprint author), Czech Tech Univ, Fac Nucl Sci & Phys Engn, Brehova 7, CR-11519 Prague 1, Czech Republic. EM vachal@galileo.fjfi.cvut.cz; bbw@lanl.gov RI Vachal, Pavel/G-2131-2011; OI Vachal, Pavel/0000-0002-6668-9045 FU National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory [W-7405-ENG-36, DE-AC52-06NA25396]; DOE Advanced Simulation and Computing (ASC) Program; DOE Office of Science ASCR Program; Czech Science Foundation [P201/12/P554, RVO: 68407700] FX This work was performed under the auspices of the National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory, under Contract W-7405-ENG-36 and Contract DE-AC52-06NA25396. The authors acknowledge the partial support of the DOE Advanced Simulation and Computing (ASC) Program and the DOE Office of Science ASCR Program.; Pavel Vachal has been partly supported by the Czech Science Foundation project P201/12/P554 and RVO: 68407700. NR 18 TC 4 Z9 4 U1 0 U2 3 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 FEB 1 PY 2014 VL 258 BP 118 EP 136 DI 10.1016/j.jcp.2013.10.036 PG 19 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 281RK UT WOS:000329118500007 ER PT J AU Kucharik, M Shashkov, M AF Kucharik, Milan Shashkov, Mikhail TI Conservative multi-material remap for staggered multi-material Arbitrary Lagrangian-Eulerian methods SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Conservative interpolations; Multi-material ALE; Flux-based remap; Intersection-based remap ID COMPUTING METHOD; 2-PHASE FLOW; ALGORITHM; ALE; RECONSTRUCTION; HYDRODYNAMICS; HYDROCODES; INTERFACES; SPEEDS; MESHES AB Remapping is one of the essential parts of most multi-material Arbitrary LagrangianEulerian (ALE) methods. In this paper, we present a new remapping approach in the framework of 2D staggered multi-material ALE on logically rectangular meshes. It is based on the computation of the second-order material mass fluxes (using intersections/overlays) to all neighboring cells, including the corner neighbors. Fluid mass is then remapped in a flux form as well as all other fluid quantities (internal energy, pressure). We pay a special attention to the remap of nodal quantities, performed also in a flux form. An optimizationbased approach is used for the construction of the nodal mass fluxes. The flux-corrected remap (FCR) approach for flux limiting is employed for the nodal velocity remap, which enforces bound preservation of the remapped constructed velocity field. Several examples of numerical calculations are presented, which demonstrate properties of our remapping method in the context of a full ALE algorithm. (C) 2013 Elsevier Inc. All rights reserved. C1 [Kucharik, Milan] Czech Tech Univ, Fac Nucl Sci & Phys Engn, CR-11519 Prague 1, Czech Republic. [Shashkov, Mikhail] Los Alamos Natl Lab, XCP Grp 4, Los Alamos, NM 87545 USA. RP Kucharik, M (reprint author), Czech Tech Univ, Fac Nucl Sci & Phys Engn, Brehova 7, CR-11519 Prague 1, Czech Republic. EM kucharik@newton.fjfi.cvut.cz; shashkov@lanl.gov FU National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; DOE Advanced Simulation and Computing (ASC) program; DOE Office of Science ASCR Program; Czech Ministry of Education [MSM 6840770022, MSM 6840770010, LC528]; Czech Science Foundation [P201/10/P086, RVO 68407700] FX This work was performed 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 supported by the DOE Advanced Simulation and Computing (ASC) program. The authors acknowledge the partial support of the DOE Office of Science ASCR Program. Milan Kucharik was supported by the Czech Ministry of Education grants MSM 6840770022, MSM 6840770010, and LC528, the Czech Science Foundation project P201/10/P086, and RVO 68407700. The authors thank H. Ahn, D. Bailey, A. Barlow, K. Lipnikov, P.-H. Maire, and M. Owen for fruitful and stimulating discussions over many years. NR 63 TC 14 Z9 14 U1 1 U2 21 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 FEB 1 PY 2014 VL 258 BP 268 EP 304 DI 10.1016/j.jcp.2013.10.050 PG 37 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 281RK UT WOS:000329118500014 ER PT J AU Evans, TM Mosher, SW Slattery, SR Hamilton, SP AF Evans, Thomas M. Mosher, Scott W. Slattery, Stuart R. Hamilton, Steven P. TI A Monte Carlo synthetic-acceleration method for solving the thermal radiation diffusion equation SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Radiation diffusion; Synthetic acceleration; Monte Carlo; Sparse matrix systems AB We present a novel synthetic-acceleration-based Monte Carlo method for solving the equilibrium thermal radiation diffusion equation in three spatial dimensions. The algorithm performance is compared against traditional solution techniques using a Marshak benchmark problem and a more complex multiple material problem. Our results show that our Monte Carlo method is an effective solver for sparse matrix systems. For solutions converged to the same tolerance, it performs competitively with deterministic methods including preconditioned conjugate gradient and GMRES. We also discuss various aspects of preconditioning the method and its general applicability to broader classes of problems. (C) 2013 Published by Elsevier Inc. C1 [Evans, Thomas M.; Mosher, Scott W.; Hamilton, Steven P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Slattery, Stuart R.] Univ Wisconsin, Madison, WI 53716 USA. RP Evans, TM (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM evanstm@ornl.gov; moshersw@ornl.gov; sslattery@wisc.edu; hamiltonsp@ornl.gov FU Oak Ridge National Laboratory; U.S. Department of Energy [DEAC05-00OR22725]; Los Alamos National Laboratory under U.S. Government [W-7405-ENG-36] FX Work for this paper was supported by Oak Ridge National Laboratory, which is managed and operated by UT-Battelle, LLC, for the U.S. Department of Energy under Contract No. DEAC05-00OR22725. The early part of this work was performed at Los Alamos National Laboratory under U.S. Government contract W-7405-ENG-36. NR 12 TC 1 Z9 1 U1 0 U2 4 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 FEB 1 PY 2014 VL 258 BP 338 EP 358 DI 10.1016/j.jcp.2013.10.043 PG 21 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 281RK UT WOS:000329118500017 ER PT J AU Alldredge, GW Hauck, CD O'Leary, DP Tits, AL AF Alldredge, Graham W. Hauck, Cory D. O'Leary, Dianne P. Tits, Andre L. TI Adaptive change of basis in entropy-based moment closures for linear kinetic equations SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Convex optimization; Realizability; Kinetic theory; Transport; Entropy based closures; Moment equations ID MAXIMUM-ENTROPY; RADIATIVE-TRANSFER AB Entropy-based (MN) moment closures for kinetic equations are defined by a constrained optimization problem that must be solved at every point in a space-time mesh, making it important to solve these optimization problems accurately and efficiently. We present a complete and practical numerical algorithm for solving the dual problem in onedimensional, slab geometries. The closure is only well-defined on the set of moments that are realizable from a positive underlying distribution, and as the boundary of the realizable set is approached, the dual problem becomes increasingly difficult to solve due to ill-conditioning of the Hessian matrix. To improve the condition number of the Hessian, we advocate the use of a change of polynomial basis, defined using a Cholesky factorization of the Hessian, that permits solution of problems nearer to the boundary of the realizable set. We also advocate a fixed quadrature scheme, rather than adaptive quadrature, since the latter introduces unnecessary expense and changes the computationally realizable set as the quadrature changes. For very ill-conditioned problems, we use regularization to make the optimization algorithm robust. We design a manufactured solution and demonstrate that the adaptive-basis optimization algorithm reduces the need for regularization. This is important since we also show that regularization slows, and even stalls, convergence of the numerical simulation when refining the space-time mesh. We also simulate two well-known benchmark problems. There we find that our adaptive-basis, fixed-quadrature algorithm uses less regularization than alternatives, although differences in the resulting numerical simulations are more sensitive to the regularization strategy than to the choice of basis. (C) 2013 Elsevier Inc. All rights reserved. C1 [Alldredge, Graham W.; Tits, Andre L.] Univ Maryland, Dept Elect & Comp Engn, College Pk, MD 20742 USA. [Alldredge, Graham W.; Tits, Andre L.] Univ Maryland, Syst Res Inst, College Pk, MD 20742 USA. [Hauck, Cory D.] Oak Ridge Natl Lab, Computat Math Grp, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [O'Leary, Dianne P.] Univ Maryland, Dept Comp Sci, College Pk, MD 20742 USA. [O'Leary, Dianne P.] Univ Maryland, Inst Adv Comp Studies, College Pk, MD 20742 USA. RP Alldredge, GW (reprint author), Univ Maryland, Dept Elect & Comp Engn, College Pk, MD 20742 USA. EM alldredge@mathcces.rwth-aachen.de; hauckc@ornl.gov; oleary@cs.umd.edu; andre@umd.edu FU U.S. Department of Energy [DESC0001862]; Office of Advanced Scientific Computing Research and performed at the Oak Ridge National Laboratory [De-AC05-00OR22725] FX Supported by the U.S. Department of Energy, under Grant DESC0001862.; This author's research was sponsored by the Office of Advanced Scientific Computing Research and performed at the Oak Ridge National Laboratory, which is managed by UT-Battelle, LLC under Contract No. De-AC05-00OR22725. NR 34 TC 9 Z9 9 U1 0 U2 1 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 FEB 1 PY 2014 VL 258 BP 489 EP 508 DI 10.1016/j.jcp.2013.10.049 PG 20 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 281RK UT WOS:000329118500025 ER PT J AU Chen, G Chacon, L Leibs, CA Knoll, DA Taitano, W AF Chen, G. Chacon, L. Leibs, C. A. Knoll, D. A. Taitano, W. TI Fluid preconditioning for Newton-Krylov-based, fully implicit, electrostatic particle-in-cell simulations SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Electrostatic particle-in-cell; Implicit methods; Direct implicit; Implicit moment; Energy conservation; Charge conservation; Physics based preconditioner; JFNK solver ID PLASMA SIMULATION; NONLINEARLY IMPLICIT; ALGORITHM; ENERGY AB A recent proof-of-principle study proposes an energy- and charge-conserving, nonlinearly implicit electrostatic particle-in-cell (PIC) algorithm in one dimension [9]. The algorithm in the reference employs an unpreconditioned Jacobian-free Newton-Krylov method, which ensures nonlinear convergence at every timestep (resolving the dynamical timescale of interest). Kinetic enslavement, which is one key component of the algorithm, not only enables fully implicit PIC as a practical approach, but also allows preconditioning the kinetic solver with a fluid approximation. This study proposes such a preconditioner, in which the linearized moment equations are closed with moments computed from particles. Effective acceleration of the linear GMRES solve is demonstrated, on both uniform and non-uniform meshes. The algorithm performance is largely insensitive to the electron-ion mass ratio. Numerical experiments are performed on a 1D multi-scale ion acoustic wave test problem. (C) 2013 Elsevier Inc. All rights reserved. C1 [Chen, G.; Chacon, L.; Knoll, D. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Leibs, C. A.] Univ Colorado, Boulder, CO 80309 USA. [Taitano, W.] Univ New Mexico, Albuquerque, NM 87131 USA. RP Chen, G (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM gchen@lanl.gov RI Chen, Guangye /K-3192-2012; OI Chacon, Luis/0000-0002-4566-8763; Chen, Guangye/0000-0002-8800-5791 FU Office of Fusion Energy Sciences at Oak Ridge National Laboratory; Los Alamos National Laboratory (LANL) Directed Research and Development Program; US Department of Energy at Oak Ridge National Laboratory [DE-AC05-000R22725]; National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work was partially sponsored by the Office of Fusion Energy Sciences at Oak Ridge National Laboratory, and by the Los Alamos National Laboratory (LANL) Directed Research and Development Program. This work was performed under the auspices of the US Department of Energy at Oak Ridge National Laboratory, managed by UT-Battelle, LLC under contract DE-AC05-000R22725, and the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory, managed by LANS, LLC under contract DE-AC52-06NA25396. NR 27 TC 9 Z9 9 U1 0 U2 5 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 FEB 1 PY 2014 VL 258 BP 555 EP 567 DI 10.1016/j.jcp.2013.10.052 PG 13 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 281RK UT WOS:000329118500029 ER PT J AU Godfrey, BB Vay, JL Haber, I AF Godfrey, Brendan B. Vay, Jean-Luc Haber, Irving TI Numerical stability analysis of the pseudo-spectral analytical time-domain PIC algorithm SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Particle-in-cell; Pseudo spectral; Relativistic beam; Numerical stability ID NONSTANDARD FINITE-DIFFERENCES; CHARGE CONSERVATION; PARTICLE CODES; SIMULATIONS; PLASMA; INSTABILITIES AB The pseudo-spectral analytical time-domain (PSATD) particle-in-cell (PIC) algorithm solves the vacuum Maxwell's equations exactly, has no Courant time-step limit (as conventionally defined), and offers substantial flexibility in plasma and particle beam simulations. It is, however, not free of the usual numerical instabilities, including the numerical Cherenkov instability, when applied to relativistic beam simulations. This paper derives and solves the numerical dispersion relation for the PSATD algorithm and compares the results with corresponding behavior of the more conventional pseudo-spectral time-domain (PSTD) and finite difference time-domain (FDTD) algorithms. In general, PSATD offers superior stability properties over a reasonable range of time steps. More importantly, one version of the PSATD algorithm, when combined with digital filtering, is almost completely free of the numerical Cherenkov instability for time steps (scaled to the speed of light) comparable to or smaller than the axial cell size. (C) 2013 Elsevier Inc. All rights reserved. C1 [Godfrey, Brendan B.; Haber, Irving] Univ Maryland, College Pk, MD 20742 USA. [Vay, Jean-Luc] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Godfrey, BB (reprint author), Univ Maryland, College Pk, MD 20742 USA. EM brendan.godfrey@ieee.org RI Godfrey, Brendan/D-8204-2011 OI Godfrey, Brendan/0000-0003-2311-7060 FU Office of Science, Office of High Energy Physics, U.S. Dept. of Energy [DE-AC02-05CH11231]; S-DOE SciDAC ComPASS collaboration FX We thank David Grote for support with the code WARP. This work was supported in part by the Director, Office of Science, Office of High Energy Physics, U.S. Dept. of Energy under Contract No. DE-AC02-05CH11231 and the US-DOE SciDAC ComPASS collaboration, and used resources of the National Energy Research Scientific Computing Center. NR 31 TC 22 Z9 22 U1 2 U2 10 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 FEB 1 PY 2014 VL 258 BP 689 EP 704 DI 10.1016/j.jcp.2013.10.053 PG 16 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 281RK UT WOS:000329118500036 ER PT J AU Li, WX Lin, G Zhang, DX AF Li, Weixuan Lin, Guang Zhang, Dongxiao TI An adaptive ANOVA-based PCKF for high-dimensional nonlinear inverse modeling SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Uncertainty quantification; Inverse modeling; Adaptive ANOVA; Kalman filter; Polynomial chaos ID DATA ASSIMILATION; KALMAN FILTER; UNCERTAINTY; REPRESENTATIONS; SIMULATIONS; CHAOS AB The probabilistic collocation-based Kalman filter (PCKF) is a recently developed approach for solving inverse problems. It resembles the ensemble Kalman filter (EnKF) in every aspect-except that it represents and propagates model uncertainty by polynomial chaos expansion (PCE) instead of an ensemble of model realizations. Previous studies have shown PCKF is a more efficient alternative to EnKF for many data assimilation problems. However, the accuracy and efficiency of PCKF depends on an appropriate truncation of the PCE series. Having more polynomial chaos basis functions in the expansion helps to capture uncertainty more accurately but increases computational cost. Selection of basis functions is particularly important for high-dimensional stochastic problems because the number of polynomial chaos basis functions required to represent model uncertainty grows dramatically as the number of input parameters (random dimensions) increases. In classic PCKF algorithms, the PCE basis functions are pre-set based on users' experience. Also, for sequential data assimilation problems, the basis functions kept in PCE expression remain unchanged in different Kalman filter loops, which could limit the accuracy and computational efficiency of classic PCKF algorithms. To address this issue, we present a new algorithm that adaptively selects PCE basis functions for different problems and automatically adjusts the number of basis functions in different Kalman filter loops. The algorithm is based on adaptive functional ANOVA (analysis of variance) decomposition, which approximates a high-dimensional function with the summation of a set of low-dimensional functions. Thus, instead of expanding the original model into PCE, we implement the PCE expansion on these low-dimensional functions, which is much less costly. We also propose a new adaptive criterion for ANOVA that is more suited for solving inverse problems. The new algorithm was tested with different examples and demonstrated great effectiveness in comparison with non-adaptive PCKF and EnKF algorithms. (C) 2013 Elsevier Inc. All rights reserved. C1 [Li, Weixuan] Univ So Calif, Sonny Astani Dept Civil & Environm Engn, Los Angeles, CA 90089 USA. [Lin, Guang] Pacific NW Natl Lab, Richland, WA 99352 USA. [Zhang, Dongxiao] Peking Univ, Dept Energy & Resources Engn, Coll Engn, Beijing 100871, Peoples R China. RP Zhang, DX (reprint author), Peking Univ, Dept Energy & Resources Engn, Coll Engn, Beijing 100871, Peoples R China. EM weixuan.li@usc.edu; guang.lin@pnnl.gov; dxz@pku.edu.cn RI Zhang, Dongxiao/D-5289-2009; Li, Weixuan/A-1855-2014 OI Zhang, Dongxiao/0000-0001-6930-5994; FU China Scholarship Council [2009601077]; US NSF Recovery Act (ARRA) Award ACI grant [0904754]; US Department of Energy (DOE) Office of Sciences Advanced Scientific Computing Research Applied Mathematics program; US Department of Energy [DE-AC05-76RL01830]; National Science and Technology Major Project of China [2011ZX05009-006, 2011ZX05052]; National Key Technology R&D Program of China [2012BAC24B02] FX The first author would like to acknowledge support from the China Scholarship Council through Grant 2009601077 and by US NSF Recovery Act (ARRA) Award ACI grant 0904754. The second author would like to acknowledge support from the US Department of Energy (DOE) Office of Sciences Advanced Scientific Computing Research Applied Mathematics program. Computations were performed using the computational resources of the National Energy Research Scientific Computing Center at Lawrence Berkeley National Laboratory, PNNL Institutional Computing cluster systems, and the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL). EMSL is a DOE national scientific user facility located at PNNL. The Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy under Contract DE-AC05-76RL01830. The third author acknowledges the funding from the National Science and Technology Major Project of China through grants 2011ZX05009-006 and 2011ZX05052, as well as the National Key Technology R&D Program of China (Grant No. 2012BAC24B02). NR 29 TC 8 Z9 8 U1 0 U2 4 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 FEB 1 PY 2014 VL 258 BP 752 EP 772 DI 10.1016/j.jcp.2013.11.019 PG 21 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 281RK UT WOS:000329118500040 ER PT J AU Jardine, K Wegener, F Abrell, L van Haren, J Werner, C AF Jardine, Kolby Wegener, Frederik Abrell, Leif van Haren, Joost Werner, Christiane TI Phytogenic biosynthesis and emission of methyl acetate SO PLANT CELL AND ENVIRONMENT LA English DT Article DE acetyl fragment; dynamic pulse chase; methyl acetate; pyruvate positional labelling; secondary metabolism; stable carbon isotopes; volatile organic compound ID ORGANIC-COMPOUND EMISSIONS; REACTION-MASS-SPECTROMETRY; LEAF-RESPIRED CO2; VOLATILE COMPOUNDS; ISOTOPIC COMPOSITION; DIURNAL-VARIATION; ESTER FORMATION; METABOLISM; LEAVES; ACETYLTRANSFERASE AB Acetylation of plant metabolites fundamentally changes their volatility, solubility and activity as semiochemicals. Here we present a new technique termed dynamic C-13-pulse chasing to track the fate of C1-3 carbon atoms of pyruvate into the biosynthesis and emission of methyl acetate (MA) and CO2. C-13-labelling of MA and CO2 branch emissions respond within minutes to changes in C-13-positionally labelled pyruvate solutions fed through the transpiration stream. Strong C-13-labelling of MA emissions occurred only under pyruvate-2-C-13 and pyruvate-2,3-C-13 feeding, but not pyruvate-1-C-13 feeding. In contrast, strong (CO2)-C-13 emissions were only observed under pyruvate-1-C-13 feeding. These results demonstrate that MA (and other volatile and non-volatile metabolites) derive from the C-2,C-3 atoms of pyruvate while the C-1 atom undergoes decarboxylation. The latter is a non-mitochondrial source of CO2 in the light generally not considered in studies of CO2 sources and sinks. Within a tropical rainforest mesocosm, we also observed atmospheric concentrations of MA up to 0.6 ppbv that tracked light and temperature conditions. Moreover, signals partially attributed to MA were observed in ambient air within and above a tropical rainforest in the Amazon. Our study highlights the potential importance of acetyl coenzyme A (CoA) biosynthesis as a source of acetate esters and CO2 to the atmosphere. C1 [Jardine, Kolby] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Climate Sci Dept, Div Earth Sci, Berkeley, CA 94720 USA. [Wegener, Frederik; Werner, Christiane] Univ Bayreuth, D-95447 Bayreuth, Germany. [Wegener, Frederik] Univ Bielefeld, D-33615 Bielefeld, Germany. [Abrell, Leif] Univ Arizona, Dept Soil Water & Environm Sci, Dept Chem & Biochem, Tucson, AZ 85721 USA. [van Haren, Joost] Univ Arizona, Tucson, AZ 85721 USA. RP Jardine, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Climate Sci Dept, Div Earth Sci, Berkeley, CA 94720 USA. EM kjjardine@lbl.gov RI Werner, Christiane/B-2948-2009; Jardine, Kolby/N-2802-2013; OI Werner, Christiane/0000-0002-7676-9057; Jardine, Kolby/0000-0001-8491-9310; Abrell, Leif/0000-0003-2490-1180 FU Office of Biological and Environmental Research of the U.S. Department of Energy [DE-AC02-05CH11231]; Philecology Foundation of Fort Worth, Texas; National Science Foundation [CHE 0216226]; Germany Science Foundation (DFG) [WE 2681/5-1] FX This research was supported by the Office of Biological and Environmental Research of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 as part of their Terrestrial Ecosystem Science Program. Additional funding for this project came from the Philecology Foundation of Fort Worth, Texas, the National Science Foundation (CHE 0216226), and the Germany Science Foundation (DFG, WE 2681/5-1). We greatly thank the helpful edits, comments and discussions from Pawel Misztal, Nick Hewitt and Peter Harley. NR 55 TC 6 Z9 6 U1 2 U2 21 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0140-7791 EI 1365-3040 J9 PLANT CELL ENVIRON JI Plant Cell Environ. PD FEB PY 2014 VL 37 IS 2 BP 414 EP 424 DI 10.1111/pce.12164 PG 11 WC Plant Sciences SC Plant Sciences GA 284HH UT WOS:000329306200013 PM 23862653 ER PT J AU Kishishita, S Yoshimi, M Fujii, T Taylor, LE Decker, SR Ishikawa, K Inoue, H AF Kishishita, Seiichiro Yoshimi, Miho Fujii, Tatsuya Taylor, Larry E., II Decker, Stephen R. Ishikawa, Kazuhiko Inoue, Hiroyuki TI Cellulose-inducible xylanase Xyl10A from Acremonium cellulolyticus: Purification, cloning and homologous expression SO PROTEIN EXPRESSION AND PURIFICATION LA English DT Article DE Thermostable xylanase; Hemicellulose Homologous expression; Glycoside hydrolase family 10; Glycosylation ID TRICHODERMA-REESEI; GH10 XYLANASE; PERFORMANCE; ENZYMES; IDENTIFICATION; SEQUENCE; CULTURE; SYSTEM; MODULE; FUNGI AB Cellulose-inducible endo-beta-1,4-xylanase (Xyl10A) from the mesophilic fungus Acremonium cellulolyticus was purified, characterized, and expressed by a homologous expression system. A. cellulolydcus CF2612 produces a high level of xylanase upon induction by Solka-Floc cellulose. To identify this xylanase, the major fraction showing xylanase activity was purified from the CF-2612 culture supernatant, and its gene was identified from the genome sequence. Amino acid sequence homology of Xyl10A revealed that the purified xylanase, designated Xyl10A, exhibited significant homology to family 10 of the glycoside hydrolases (GH10), possessing a cellulose-binding module 1 in the C-terminal region. The xyl10A gene was cloned and expressed in A. cellulolyticus under the control of a glucoamylase promoter. Two recombinant Xyl10As (Xyl10A-I, 53 kDa, and Xyl10A-II, 51 kDa) were purified that have slightly different molecular weights based on SDS-PAGE. The Xyl10As had the same physicochemical and enzymatic properties as wtXyllOA: high thermostability (T-m 80.5 degrees C), optimum pH 5.0 and specific activity 232-251 U/mg for birchwood xylan. The molecular weights of N-deglycosylated Xyl10As were consistent with that of wild-type Xyl10A(wtXyll OA, 51 kDa). CI 2013 Elsevier Inc. All rights reserved. C1 [Kishishita, Seiichiro; Yoshimi, Miho; Fujii, Tatsuya; Ishikawa, Kazuhiko; Inoue, Hiroyuki] Natl Inst Adv Ind Sci & Technol, Biomass Refinery Res Ctr, Higashihiroshima, Hiroshima 7390046, Japan. [Taylor, Larry E., II; Decker, Stephen R.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. RP Inoue, H (reprint author), Natl Inst Adv Ind Sci & Technol, Biomass Refinery Res Ctr, 3-11-32 Kagamiyama, Higashihiroshima, Hiroshima 7390046, Japan. EM inoue-h@aist.go.jp RI Inoue, Hiroyuki/L-9990-2016 OI Inoue, Hiroyuki/0000-0003-0190-2893 FU Japan-U.S. Cooperation Project for Research and Standardization of Clean Energy Technologies FX This work was supported by the Japan-U.S. Cooperation Project for Research and Standardization of Clean Energy Technologies. NR 29 TC 5 Z9 6 U1 1 U2 26 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1046-5928 EI 1096-0279 J9 PROTEIN EXPRES PURIF JI Protein Expr. Purif. PD FEB PY 2014 VL 94 BP 40 EP 45 DI 10.1016/j.pep.2013.10.020 PG 6 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 287ST UT WOS:000329563200006 PM 24211645 ER PT J AU Christensen, DM Iddins, CJ Sugarman, SL AF Christensen, Doran M. Iddins, Carol J. Sugarman, Stephen L. TI Ionizing Radiation Injuries and Illnesses SO EMERGENCY MEDICINE CLINICS OF NORTH AMERICA LA English DT Article DE Acute radiation syndrome; Hematopoietic syndrome; Cutaneous syndrome; Cutaneous radiation syndrome; Acute local radiation injury; Radiological; Nuclear ID GLOBAL CONSENSUS; CANCER-RISK; CHERNOBYL; ACCIDENT; MANAGEMENT; CHILDHOOD AB Although the spectrum of information related to diagnosis and management of radiation injuries and illnesses is vast and as radiation contamination incidents are rare, most emergency practitioners have had little to no practical experience with such cases. Exposures to ionizing radiation and internal contamination with radioactive materials can cause significant tissue damage and conditions. Emergency practitioners unaware of ionizing radiation as the cause of a condition may miss the diagnosis of radiation-induced injury or illness. This article reviews the pertinent terms, physics, radiobiology, and medical management of radiation injuries and illnesses that may confront the emergency practitioner. C1 [Christensen, Doran M.; Iddins, Carol J.; Sugarman, Stephen L.] ORAU, US DOE, REAC TS, ORISE, Oak Ridge, TN 37831 USA. RP Christensen, DM (reprint author), ORAU, US DOE, REAC TS, ORISE, POB 117,MS-39, Oak Ridge, TN 37831 USA. EM doran.christensen@orau.org FU ORAU FX Funding Sources: ORAU. NR 42 TC 8 Z9 8 U1 2 U2 17 PU W B SAUNDERS CO-ELSEVIER INC PI PHILADELPHIA PA 1600 JOHN F KENNEDY BOULEVARD, STE 1800, PHILADELPHIA, PA 19103-2899 USA SN 0733-8627 EI 1558-0539 J9 EMERG MED CLIN N AM JI Emerg. Med. Clin. N. Am. PD FEB PY 2014 VL 32 IS 1 BP 245 EP + DI 10.1016/j.emc.2013.10.002 PG 23 WC Emergency Medicine SC Emergency Medicine GA 281FT UT WOS:000329086100013 PM 24275177 ER PT J AU McLaughlin, MF Robertson, D Pevsner, PH Wall, JS Mirzadeh, S Kennel, SJ AF McLaughlin, Mark F. Robertson, David Pevsner, Paul H. Wall, Jonathan S. Mirzadeh, Saed Kennel, Stephen J. TI LnPO(4) Nanoparticles Doped with Ac-225 and Sequestered Daughters for Targeted Alpha Therapy SO CANCER BIOTHERAPY AND RADIOPHARMACEUTICALS LA English DT Article DE Ac-225; alpha therapy; nanoparticle ID IN-VIVO; MONOCLONAL-ANTIBODY; RADIOIMMUNOTHERAPY; MICROMETASTASES; CANCER; LUNG; MICE; LIPOSOMES; GENERATOR; BI-213 AB For targeted alpha therapy (TAT) with Ac-225, daughter radioisotopes from the parent emissions should be controlled. Here, we report on a second-generation layered nanoparticle (NP) with improved daughter retention that can mediate TAT of lung tumor colonies. NPs of La3+, Gd3+, and Ac-225(3+) ions were coated with additional layers of GdPO4 and then coated with gold via citrate reduction of NaAuCl4. MAb 201b, targeting thrombomodulin in lung endothelium, was added to a polyethylene glycol (dPEG)-COOH linker. The NPs:mAb ratio was quantified by labeling the mAb with I-125. NPs showed 30% injected dose/organ antibody-mediated uptake in the lung, which increased to 47% in mice pretreated with clodronate liposomes to reduce phagocytosis. Retention of daughter Bi-213 in lung tissue was more than 70% at one hour and about 90% at 24 hours postinjection. Treatment of mice with lung-targeted Ac-225 NP reduced EMT-6 lung colonies relative to cold antibody competition for targeting or phosphate-buffered saline injected controls. We conclude that LnPO(4) NPs represent a viable solution to deliver the Ac-225 as an in vivo generator. The NPs successfully retain a large percentage of the daughter products without compromising the tumoricidal properties of the -radiation. C1 [McLaughlin, Mark F.; Robertson, David] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. [McLaughlin, Mark F.; Robertson, David] Univ Missouri, Univ Missouri Res Reactor, Columbia, MO 65211 USA. [McLaughlin, Mark F.; Mirzadeh, Saed] Oak Ridge Natl Lab, Nucl Safety & Isotopes Technol Div, Oak Ridge, TN USA. [Pevsner, Paul H.] Univ Missouri, Dept Pathol, Columbia, MO 65201 USA. [Pevsner, Paul H.] Univ Missouri, Dept Elect & Comp Engn, Columbia, MO USA. [Wall, Jonathan S.; Kennel, Stephen J.] Univ Tennessee, Grad Sch Med, Knoxville, TN 37920 USA. RP Kennel, SJ (reprint author), Univ Tennessee, Grad Sch Med, 1924 Alcoa Highway,2nd Floor Res, Knoxville, TN 37920 USA. EM skennel@utmck.edu FU Isotope Production/Distribution Program, Office of Nuclear Physics of the U.S. Department of Energy (DOE); DOE Nuclear Energy University Program Graduate Fellowship; Office of Basic Energy Sciences, U.S. DOE; U.S. Department of energy [DE-AC05-00OR22725]; Molecular Imaging and Translational Research Program of the University of Tennessee Graduate School of Medicine FX Research supported in part by the Isotope Production/Distribution Program, Office of Nuclear Physics of the U.S. Department of Energy (DOE), and under a DOE Nuclear Energy University Program Graduate Fellowship. A portion of this research 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. DOE. ORNL is managed by UT-Battelle, LLC, for the U.S. Department of energy under contract DE-AC05-00OR22725. These studies were supported by the Molecular Imaging and Translational Research Program of the University of Tennessee Graduate School of Medicine. Technical assistance was provided by Alan Stuckey, Craig Wooliver, and Sally Macy. NR 28 TC 6 Z9 6 U1 1 U2 22 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1084-9785 EI 1557-8852 J9 CANCER BIOTHER RADIO JI Cancer Biother. Radiopharm. PD FEB 1 PY 2014 VL 29 IS 1 BP 34 EP 41 DI 10.1089/cbr.2013.1546 PG 8 WC Oncology; Medicine, Research & Experimental; Pharmacology & Pharmacy; Radiology, Nuclear Medicine & Medical Imaging SC Oncology; Research & Experimental Medicine; Pharmacology & Pharmacy; Radiology, Nuclear Medicine & Medical Imaging GA 273SV UT WOS:000328557500005 PM 24102173 ER PT J AU Cinquin, BP Do, M McDermott, G Walters, AD Myllys, M Smith, EA Cohen-Fix, O Le Gros, MA Larabell, CA AF Cinquin, Bertrand P. Do, Myan McDermott, Gerry Walters, Alison D. Myllys, Markko Smith, Elizabeth A. Cohen-Fix, Orna Le Gros, Mark A. Larabell, Carolyn A. TI Putting Molecules in Their Place SO JOURNAL OF CELLULAR BIOCHEMISTRY LA English DT Article DE CORRELATED; IMAGING; FLUORESCENCE; MICROSCOPY; SOFT X-RAY; TOMOGRAPHY ID X-RAY MICROSCOPY; CRYO-LIGHT MICROSCOPY; ELECTRON-MICROSCOPY; CORRELATIVE MICROSCOPY; CRYOELECTRON TOMOGRAPHY; FLUORESCENT PROTEINS; BIOLOGICAL-MATERIALS; CELLS; SUPERRESOLUTION; ARCHITECTURE AB Each class of microscope is limited to imaging specific aspects of cell structure and/or molecular organization. However, imaging the specimen by complementary microscopes and correlating the data can overcome this limitation. Whilst not a new approach, the field of correlative imaging is currently benefitting from the emergence of new microscope techniques. Here we describe the correlation of cryogenic fluorescence tomography (CFT) with soft X-ray tomography (SXT). This amalgamation of techniques integrates 3D molecular localization data (CFT) with a high-resolution, 3D cell reconstruction of the cell (SXT). Cells are imaged in both modalities in a near-native, cryopreserved state. Here we describe the current state of the art in correlative CFT-SXT, and discuss the future outlook for this method. J. Cell. Biochem. 115: 209-216, 2014. (c) 2013 Wiley Periodicals, Inc. C1 [Cinquin, Bertrand P.; Do, Myan; McDermott, Gerry; Smith, Elizabeth A.; Le Gros, Mark A.; Larabell, Carolyn A.] Univ Calif San Francisco, Dept Anat, San Francisco, CA 94143 USA. [Walters, Alison D.; Cohen-Fix, Orna] NIDDK, NIH, Bethesda, MD 20892 USA. [Myllys, Markko] Univ Jyvaskyla, Dept Phys, Jyvaskyla, Finland. [Le Gros, Mark A.; Larabell, Carolyn A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Larabell, CA (reprint author), Univ Calif San Francisco, Dept Anat, 1550,4th St,Box 2722, San Francisco, CA 94143 USA. EM carolyn.larabell@ucsf.edu FU NIH-NIGMS [P41 GM103445]; US DOE-BER [DE-AC02-05CH11231]; NIH-NIDDK [Intramural] FX Grant sponsor: NIH-NIGMS; Grant number: P41 GM103445; Grant sponsor: US DOE-BER; Grant number: DE-AC02-05CH11231; Grant sponsor: NIH-NIDDK; Grant number: Intramural. NR 55 TC 12 Z9 13 U1 0 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0730-2312 EI 1097-4644 J9 J CELL BIOCHEM JI J. Cell. Biochem. PD FEB PY 2014 VL 115 IS 2 BP 209 EP 216 DI 10.1002/jcb.24658 PG 8 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 271XF UT WOS:000328424200001 PM 23966233 ER PT J AU Adzima, BJ Taylor, SC He, HK Luebke, DR Matyjaszewski, K Nulwala, HB AF Adzima, Brian J. Taylor, Steve C. He, Hongkun Luebke, David R. Matyjaszewski, Krzysztof Nulwala, Hunaid B. TI Vinyl-Triazolium Monomers: Versatile and New Class of Radically Polymerizable Ionic Monomers SO JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY LA English DT Article DE poly(ionic liquid)s; radical polymerization; vinyl triazole; vinyl triazolium ID POLY(IONIC LIQUID)S; CLICK CHEMISTRY; N-VINYLTRIAZOLES; BLOCK-COPOLYMERS; MEMBRANES; CONDUCTION; CO2; ELECTROLYTES; TEMPERATURE; PERFORMANCE AB A set of eight functional 4-vinyl-1,2,3-triazolium monomers were synthesized using copper catalyzed azide-alkyne 2 + 3 Huisgen cycloaddition. These vinyl-trizolium monomers readily polymerized via free radical polymerization. The physical properties of the vinyl-triazolium based poly(ionic liquid)s (PILs) are strongly dependent on the pendant functional groups. These polymers were characterized for glass transition temperature (T-g), solubility, and the thermal decomposition. The vinyl-triazolium based PILs offer an efficient route to highly functional PILs with the advantage of facile synthesis and the ability to incorporate many desirable functional moieties. (c) 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014, 52, 417-423 C1 [Adzima, Brian J.; Taylor, Steve C.; Luebke, David R.; Nulwala, Hunaid B.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Adzima, Brian J.; He, Hongkun; Matyjaszewski, Krzysztof; Nulwala, Hunaid B.] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA. RP Nulwala, HB (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM km3b@andrew.cmu.edu; hnulwala@andrew.cmu.edu RI Nulwala, Hunaid/G-8126-2012; He, Hongkun/B-4759-2011; Matyjaszewski, Krzysztof/A-2508-2008 OI Nulwala, Hunaid/0000-0001-7481-3723; He, Hongkun/0000-0002-7214-3313; Matyjaszewski, Krzysztof/0000-0003-1960-3402 FU U.S. Department of Energy's National Energy Technology Laboratory [DE-FE0004000] FX This technical effort was performed in support of the U.S. Department of Energy's National Energy Technology Laboratory's ongoing research on CO2 capture under the contract DE-FE0004000. NMR instrumentation at CMU was partially supported by NSF (CHE-1039870). NR 42 TC 35 Z9 35 U1 4 U2 85 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-624X EI 1099-0518 J9 J POLYM SCI POL CHEM JI J. Polym. Sci. Pol. Chem. PD FEB 1 PY 2014 VL 52 IS 3 BP 417 EP 423 DI 10.1002/pola.27016 PG 7 WC Polymer Science SC Polymer Science GA 272SP UT WOS:000328481200015 ER PT J AU Rogers, A AF Rogers, Alistair TI The use and misuse of Vc,max in Earth System Models SO PHOTOSYNTHESIS RESEARCH LA English DT Review DE Rubisco; Vc,max; Leaf nitrogen; Earth System Models ID TERRESTRIAL ECOSYSTEM MODELS; GLOBAL VEGETATION MODEL; CARBON CYCLE FEEDBACK; LAND-SURFACE MODEL; RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE; PHOTOSYNTHETIC CAPACITY; STOMATAL CONDUCTANCE; NITROGEN NUTRITION; BIOSPHERE MODEL; ELEVATED CO2 AB Earth System Models (ESMs) aim to project global change. Central to this aim is the need to accurately model global carbon fluxes. Photosynthetic carbon dioxide assimilation by the terrestrial biosphere is the largest of these fluxes, and in many ESMs is represented by the Farquhar, von Caemmerer and Berry (FvCB) model of photosynthesis. The maximum rate of carboxylation by the enzyme Rubisco, commonly termed Vc,max, is a key parameter in the FvCB model. This study investigated the derivation of the values of Vc,max used to represent different plant functional types (PFTs) in ESMs. Four methods for estimating Vc,max were identified; (1) an empirical or (2) mechanistic relationship was used to relate Vc,max to leaf N content, (3) Vc,max was estimated using an approach based on the optimization of photosynthesis and respiration or (4) calibration of a user-defined Vc,max to obtain a target model output. Despite representing the same PFTs, the land model components of ESMs were parameterized with a wide range of values for Vc,max (-46 to +77 % of the PFT mean). In many cases, parameterization was based on limited data sets and poorly defined coefficients that were used to adjust model parameters and set PFT-specific values for Vc,max. Examination of the models that linked leaf N mechanistically to Vc,max identified potential changes to fixed parameters that collectively would decrease Vc,max by 31 % in C-3 plants and 11 % in C-4 plants. Plant trait data bases are now available that offer an excellent opportunity for models to update PFT-specific parameters used to estimate Vc,max. However, data for parameterizing some PFTs, particularly those in the Tropics and the Arctic are either highly variable or largely absent. C1 Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. RP Rogers, A (reprint author), Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. EM arogers@bnl.gov RI Rogers, Alistair/E-1177-2011 OI Rogers, Alistair/0000-0001-9262-7430 FU Laboratory Directed Research and Development funds at Brookhaven National Laboratory; The Next-Generation Ecosystem Experiments (NGEE Arctic) project; Office of Biological and Environmental Research in the Department of Energy, Office of Science; United States Department of Energy [DE-AC02-98CH10886] FX The Author is grateful to Vivek Arora, Douglas Clark, Rosie Fischer, Jinjun Ji, David Kubien, Joe Melton, Jared Oyler, Steve Running, Khachik Sargsyan, Peter Thornton, and Weile Wang for sharing unpublished work, providing model parameters and useful discussion. The author is also grateful for the constructive criticism received from two anonymous reviewers. This study was supported by Laboratory Directed Research and Development funds at Brookhaven National Laboratory, by The Next-Generation Ecosystem Experiments (NGEE Arctic) project that is supported by the Office of Biological and Environmental Research in the Department of Energy, Office of Science, and through the United States Department of Energy contract No. DE-AC02-98CH10886 to Brookhaven National Laboratory. NR 103 TC 38 Z9 38 U1 3 U2 56 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0166-8595 EI 1573-5079 J9 PHOTOSYNTH RES JI Photosynth. Res. PD FEB PY 2014 VL 119 IS 1-2 BP 15 EP 29 DI 10.1007/s11120-013-9818-1 PG 15 WC Plant Sciences SC Plant Sciences GA 277VS UT WOS:000328848000003 PM 23564478 ER PT J AU Davis, M Matmon, A Placzek, CJ McIntosh, W Rood, DH Quade, J AF Davis, M. Matmon, A. Placzek, C. J. McIntosh, W. Rood, D. H. Quade, J. TI Cosmogenic nuclides in buried sediments from the hyperarid Atacama Desert, Chile SO QUATERNARY GEOCHRONOLOGY LA English DT Article DE Atacama Desert; Cosmogenic nuclides; Hyperaridity; Al-26-Be-10 burial dating; Ar-40/Ar-39 dating ID SALAR-DE-ATACAMA; NORTHERN CHILE; LANDSCAPE EVOLUTION; PRODUCTION-RATES; AMS STANDARDS; MIOCENE AGE; EROSION; AL-26; BE-10; BASIN AB The evolution of Terrestrial Cosmogenic Nuclides (TCN) from an alluvial section in the Atacama Desert is examined. We reconstruct a burial history for the last similar to 10 Ma using Ar-40/Ar-39 dating of volcanic ash layers interbedded with alluvial sediments; this independent dating allows us to distinguish between the effects of erosion, post-burial subsurface production, and radioactive decay during burial on TCN concentrations. Our TCN results show significant post-burial production, which is the result of the extremely slow sedimentation rate (similar to 3 m/Ma) and the old age of the sediments. Although distinct differences in TCN concentrations are apparent between the lower and upper parts of the sedimentary section, we show that these differences are most likely related to post-burial production and age, and not to changes in bedrock erosion rates or changes in elevation due to tectonic activity. Our approach provides a test to the applicability of the two-isotope cosmogenic burial dating system (Al-26-Be-10) in regions of extremely slow sedimentation rates. Our results reveal geomorphic stability in terms of erosion and sedimentation rates for the late Miocene-Pliocene in the Atacama Desert. (C) 2013 Elsevier B.V. All rights reserved. C1 [Davis, M.; Matmon, A.] Hebrew Univ Jerusalem, Inst Earth Sci, IL-91904 Jerusalem, Israel. [Placzek, C. J.] James Cook Univ, Sch Earth & Environm Sci, Townsville, Qld 4811, Australia. [Placzek, C. J.] James Cook Univ, Ctr Trop & Environm Sustainabil Sci, Townsville, Qld 4811, Australia. [McIntosh, W.] New Mexico Inst Min & Technol, Geochronol Lab, Socorro, NM 87801 USA. [Rood, D. H.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Rood, D. H.] Univ Calif Santa Barbara, Earth Res Inst, Santa Barbara, CA 93106 USA. [Rood, D. H.] Scottish Univ Environm Res Ctr SUERC, E Kilbride G75 0QF, Lanark, Scotland. [Quade, J.] Univ Arizona, Dept Geosci, Tucson, AZ 85721 USA. RP Davis, M (reprint author), Hebrew Univ Jerusalem, Inst Earth Sci, IL-91904 Jerusalem, Israel. EM michael.davis@mail.huji.ac.il RI James Cook University, TESS/B-8171-2012 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; ISF-BIKURA [362/06] FX Portions of this work were performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. We thank O. Tirosh for ICP-AES analysis and S. Mazeh for lab assistance. This research was funded by ISF-BIKURA grant 362/06. NR 51 TC 2 Z9 2 U1 2 U2 20 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1871-1014 EI 1878-0350 J9 QUAT GEOCHRONOL JI Quat. Geochronol. PD FEB PY 2014 VL 19 SI SI BP 117 EP 126 DI 10.1016/j.quageo.2013.06.006 PG 10 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 275FP UT WOS:000328662000011 ER PT J AU Wang, GS Barber, ME Chen, SL Wu, JQ AF Wang, Gangsheng Barber, Michael E. Chen, Shulin Wu, Joan Q. TI SWAT modeling with uncertainty and cluster analyses of tillage impacts on hydrological processes SO STOCHASTIC ENVIRONMENTAL RESEARCH AND RISK ASSESSMENT LA English DT Article DE Cluster analysis; Scenario analysis; SWAT; Tillage; Uncertainty ID SOIL HYDRAULIC-PROPERTIES; GREENHOUSE-GAS EMISSIONS; WATER ASSESSMENT-TOOL; CLAY LOAM SOIL; NO-TILLAGE; CONSERVATION TILLAGE; PHYSICAL-PROPERTIES; CONVENTIONAL TILLAGE; MANAGEMENT-PRACTICES; RESIDUE MANAGEMENT AB The impacts of tillage practices, majorly conventional tillage (CT) and no-till (NT), on soil hydraulic properties have been studied in recent decades. In this paper, we incorporated an auto-calibration algorithm into the Soil and Water Assessment Tool (SWAT) model and calibrated the model at eight field sites with soil water content (SWC) observations in the Pataha Creek Watershed, WA, USA. The Green-Ampt method in SWAT was chosen to determine infiltration and surface runoff. Parameter uncertainty was quantified by "relatively optimal" parameter sets filtered by a critical objective function value. Cluster analysis was adopted to obtain equal-sized parameter sets for each site and to compare parameter sets between tillage practices. The centers of these clusters were employed as a sample of parameter values. The clustered parameter sets were then used in scenario analysis to examine the impacts of cropland tillage practices on lateral flow, runoff and evapotranspiration (ET). The model parameters (e.g., soil hydraulic properties) were significantly different between CT and NT. In particular, higher bulk density, larger available water capacity, and higher effective hydraulic conductivity were found for NT than for CT. SWCs at three depths of the NT sites were significantly higher than those of CT sites, which could be attributed to tillage practices. However, higher available water capacity at NT sites indicated that the NT soil had a higher capacity to hold water. Thus the mean net changes in SWC during a year were not significantly different between CT and NT. The statistically different model parameters neither resulted in statistical differences in annual outputs (e.g., runoff and ET) nor substantial differences in monthly outputs. Our study indicates that the tillage impacts on hydrological processes are site-specific and scale-dependent. C1 [Wang, Gangsheng; Chen, Shulin] Washington State Univ, Dept Biol Syst Engn, Pullman, WA 99164 USA. [Wang, Gangsheng] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Wang, Gangsheng] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Barber, Michael E.] Washington State Univ, Dept Civil & Environm Engn, State Washington Water Res Ctr, Pullman, WA 99164 USA. [Wu, Joan Q.] Washington State Univ, Puyallup Res & Extens Ctr, Dept Biol Syst Engn, Puyallup, WA 98371 USA. RP Wang, GS (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Bldg 2040,Room E272,MS 6301, Oak Ridge, TN 37831 USA. EM wangg@ornl.gov FU Bonneville Power Administration (BPA) FX We gratefully thank the Bonneville Power Administration (BPA) for providing funding for this research. We would like to thank our project manager, John Piccininni, from BPA for his concerns on this research project. We greatly appreciate Bill Bowe's intellectual and technical support for the field experiments. Appreciation is also extended to Duane Bartels at the Pomeroy Conservation District for his unselfish help on field selection. Great thanks also go to Mr. Dian Wen and Dr. Anping Jiang for their helps on the field work. We acknowledge all the landowners who kindly allowed us to conduct field experiments on their croplands. Thanks also go to the two anonymous reviewers for their constructive comments. NR 78 TC 5 Z9 5 U1 3 U2 41 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1436-3240 EI 1436-3259 J9 STOCH ENV RES RISK A JI Stoch. Environ. Res. Risk Assess. PD FEB PY 2014 VL 28 IS 2 BP 225 EP 238 DI 10.1007/s00477-013-0743-9 PG 14 WC Engineering, Environmental; Engineering, Civil; Environmental Sciences; Statistics & Probability; Water Resources SC Engineering; Environmental Sciences & Ecology; Mathematics; Water Resources GA 278RU UT WOS:000328908200006 ER PT J AU Friess, MB Breil, J Maire, PH Shashkov, M AF Friess, Marie Billaud Breil, Jerome Maire, Pierre-Henri Shashkov, Mikhail TI A Multi-Material CCALE-MOF Approach in Cylindrical Geometry SO COMMUNICATIONS IN COMPUTATIONAL PHYSICS LA English DT Article DE Cell-centered scheme; Lagrangian hydrodynamics; ALE; MOF interface reconstruction; Rezoning algorithm; polar meshes; hybrid remapping; axisymmetric geometries ID INTERFACE RECONSTRUCTION; EULERIAN HYDROCODES; ALE; SCHEME; HYDRODYNAMICS; MESHES AB In this paper we present recent developments concerning a Cell-Centered Arbitrary Lagrangian Eulerian (CCALE) strategy using the Moment Of Fluid (MOF) interface reconstruction for the numerical simulation of multi-material compressible fluid flows on unstructured grids in cylindrical geometries. Especially, our attention is focused here on the following points. First, we propose a new formulation of the scheme used during the Lagrangian phase in the particular case of axisymmetric geometries. Then, the MOF method is considered for multi-interface reconstruction in cylindrical geometry. Subsequently, a method devoted to the rezoning of polar meshes is detailed. Finally, a generalization of the hybrid remapping to cylindrical geometries is presented. These explorations are validated by mean of several test cases using unstructured grid that clearly illustrate the robustness and accuracy of the new method. C1 [Friess, Marie Billaud] Univ Nantes, Ecole Cent Nantes, LUNAM Univ, GeM,UMR CNRS 6183, F-44321 Nantes 3, France. [Breil, Jerome] Univ Bordeaux, CEA, CNRS, CELIA,UMR5107, F-33400 Talence, France. [Maire, Pierre-Henri] CEA CESTA, F-33116 Le Barp, France. [Shashkov, Mikhail] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Breil, J (reprint author), Univ Bordeaux, CEA, CNRS, CELIA,UMR5107, F-33400 Talence, France. EM breil@celia.u-bordeaux1.fr RI Maire, Pierre-Henri/H-6219-2013 OI Maire, Pierre-Henri/0000-0002-4180-8220 NR 37 TC 1 Z9 1 U1 1 U2 10 PU GLOBAL SCIENCE PRESS PI WANCHAI PA ROOM 3208, CENTRAL PLAZA, 18 HARBOUR RD, WANCHAI, HONG KONG 00000, PEOPLES R CHINA SN 1815-2406 EI 1991-7120 J9 COMMUN COMPUT PHYS JI Commun. Comput. Phys. PD FEB PY 2014 VL 15 IS 2 BP 330 EP 364 DI 10.4208/cicp.190912.080513a PG 35 WC Physics, Mathematical SC Physics GA 269ZA UT WOS:000328282600002 ER PT J AU Mackay, DT Janish, MT Sahaym, U Kotula, PG Jungjohann, KL Carter, CB Norton, MG AF Mackay, David T. Janish, Matthew T. Sahaym, Uttara Kotula, Paul G. Jungjohann, Katherine L. Carter, C. Barry Norton, M. Grant TI Template-free electrochemical synthesis of tin nanostructures SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID LITHIUM-ION BATTERIES; CARBON NANOTUBES; ELECTRON-MICROSCOPY; SILICON NANOWIRES; GROWTH-MECHANISM; ANODES; SN; TEMPERATURE; FABRICATION; VAPOR AB One-dimensional (1D) nanostructures, often referred to as nanowires, have attracted considerable attention due to their unique mechanical, chemical, and electrical properties. Although numerous novel technological applications are being proposed for these structures, many of the processes used to synthesize these materials involve a vapor phase and require high temperatures and long growth times. Potentially faster methods requiring templates, such as anodized aluminum oxide, involve multiple fabrication steps, which would add significantly to the cost of the final material and may preclude their widespread use. In the present study, it is shown that template-free electrodeposition from an alkaline solution can produce arrays of Sn nanoneedles directly onto Cu foil substrates. This electrodeposition process occurs at 55 degrees C; it is proposed that the nanoneedles grow via a catalyst-mediated mechanism. In such a process, the growth is controlled at the substrate/nanostructure interface rather than resulting from random plating-induced defects such as dendrites or aging defects such as tin whiskers. There are multiple potential applications for 1D Sn nanostructures-these include anodes in lithium-ion and magnesium-ion batteries and as thermal interface materials. To test this potential, type 2032 lithium-ion battery button cells were fabricated using the electrodeposited Sn. These cells showed initial capacities as high as 850 mAh/g and cycling stability for over 200 cycles. C1 [Mackay, David T.; Sahaym, Uttara; Norton, M. Grant] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. [Janish, Matthew T.; Carter, C. Barry] Univ Connecticut, Dept Mat Sci & Engn, Storrs, CT 06269 USA. [Janish, Matthew T.; Carter, C. Barry] Univ Connecticut, Inst Mat Sci, Storrs, CT 06269 USA. [Kotula, Paul G.; Jungjohann, Katherine L.; Carter, C. Barry] Sandia Natl Labs, CINT, Albuquerque, NM 87185 USA. [Carter, C. Barry] Univ Connecticut, Dept Chem & Biomol Engn, Storrs, CT 06269 USA. RP Mackay, DT (reprint author), Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. EM dmackay@wsu.edu; matthew.janish@uconn.edu; usahaym@wsu.edu; paul.kotula@sandia.gov; kljungj@sandia.gov; cbcarter@engr.uconn.edu; mg_norton@wsu.edu RI Kotula, Paul/A-7657-2011; Janish, Matthew/M-8625-2016; OI Kotula, Paul/0000-0002-7521-2759; Carter, C Barry/0000-0003-4251-9102 FU Washington Research Foundation; Office of Research at Washington State University; United States Department of Energy's (DOE) National Nuclear Security Administration (NNSA) [DE-AC0494AL85000]; GAANN Fellowship from the US Department of Education; Center for Integrated Nanotechnologies, a DOE-BES FX This work was supported, in part, by the Washington Research Foundation and the Office of Research at Washington State University. A part of this work was performed at the Center for Integrated Nanotechnologies, a DOE-BES supported national user facility. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's (DOE) National Nuclear Security Administration (NNSA) under contract DE-AC0494AL85000. Matthew Janish is partly supported by a GAANN Fellowship from the US Department of Education. Discussions with Joseph R. Michael, Bonnie McKenzie, and Summer R. Ferreira are gratefully acknowledged. NR 51 TC 12 Z9 12 U1 5 U2 113 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 FEB PY 2014 VL 49 IS 4 BP 1476 EP 1483 DI 10.1007/s10853-013-7917-1 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA 270OI UT WOS:000328327600003 ER PT J AU Lamb, J Orendorff, CJ AF Lamb, Joshua Orendorff, Christopher J. TI Evaluation of mechanical abuse techniques in lithium ion batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE Li-Ion; Lithium ion; Battery; Safety; Internal short circuit; Mechanical abuse ID SHORT-CIRCUIT; CELLS; SEPARATOR AB Mechanical tests are a commonly used method for evaluating the safety performance of batteries. The mechanical blunt rod testing method, as well as sharp nail penetration, was performed on commercially available cells. Evaluation was carried out on different cell constructions as well as varying test conditions. Results obtained at ambient conditions were found to differ little from traditional sharp nail penetration testing. When tested at elevated temperatures it was observed that the results became heavily dependent upon the internal construction of the cell. Computed Tomography (CT) imaging confirmed this, showing differences in behavior depending on whether or not a solid core was used in the cylindrical cell construction. Pouch cells were tested as well, showing that a full penetration of the cell was necessary to initiate a failure event within the cell. (C) 2013 Elsevier B.V. All rights reserved. C1 [Lamb, Joshua; Orendorff, Christopher J.] Sandia Natl Labs, Power Sources Technol Grp, Livermore, CA 94550 USA. RP Lamb, J (reprint author), Sandia Natl Labs, Power Sources Technol Grp, Livermore, CA 94550 USA. EM jlamb@sandia.gov FU United States Department of Energy, Office of Vehicle Technologies; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was performed under funding from the United States Department of Energy, Office of Vehicle Technologies.; 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 22 TC 22 Z9 22 U1 8 U2 96 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD FEB 1 PY 2014 VL 247 BP 189 EP 196 DI 10.1016/j.jpowsour.2013.08.066 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 268NG UT WOS:000328177000026 ER PT J AU Bowden, ME Alvine, KJ Fulton, JL Lemmon, JR Lu, X Webb-Robertson, BJ Heald, SM Balasubramanian, M Mortensen, DR Seidler, GT Hess, NJ AF Bowden, Mark E. Alvine, Kyle J. Fulton, John L. Lemmon, John R. Lu, Xiaochuan Webb-Robertson, Bobbie-Jo Heald, Steve M. Balasubramanian, Mahalingam Mortensen, Devon R. Seidler, Gerald T. Hess, Nancy J. TI X-ray absorption measurements on nickel cathode of sodium-beta alumina batteries: Fe-Ni-Cl chemical associations SO JOURNAL OF POWER SOURCES LA English DT Article DE Sodium-nickel chloride battery; X-ray absorption spectroscopy; Fe additives; Chemical mapping ID CHLORIDE BATTERY; ENERGY; CELL; TEMPERATURE; ELECTROLYTE; PERFORMANCE; CHALLENGES; POWER AB Sections of Na-Al-NiCl2 cathodes from sodium-beta alumina ZEBRA batteries have been characterized with X-ray fluorescence mapping, and XANES measurements to probe the microstructure, elemental correlation, and chemical speciation after voltage cycling. Cycling was performed under identical load conditions at either 240 or 280 degrees C operating temperature and subsequently quenched in either the charged or discharged state. X-ray fluorescence mapping and XANES measurements were made adjacent to the current collector and beta ''-Al2O3 solid electrolyte interfaces to detect possible gradients in chemical properties across the cathode. An FeS additive, introduced during battery synthesis, was found to be present as either Fe metal or an Fe(11) chloride in all cathode samples. X-ray fluorescence mapping reveals an operating temperature and charge-state dependent spatial correlation between Fe, Ni, and Cl concentration. XANES measurements indicate that both Ni and Fe are chemically reactive and shift between metallic and chloride phases in the charged and discharged states, respectively. However the percentage of chemically active Ni and Fe is significantly less in the cell operated at lower temperature. Additionally, the cathode appeared chemically homogeneous at the scale of our X-ray measurements. (C) 2013 Elsevier B.V. All rights reserved. C1 [Bowden, Mark E.; Alvine, Kyle J.; Fulton, John L.; Lemmon, John R.; Lu, Xiaochuan; Webb-Robertson, Bobbie-Jo; Hess, Nancy J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Heald, Steve M.; Balasubramanian, Mahalingam] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Mortensen, Devon R.; Seidler, Gerald T.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. RP Hess, NJ (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM nancy.hess@pnnl.gov OI Hess, Nancy/0000-0002-8930-9500 FU Pacific Northwest National Laboratory (PNNL) under DOE [DE-AC05-76RL01830]; Argonne National Laboratory; U.S. DOE [DE-AC02-06CH11357]; PNNL Chemical Imaging Initiative FX The authors thank Drs. G. Coffey and A.L. Schemer-Kohrn for synthesis of the cathode samples and SEM/EDS analysis. Research was performed at the Pacific Northwest National Laboratory (PNNL) managed under DOE contract No. DE-AC05-76RL01830. 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. The authors gratefully acknowledge Laboratory Directed Research and Development (LDRD) project funding from the PNNL Chemical Imaging Initiative. NR 26 TC 5 Z9 5 U1 0 U2 39 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD FEB 1 PY 2014 VL 247 BP 517 EP 526 DI 10.1016/j.jpowsour.2013.08.046 PG 10 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 268NG UT WOS:000328177000070 ER PT J AU Zhang, L Liu, F Brinkman, K Reifsnider, KL Virkar, AV AF Zhang, Lei Liu, Feng Brinkman, Kyle Reifsnider, Kenneth L. Virkar, Anil V. TI A study of gadolinia-doped ceria electrolyte by electrochemical impedance spectroscopy SO JOURNAL OF POWER SOURCES LA English DT Article DE Solid oxide fuel cells; Gadolinia-doped ceria; Grain boundary; Impedance spectroscopy; Lead wire impedance ID OXIDE FUEL-CELLS; CATHODES; ZIRCONIA AB Samples of Gd2O3-doped CeO2 (GDC) were fabricated by sintering of powder compacts. Impedance spectra were measured from 400 degrees C to 675 degrees C in air by electrochemical impedance spectroscopy (EIS). Above similar to 500 degrees C, high frequency arc was not semicircular but could be fitted with a constant phase element (CPE). Above similar to 625 degrees C, high frequency arc could not be resolved due to a significant contribution from the inductive load. The impedance spectra were described using a simple equivalent circuit which included the leads/instrument impedance. The leads/instrument impedance was measured over a range of frequencies and temperatures. The high frequency part of the impedance after subtracting leads/instrument impedance could be resolved even at the highest measurement temperature and was described by a semicircle representative of transport across grain boundaries. From these measurements, grain and grain boundary resistivities were determined. The corresponding activation energies were 0.69 eV and 1.11 eV, respectively. The grain boundary capacitance was nearly independent of temperature. The present results show that grain boundary effects can be described by a resistor and a capacitor. Relevant equivalent circuit parameters were obtained from intercepts, maxima and minima in impedance diagrams. 2013 Elsevier B.V. All rights reserved. C1 [Zhang, Lei; Liu, Feng; Virkar, Anil V.] Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA. [Brinkman, Kyle] Savannah River Natl Lab, Aiken, SC 29808 USA. [Reifsnider, Kenneth L.] Univ S Carolina, Columbia, SC 29208 USA. RP Virkar, AV (reprint author), Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA. EM anil.virkar@utah.edu OI Brinkman, Kyle/0000-0002-2219-1253 FU University of Utah; University of South Carolina; US Department of Energy under its Energy Frontier Research Centers (EFRC) program [DE-SC0001061]; University of Utah by Savannah River National Lab [AC72315-O] FX This work was supported at the University of Utah and the University of South Carolina in part by the US Department of Energy under its Energy Frontier Research Centers (EFRC) program under Grant Number DE-SC0001061, to the University of South Carolina, HeteroFoam Center (Modeling). Part of this work was also supported at the University of Utah by Savannah River National Lab under subcontract number AC72315-O (Sample Fabrication and Electrochemical Impedance Spectroscopy). NR 13 TC 12 Z9 12 U1 4 U2 58 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD FEB 1 PY 2014 VL 247 BP 947 EP 960 DI 10.1016/j.jpowsour.2013.09.036 PG 14 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 268NG UT WOS:000328177000125 ER PT J AU Lamb, J Orendorff, CJ Amine, K Krumdick, G Zhang, ZC Zhang, L Gozdz, AS AF Lamb, Joshua Orendorff, Christopher J. Amine, Khalil Krumdick, Gregory Zhang, Zhengcheng Zhang, Lu Gozdz, Antoni S. TI Thermal and overcharge abuse analysis of a redox shuttle for overcharge protection of LiFePO4 SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium-ion battery; Overcharge; Redox shuttle; Calorimetry ID LITHIUM-ION BATTERIES; CHEMICAL OVERCHARGE; OVERDISCHARGE PROTECTION; CYCLOHEXYL BENZENE; AROMATIC-COMPOUNDS; CELLS; ADDITIVES; DERIVATIVES; MECHANISMS; STABILITY AB This work investigated the performance and abuse tolerance of cells protected using the redox shuttle 1,4-bis(2-methoxyethoxy)-2,5-di-tert-butylbenzene. The thermal efficiencies were evaluated using isothermal battery calorimetry. Cells containing the overcharge shuttle were observed to reach a steady state value of approximately 3.8 V. with a small variance in direct proportion to the applied current. In all cases the heat output from the cells was measured to reach similar to 90% of the total input power. The heat output was also measured using isothermal calorimetry. At higher rates of overcharge, the data shows that the cell containing the shuttle rapidly reaches a steady state voltage, while the temperature increases until a moderately high steady state temperature is reached. The control cell meanwhile rapidly increases in both applied voltage and cell temperature until cell failure. Two cells in series were taken deliberately out of balance individually, then charged as a single pack to observe the time needed to bring the cells into balance with one another. (C) 2013 Elsevier B.V. All rights reserved. C1 [Lamb, Joshua; Orendorff, Christopher J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Amine, Khalil; Krumdick, Gregory; Zhang, Zhengcheng; Zhang, Lu] Argonne Natl Lab, Argonne, IL 60439 USA. [Gozdz, Antoni S.] A123 Syst LLC, Waltham, MA USA. RP Lamb, J (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jlamb@sandia.gov FU United States Department of Energy's Advanced Battery Research program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was performed under funding from the United States Department of Energy's Advanced Battery Research program, administered by the Office of Vehicle Technologies.; 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 38 TC 9 Z9 9 U1 2 U2 89 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD FEB 1 PY 2014 VL 247 BP 1011 EP 1017 DI 10.1016/j.jpowsour.2013.08.044 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 268NG UT WOS:000328177000133 ER PT J AU Viswanathan, V Crawford, A Stephenson, D Kim, S Wang, W Li, B Coffey, G Thomsen, E Graff, G Balducci, P Kintner-Meyer, M Sprenkle, V AF Viswanathan, Vilayanur Crawford, Alasdair Stephenson, David Kim, Soowhan Wang, Wei Li, Bin Coffey, Greg Thomsen, Ed Graff, Gordon Balducci, Patrick Kintner-Meyer, Michael Sprenkle, Vincent TI Cost and performance model for redox flow batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE Redox flow; Efficiency; Felt electrode; Bipolar plate; Separator; Flow frame ID CELL ELECTROLYTE AB A cost model is developed for all vanadium and iron-vanadium redox flow batteries. Electrochemical performance modeling is done to estimate stack performance at various power densities as a function of state of charge and operating conditions. This is supplemented with a shunt current model and a pumping loss model to estimate actual system efficiency. The operating parameters such as power density, flow rates and design parameters such as electrode aspect ratio and flow frame channel dimensions are adjusted to maximize efficiency and minimize capital costs. Detailed cost estimates are obtained from various vendors to calculate cost estimates for present, near-term and optimistic scenarios. The most cost-effective chemistries with optimum operating conditions for power or energy intensive applications are determined, providing a roadmap for battery management systems development for redox flow batteries. The main drivers for cost reduction for various chemistries are identified as a function of the energy to power ratio of the storage system. Levelized cost analysis further guide suitability of various chemistries for different applications. (C) 2012 Elsevier B.V. All rights reserved. C1 [Viswanathan, Vilayanur; Crawford, Alasdair; Stephenson, David; Kim, Soowhan; Wang, Wei; Li, Bin; Coffey, Greg; Thomsen, Ed; Graff, Gordon; Balducci, Patrick; Kintner-Meyer, Michael; Sprenkle, Vincent] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Viswanathan, V (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM vilayanur.viswanathan@pnl.gov RI Wang, Wei/F-4196-2010 OI Wang, Wei/0000-0002-5453-4695 FU U.S. Department of Energy (DOE) Office of Electricity Delivery and Energy Reliability (OE); DOE [DE-AC05-76RL01830] FX The authors acknowledge the financial support from the U.S. Department of Energy (DOE) Office of Electricity Delivery and Energy Reliability (OE). We are grateful for useful discussions with Dr. Liyu Li and Dr. ZhenguoYang, former program managers at the Pacific Northwest National Laboratory, who are now at UniEnergy Technologies, and with Dr. Lawrence Thaller, a private consultant. We are also grateful for guidance provided by Dr. Imre Gyuk, the program manager of the Energy Storage and Power Electronics Program at DOE-OE. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for the DOE by Battelle under Contract DE-AC05-76RL01830. NR 33 TC 66 Z9 68 U1 6 U2 124 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD FEB 1 PY 2014 VL 247 BP 1040 EP 1051 DI 10.1016/j.jpowsour.2012.12.023 PG 12 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 268NG UT WOS:000328177000137 ER PT J AU Soni, SK Sheldon, BW Hearne, SJ AF Soni, Sumit K. Sheldon, Brian W. Hearne, Sean J. TI Origins of saccharin-induced stress reduction based on observed fracture behavior of electrodeposited Ni films SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID THIN-FILMS; NANOCRYSTALLINE NICKEL; COMPRESSIVE STRESS; TENSILE-STRESS; GRAIN; MODEL; SEGREGATION; DEPOSITION; GROWTH; SULFUR AB This research presents experimental results of an investigation aimed at understanding grain size driven mechanical processes in electrodeposited Ni thin films where saccharine additions are commonly used to improve mechanical properties. Ni films were fabricated using salfamate-based electro chemical baths, where it is empirically known that mmol/l concentrations of saccharine will reduce the observed tensile stress in addition to lowering the grain size up to a few nanometer scales. Some previous observations and several theoretical models suggest that saccharine incorporation results in sulfur segregation at grain boundaries. Since grain boundary formation is also associated with tensile stress evolution, a plausible hypothesis is that saccharine additions are directly altering grain boundary energetics. This suggests that saccharine additions should also have an observable effect on intergranular fracture in these films. To test this prediction, in situ stress measurements during film growth and fracture testing of these same films were compared. Lithographically patterned substrates were used to produce films with ordered arrays of uniform islands, which demonstrated island size effects on stress evolution, and enabled a well-defined notch geometry along one of the island boundaries to facilitate fracture experiments. In situ uniaxial tensile testing under in a scanning electron microscope was then used to obtain the fracture strength of such specimens. This technique provided real time recording of microscopic deformation during uniaxial tensile loading. The observed relationships among residual stress, grain size, and fracture strength were then analyzed with detailed models of both film growth and fracture. C1 [Soni, Sumit K.; Sheldon, Brian W.] Brown Univ, Sch Engn, Providence, RI 02912 USA. [Soni, Sumit K.; Hearne, Sean J.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Soni, SK (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. EM sumit_kumar_soni@alumni.brown.edu FU DOE Office of Science Center for Integrated Nano-Technology; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; National Science Foundation [DMR-0520651-IRG1] FX The authors thank Allan Bower, Eric Chason, Bob Ellis, John Nogan, and David Pietrzak. The authors would also like to thank Evans Analytical Group for performing SIMS measurements. This work was partly funded through the DOE Office of Science Center for Integrated Nano-Technology. 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 DE-AC04-94AL85000. This research also made use of the MRSEC shared Experimental Facilities at Brown University, supported by the National Science Foundation No. DMR-0520651-IRG1. NR 29 TC 0 Z9 0 U1 2 U2 21 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 FEB PY 2014 VL 49 IS 3 BP 1399 EP 1407 DI 10.1007/s10853-013-7824-5 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA 269SC UT WOS:000328261200047 ER PT J AU Kandemir, EB Gonul, B Barkema, GT Yu, KM Walukiewicz, W Wang, LW AF Kandemir, E. Bakir Gonul, B. Barkema, G. T. Yu, K. M. Walukiewicz, W. Wang, L. W. TI Modeling of the atomic structure and electronic properties of amorphous GaN1-xAsx SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE GaNAs; Continuous Random Network (CRN); Highly Mismatched Alloys (HMAs); Band Anticrossing (BAC) ID CONTINUOUS RANDOM NETWORKS; BAND; GAP; ALLOYS; ENERGY; GAAS AB Chemically ordered 250-atom models for amorphous GaN1 xAsx alloys in the concentration range of 0.17 < x < 0.75 have been studied with density functional theory simulations, starting with initial continuous random network structures. The analysis of network topology has been achieved by examining partial-pair correlation functions, bond angle distributions, ring statistics and average coordination numbers. The electronic properties of amorphous GaN1 xAsx alloys have been estimated by means of electronic density states (EDOS) and inverse participation ratios (IPR). Our calculations indicate that the introduction of As into GaN reduces the bond angle disorder. According to our ring analysis the 250 atom a-GaN1 xAsx model has a disordered tetrahedral characteristic confirming the fact that continuous random network (CRN) can provide an ideal initial structure. The study of EDOS and IPR proves that the bandgap of a-GaN1 xAsx gets narrower with increasing As concentration, which is in good agreement with the experimental results and the band anti-crossing model. (C) 2013 Elsevier B.V. All rights reserved. C1 [Kandemir, E. Bakir; Gonul, B.] Gaziantep Univ, Dept Engn Phys, TR-27310 Gaziantep, Turkey. [Barkema, G. T.] Univ Utrecht, NL-3584 CE Utrecht, Netherlands. [Barkema, G. T.] Leiden Univ, Inst Lorentz, NL-2300 RA Leiden, Netherlands. [Yu, K. M.; Walukiewicz, W.; Wang, L. W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Kandemir, EB (reprint author), Gaziantep Univ, Dept Engn Phys, TR-27310 Gaziantep, Turkey. EM ebru.bakir.kandemir@gmail.com RI Barkema, Gerard/E-7424-2010; OI Barkema, Gerard/0000-0001-5289-4147; Yu, Kin Man/0000-0003-1350-9642 FU Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE); Council of Higher Education of Turkey, (YOK) FX This work is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) and The Council of Higher Education of Turkey, (YOK). Calculations are performed at National Energy Research Scientific Computing Center (NERSC) on the Hopper server. NR 24 TC 8 Z9 8 U1 0 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD FEB PY 2014 VL 82 BP 100 EP 106 DI 10.1016/j.commatsci.2013.09.039 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 259NJ UT WOS:000327533300016 ER PT J AU Bjork, R Frandsen, HL Tikare, V Olevsky, E Pryds, N AF Bjork, R. Frandsen, H. L. Tikare, V. Olevsky, E. Pryds, N. TI Strain in the mesoscale kinetic Monte Carlo model for sintering SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Kinetic Monte Carlo; Sintering; Strain; Densification; Annihilation ID PARTICLE-SIZE DISTRIBUTIONS; NUMERICAL-SIMULATION; GRAIN-GROWTH; MICROSTRUCTURAL EVOLUTION; ANISOTROPIC SHRINKAGE; COMPUTER-SIMULATION; CERAMICS; FILMS AB Shrinkage strains measured from microstructural simulations using the mesoscale kinetic Monte Carlo (kMC) model for solid state sintering are discussed. This model represents the microstructure using digitized discrete sites that are either grain or pore sites. The algorithm used to simulate densification by vacancy annihilation removes an isolated pore site at a grain boundary and collapses a column of sites extending from the vacancy to the surface of sintering compact, through the center of mass of the nearest grain. Using this algorithm, the existing published kMC models are shown to produce anisotropic strains for homogeneous powder compacts with aspect ratios different from unity. It is shown that the line direction biases shrinkage strains in proportion the compact dimension aspect ratios. A new algorithm that corrects this bias in strains is proposed; the direction for collapsing the column is determined by choosing a random sample face and subsequently a random point on that face as the end point for an annihilation path with equal probabilities. This algorithm is mathematically and experimentally shown to result in isotropic strains for all samples regardless of their dimensions. Finally, the microstructural evolution is shown to be similar for the new and old annihilation algorithms. (C) 2013 Elsevier B.V. All rights reserved. C1 [Bjork, R.; Frandsen, H. L.; Pryds, N.] Tech Univ Denmark, Dept Energy Convers & Storage, DK-4000 Roskilde, Denmark. [Tikare, V.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Olevsky, E.] San Diego State Univ, Dept Mech Engn, San Diego, CA 92182 USA. RP Bjork, R (reprint author), Tech Univ Denmark, Dept Energy Convers & Storage, Frederiksborgvej 399, DK-4000 Roskilde, Denmark. EM rabj@dtu.dk OI Frandsen, Henrik Lund/0000-0001-8336-6363; Bjork, Rasmus/0000-0002-3728-2326; Pryds, Nini/0000-0002-5718-7924 FU Danish Council for Independent Research Technology and Production Sciences (FTP) which is part of The Danish Agency for Science, Technology and Innovation (FI) [09-072888]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; National Science Foundation Division of Civil and Mechanical Systems (NSF) [CMMI 1234114]; National Science Foundation Division of Manufacturing Innovations (NSF) [CMMI 1234114] FX The authors would like to thank the Danish Council for Independent Research Technology and Production Sciences (FTP) which is part of The Danish Agency for Science, Technology and Innovation (FI) (Project # 09-072888) for sponsoring the OPTIMAC research work. 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. The support by the National Science Foundation Division of Civil and Mechanical Systems and Manufacturing Innovations (NSF Grant CMMI 1234114) is also gratefully appreciated. NR 28 TC 1 Z9 1 U1 1 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD FEB PY 2014 VL 82 BP 293 EP 297 DI 10.1016/j.commatsci.2013.09.051 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 259NJ UT WOS:000327533300042 ER PT J AU Kooken, J Fox, K Fox, A Wunschel, D AF Kooken, Jennifer Fox, Karen Fox, Alvin Wunschel, David TI Assessment of marker proteins identified in whole cell extracts for bacterial speciation using liquid chromatography electrospray ionization tandem mass spectrometry SO MOLECULAR AND CELLULAR PROBES LA English DT Article DE Staphylococcus; tandem mass spectrometry; bacterial identification; protein markers ID ASSISTED-LASER-DESORPTION/IONIZATION; RAPID IDENTIFICATION; CLASSIFICATION; PROTEOMICS; SPECIMENS; SEQUENCE; PATTERNS; STRAINS AB Staphylococcal strains (CoNS) were speciated in this study. Digests of proteins released from whole cells were converted to tryptic peptides for analysis. Liquid chromatography electrospray ionization tandem mass spectrometry (LC-ESI MS/MS, Orbitrap) was employed for peptide analysis. Data analysis was performed employing the open-source software XiTandem which uses sequenced genomes to generate a virtual peptide database for comparison to experimental data. The search database was modified to include the genomes of the 11 Staphylococcus species most commonly isolated from man. The number of total peptides matching each protein along with the number of peptides specifically matching to the homologue (or homologues) for strains of the same species were assessed. Any peptides not matching to the species examined were considered conflict peptides. The proteins typically identified with the largest percentage of sequence coverage, number of matched peptides and number of peptides corresponding to only the correct species were elongation factor Tu (EF Tu) and enolase (Enol). Additional proteins with consistently observed peptides as well as peptides matching only homologues from the same species were citrate synthase (CS) and 1-pyrroline-5-carboxylate dehydrogenase (1P5CD). Protein markers, previously identified from gel slices, (aconitate hydratase and oxoglutarate dehydrogenase) were found to provide low confidence scores when employing whole cell digests. The methodological approach described here provides a simple yet elegant way of identification of staphylococci. However, perhaps more importantly the technology should be applicable universally for identification of any bacterial species. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Kooken, Jennifer; Fox, Karen; Fox, Alvin] Univ S Carolina, Sch Med, Dept Pathol Microbiol & Immunol, Columbia, SC 29208 USA. [Wunschel, David] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Wunschel, D (reprint author), Pacific NW Natl Lab, POB 999,MS P7-50, Richland, WA 99354 USA. EM DavidWunschel@Frontier.com OI Kooken, Jennifer/0000-0002-3547-8632 FU National Science Foundation [0959427]; Sloan Foundation; NIH [R25GM076277]; U.S. DOE [DE-AC06-76RLO] FX Support for this work was provided by the National Science Foundation (# 0959427, J. Rose, P.I, K. Fox Co-P.I). Jennifer Kooken received pre-doctoral support from the Sloan Foundation and NIH R25GM076277 (B. Ely, P.I. and R. Hunt, Co-P.I.). The clinical strains were kindly provided by Dr. Gustavo Medino obtained from two hospitals in Valdavia, Chile. The veterinary strains were obtained from Drs. George Stewart and John Middleton, College of Veterinary Medicine, University of Missouri, Columbia, MO 65211. Thanks to Aaron Robinson for assistance in data analysis. Battelle Memorial Institute operates Pacific Northwest National Laboratory for the U.S. DOE under contract DE-AC06-76RLO. NR 24 TC 5 Z9 5 U1 0 U2 15 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0890-8508 J9 MOL CELL PROBE JI Mol. Cell. Probes PD FEB PY 2014 VL 28 IS 1 BP 34 EP 40 DI 10.1016/j.mcp.2013.08.002 PG 7 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Cell Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Cell Biology GA 265BW UT WOS:000327925700008 PM 23994725 ER PT J AU Kooken, J Fox, K Fox, A Altomare, D Creek, K Wunschel, D Pajares-Merino, S Martinez-Ballesteros, I Garaizar, J Oyarzabal, O Samadpour, M AF Kooken, Jennifer Fox, Karen Fox, Alvin Altomare, Diego Creek, Kim Wunschel, David Pajares-Merino, Sara Martinez-Ballesteros, Ilargi Garaizar, Javier Oyarzabal, Omar Samadpour, Mansour TI Identification of staphylococcal species based on variations in protein sequences (mass spectrometry) and DNA sequence (sodA microarray) SO MOLECULAR AND CELLULAR PROBES LA English DT Article DE Mass spectrometry; Liquid chromatography-tandem mass; spectrometry; Peptide sequence; Soda microarray ID COAGULASE-NEGATIVE STAPHYLOCOCCI; FIELD GEL-ELECTROPHORESIS; REAL-TIME PCR; HUMAN CLINICAL SPECIMENS; HUMAN SKIN; RAPID IDENTIFICATION; LEVEL IDENTIFICATION; VITEK-2 SYSTEM; UNITED-STATES; SUBSP-NOV AB This report is among the first using sequence variation in newly discovered protein markers for staphylococcal (or indeed any other bacterial) speciation. Variation, at the DNA sequence level, in the sodA gene (commonly used for staphylococcal speciation) provided excellent correlation. Relatedness among strains was also assessed using protein profiling using microcapillary electrophoresis and pulsed field electrophoresis. A total of 64 strains were analyzed including reference strains representing the 11 staphylococcal species most commonly isolated from man (Staphylococcus aureus and 10 coagulase negative species [CONS]). Matrix assisted time of flight ionization/ionization mass spectrometry (MALDI TOF MS) and liquid chromatography-electrospray ionization tandem mass spectrometry (LC ESI MS/MS) were used for peptide analysis of proteins isolated from gel bands. Comparison of experimental spectra of unknowns versus spectra of peptides derived from reference strains allowed bacterial identification after MALDI TOF MS analysis. After LC-MS/MS analysis of gel bands bacterial speciation was performed by comparing experimental spectra versus virtual spectra using the software X !Tandem. Finally LC-MS/ MS was performed on whole proteomes and data analysis also employing XI tandem. Aconitate hydratase and oxoglutarate dehydrogenase served as marker proteins on focused analysis after gel separation. Alternatively on full proteomics analysis elongation factor Tu generally provided the highest confidence in staphylococcal speciation. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Kooken, Jennifer; Fox, Karen; Fox, Alvin] Univ S Carolina, Sch Med, Dept Pathol Microbiol & Immunol, Columbia, SC 29208 USA. [Altomare, Diego; Creek, Kim] Univ S Carolina, Sch Pharm, Dept Pharmaceut & Biomed Sci, Columbia, SC 29209 USA. [Wunschel, David] Pacific NW Natl Lab, Richland, WA 99354 USA. [Pajares-Merino, Sara; Martinez-Ballesteros, Ilargi; Garaizar, Javier] Univ Basque Country UPV EHU, Fac Pharm, Dept Immunol Microbiol & Parasitol, Vitoria 01006, Spain. [Oyarzabal, Omar; Samadpour, Mansour] Inst Environm Hlth Inc, Poultry Div, Lake Forest Pk, WA 98155 USA. RP Fox, A (reprint author), Univ S Carolina, Sch Med, Dept Pathol Microbiol & Immunol, Columbia, SC 29208 USA. EM alvin.fox@uscmed.sc.edu OI Oyarzabal, Omar/0000-0002-7863-2767; GARAIZAR CANDINA, JAVIER/0000-0002-3093-7078 FU National Science Foundation [0959427]; Basque Government [IT343-10]; University of the Basque Country, Spain [UFI11/25]; Sloan Foundation; NIH [R25GM076277] FX Support for this work was provided by the National Science Foundation (# 0959427, J. Rose, P.I, K. Fox Co-RI the USC INBRE Program (A. Fox, RI. and K. Creek, Co-.I.), Basque Government, (IT343-10), and University of the Basque Country (UFI11/25), Spain. Jennifer Kooken received pre-doctoral support from the Sloan Foundation and NIH R25GM076277 (B. Ely, RI. and R. Hunt, Co-RI.). The clinical strains were kindly provided by Dr. Gustavo Medino obtained from 2 hospitals in Valdavia, Chile. The authors would like to thank Kay Greeson for her technical help with PFGE analysis. The veterinary strains were obtained from Drs. George Stewart and John Middleton, College of Veterinary Medicine, University of Missouri, Columbia, MO 65211. NR 53 TC 4 Z9 5 U1 1 U2 34 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0890-8508 J9 MOL CELL PROBE JI Mol. Cell. Probes PD FEB PY 2014 VL 28 IS 1 BP 41 EP 50 DI 10.1016/j.mcp.2013.10.003 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Cell Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Cell Biology GA 265BW UT WOS:000327925700009 PM 24184563 ER PT J AU Helton, JC Hansen, CW Swift, PN AF Helton, J. C. Hansen, C. W. Swift, P. N. TI Performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Editorial Material ID ISOLATION PILOT-PLANT; PROBABILISTIC RISK ASSESSMENTS; EPISTEMIC UNCERTAINTY; SENSITIVITY-ANALYSIS; COMPLEX-SYSTEMS; QUANTIFICATION; DISPOSAL; MARGINS; SAFETY C1 [Helton, J. C.; Hansen, C. W.; Swift, P. N.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Helton, JC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jchelto@sandia.gov RI ming-jui, chang/F-9294-2015 NR 106 TC 4 Z9 4 U1 2 U2 18 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 1 EP 6 DI 10.1016/j.ress.2013.06.041 PG 6 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800001 ER PT J AU Rechard, RP Cotton, TA Voegele, MD AF Rechard, Rob P. Cotton, Thomas A. Voegele, Michael D. TI Site selection and regulatory basis for the Yucca Mountain disposal system for spent nuclear fuel and high-level radioactive waste SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Site selection; Radiation protection standards; High-level radioactive waste; Radioactive waste repository; Performance assessment; Yucca Mountain ID ISOLATION PILOT-PLANT; PERFORMANCE ASSESSMENT; NEVADA AB This paper summarizes the historical events from the identification of the Yucca Mountain site in southern Nevada in 1978 to its selection by the US Congress as the sole site to characterize for a repository for spent nuclear fuel and high-level radioactive waste in 1987. Coincident with this selection process and later site characterization, the US spent from 1977 to 2009 establishing long-term, radiation protection standards and a regulatory framework for demonstrating compliance. When first promulgated, the US Environmental Protection Agency's radiation protection standards limited cumulative release of radionuclides at a boundary <= 5 km from the edge of a generic repository over a 10(4)-year regulatory period. But in 2001, site-specific standards for a repository at Yucca Mountain were promulgated to limit the dose to an individual at a point <=similar to 18 km from the repository edge in the predominant direction of groundwater flow over a 10(6)-year period. Also during the 33-year effort, the regulatory framework of the US Nuclear Regulatory Commission, which implemented the radiation protection standards, changed from setting performance criteria on barrier subsystem components in 1983 to the identification and technical justification for barrier performance based on a performance assessment. Also, reasonable expectation as the standard of proof for evaluating compliance was clarified. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Rechard, Rob P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Cotton, Thomas A.] Complex Syst Grp, Washington, DC 20016 USA. RP Rechard, RP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rprecha@sandia.gov FU DOE National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories (SNL) is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors wish to thank L.A. Connolly, SNL, for help with references, and S.K. Best, Raytheon, for illustration support. The historical perspective and opinions presented are those of the authors and are not necessarily those held by reviewers, SNL, or DOE. As a historical perspective, the authors are reporting on the work of others; however, any interpretative errors of documentation are those of the authors alone. Each performance assessment discussed in this paper required numerous participants with expertise in many areas of science and technology. The most complete listing of these participants is made by examining the extensive reference list; however, many of references are corporate documents without authors. Therefore, some of the persons, who made an important contribution to the topic of this paper, are acknowledged here. Specifically, several geologists at USGS were prominent in background work and eventual siting of a geologic repository at NTS, including W.W. Dudley Jr. and W.E. Wilson [78]. Other USGS scientists cited herein include: I.J. Winograd (suggested disposal in the UZ [53] and volunteered for peer reviews but never part of the formal evaluation of YM [152]); F.E. Rush [58]; R.K. Waddell [59]; E.H. Roseboom (summary of siting in arid regions [75]); R.W. Spengler (analysis of first drill hole at Yucca Mountain [64]). In addition, geologists and other scientists at SNL, LLNL, and LANL become involved in the selection of a site and repository horizon: J.K. Johnstone, SNL (tuff unit evaluation for site selection [67,76]); R.R. Peters, SNL (tuff unit evaluation [76]); F. Bingham, SNL; J. Fernandez, SNL site selection [73]; S. Sinnock, SNL (site selection [72]); K Wolfsberg, LANL (sorption studies of tuff [66]); B. Crowe, LANL (siting in tuff [69]); D. Bish, LANL; and DB Wilder, LLNL Others who contributed include T. Cotton, JKA; M.D. Voegele, SAIC/TRW/BSC; J. Younker, SAIC (early site suitability evaluations [153]); P. Gnirk, RE/SPEC (support to DOE for development of site guidelines in 10 CFR 960); and L Merkhoffer, ADA (decision analysis). Because so many were involved in site selection at YMP, the authors recognize that this list is unavoidably incomplete, and we apologize for omissions and oversights. Furthermore, geoscientists from USGS and elsewhere were also extensively involved in site characterization as mentioned in a companion paper [25]. NR 186 TC 4 Z9 4 U1 2 U2 28 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 7 EP 31 DI 10.1016/j.ress.2013.06.021 PG 25 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800002 ER PT J AU Rechard, RP Liu, HH Tsang, YW Finsterle, S AF Rechard, Rob P. Liu, Hui-Hai Tsang, Yvonne W. Finsterle, Stefan TI Site characterization of the Yucca Mountain disposal system for spent nuclear fuel and high-level radioactive waste SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Site characterization; High-level radioactive waste; Spent nuclear fuel; Radioactive waste repository; Performance assessment; Yucca Mountain ID SATURATED FRACTURED TUFF; THERMAL-HYDROLOGICAL CONDITIONS; ISOLATION PILOT-PLANT; UNSATURATED-ZONE; PERFORMANCE ASSESSMENT; HEATER TEST; NEVADA; MODEL; FLOW; TRANSPORT AB This paper summarizes the investigations conducted to characterize the geologic barrier of the Yucca Mountain disposal system. Site characterization progressed through (1) non-intrusive evaluation and borehole completions to determine stratigraphy for site identification; (2) exploration from the surface through well testing to evaluate the repository feasibility; (3) underground exploration to study coupled processes to evaluate repository suitability; and (4) reporting of experimental conclusions to support the repository compliance phase. Some of the scientific and technical challenges encountered included the evolution from a small preconstruction characterization program with much knowledge to be acquired during construction of the repository to a large characterization program with knowledge acquired prior to submission of the license application for construction authorization in June 2008 (i.e., the evolution from a preconstruction characterization program costing <$0.04 x 10(9) as estimated by the Nuclear Regulatory Commission in 1982 to a thorough characterization, design, and analysis program costing $11 x 10(9)-latter in 2010 constant dollars). Scientific understanding of unsaturated flow in fractures and seepage into an open drift in a thermally perturbed environment was initially lacking, so much site characterization expense was required to develop this knowledge. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Rechard, Rob P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Liu, Hui-Hai; Tsang, Yvonne W.; Finsterle, Stefan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Rechard, RP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rprecha@sandia.gov RI Finsterle, Stefan/A-8360-2009 OI Finsterle, Stefan/0000-0002-4446-9906 FU DOE National Nuclear Security Administratio [DE-AC04-94AL85000] FX Sandia National Laboratories (SNL) is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE National Nuclear Security Administration under Contract DE-AC04-94AL85000. The authors wish to thank L.A. Connolly, SNL, for help with references, and S.K. Best, Raytheon, for illustration support. The historical perspective and opinions presented are those of the authors and are not necessarily those held by reviewers, SNL, or DOE. As a historical perspective, the authors are reporting on the work of others; however, any interpretative errors of documentation are those of the authors alone. Each performance assessment discussed in this paper required numerous participants with expertise in many areas of science and technology. The most complete listing of these participants is made by examining the extensive reference list; however, many of references are corporate documents without authors. Therefore, some of the persons, who made an important contribution to characterization of the YM disposal system, are acknowledged here. Specifically, geologists at the USGS were involved extensively in characterizing the geology, hydrology, climatology such as W.W. Dudley, Jr.; W.E. Wilson (conceptualization of major tuff aquifer units 1261); R.B. Scott (original USGS conceptual model of flow through YM [45] and geologic map of Yucca Mountain for PA-EA [40]); P. Montazer (groundwater modeling [26]); J.B. Czarnecki (groundwater modeling [73]); R.K. Waddell (groundwater modeling [52]); J. Witney; D. Hoxie [80]; D. Bish; R. Herbst. Some of the individuals cited several times include those analyzing the stratigraphy and hydrology of early hydrologic drill holes R.W. Craig [39], R.W. Spengler [28]; W. Thordarson [33]; F.E. Rush [31]; C.B. Bentley [34,38]; E.P. Weeks [30]; D.A. Sawyer geologic map for PA-95 and later [94]; G.D. Le Cain (air-injection testing [111]); A. Flint and L. Flint (infiltration measurements in PA-VA [99,100] and PA-SR [43]); A.L. Geldon (analysis of C-well complex [53,144]; and J.B. Paces (attempt to validate presence of bomb-pulse 36Cl in ESF [151]). Also, scientists at LBNL were involved in characterizing the UZ including G.S. Bodvarsson (development of UZ flow experimental team); H-H. Liu (calibrated UZ flow properties [150]); Y.W. Tsang (testing and analysis of UZ flow [163] and drift seepage [123]); C-F. Tsang (testing and analysis of drift seepage UZ flow [123]; J.S.Y. Wang (testing and analysis of UZ flow [119,163] and drift seepage [141]); C.F. Ahlers (analysis of pneumatic data [112] and calibration of flow properties [134]); S. Mudhopadhyay (testing and analysis of UZ flow [120]; S. Finsterle (characterization of pneumatic response [112] and geostatistical inverse modeling [142])). Early in-situ thermal experiments were conducted in G-tunnel at NTS for PA-EA: R.M. Zimmerman, SNL [49], B.S. Langkopf, SNL [48]; J.K. Johnstone, SNL; L.D. Tyler, SNL [48]; B. Stanley, SAIC; and M.D. Voegele, SAIC). Later, scientists at LLNL were involved in near field characterization through (a) analysis of thermal experiments, such as the large block test (LBT): E.L. Hardin now at SNL [121]; W. Lin, S.C. Blair, J.A. Blink, T.A. Buscheck [118,121]; and D. G. Wilder [118]); and (b) development of thermal-chemical coupled models: T.J. Wolery, W. Glassley, and J. Johnson. Also, LBNL scientists developed a coupled thermal hydrologic-chemistry (THC) model which was used in analysis of drift-scale heater test (DST) [139]: E.L. Sonnenthal, LBNL; N. Spycher, LBNL; and M.; Peters, TRW now at ANL was involved as the DST lead. Later, R.L. Jones led thermal testing. Some SNL scientists also involved with characterization include C.A. Rautman (geostatistical analysis of the tuff layers [22]); A Stevens; and R. Steinbaugh. LANL had a primary role in characterizing the geochemistry such as AE Ogard and J.R. Kerrisk [55], and LANL scientists conducting radionuclide sorption measurements and assigning uncertainty distributions include I.R. Triay (formation of sorption and colloid-facilitated experimental teams [155]); A. Meijer (sorption distributions for PA-VA [155], and re-evaluation for PA-LA in UZ [158] and SZ [159]); R.S. Rundberg [58]; K. Wolfsberg [56]; P.W. Reimus [156]; and B.A. Robinson. In addition, LANL scientists first proposed and searched for bomb-pulse 36CL to evaluate the possibility of deep fracture flow, consistent with 1983 USGS conceptual model: A.E. Norris [72]; J. T. Fabryka-Martin [87] and A.V. Wolfsberg [152]. Contributors to the characterization of igneous and seismic hazards are discussed in a companion paper [6]. Because so many scientists and engineers were involved in site characterization at YMP, the authors recognize that this list is unavoidably incomplete, and we apologize for omissions and oversights. NR 192 TC 25 Z9 25 U1 4 U2 37 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 32 EP 52 DI 10.1016/j.ress.2013.06.020 PG 21 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800003 ER PT J AU Rechard, RP Voegele, MD AF Rechard, Rob P. Voegele, Michael D. TI Evolution of repository and waste package designs for Yucca Mountain disposal system for spent nuclear fuel and high-level radioactive waste SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Repository design; Container design; High-level radioactive waste; Radioactive waste repository; Performance assessment; Yucca Mountain ID PERFORMANCE AB This paper summarizes the evolution of the engineered barrier design for the proposed Yucca Mountain disposal system. Initially, the underground facility used a fairly standard panel and drift layout excavated mostly by drilling and blasting. By 1993, the layout of the underground facility was changed to accommodate construction by a tunnel boring machine. Placement of the repository in unsaturated zone permitted an extended period without backfilling; placement of the waste package in an open drift permitted use of much larger, and thus hotter packages. Hence in 1994, the underground facility design switched from floor emplacement of waste in small, single walled stainless steel or nickel alloy containers to in-drift emplacement of waste in large, double-walled containers. By 2000, the outer layer was a high nickel alloy for corrosion resistance and the inner layer was stainless steel for structural strength. Use of large packages facilitated receipt and disposal of high volumes of spent nuclear fuel. In addition, in-drift package placement saved excavation costs. Options considered for in-drift emplacement included different heat loads and use of backfill. To avoid dripping on the package during the thermal period and the possibility of localized corrosion, titanium drip shields were added for the disposal drifts by 2000. In addition, a handling canister, sealed at the reactor to eliminate further handling of bare fuel assemblies, was evaluated and eventually adopted in 2006. Finally, staged development of the underground layout was adopted to more readily adjust to changes in waste forms and Congressional funding. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Rechard, Rob P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rechard, RP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rprecha@sandia.gov FU DOE National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories (SNL) is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors wish to thank LA. Connolly, SNL, for help with references, and S.K. Best, Raytheon, for illustration support. The historical perspective and opinions presented are those of the authors and are not necessarily those held by reviewers, SNL, or DOE. As a historical perspective, the authors are reporting on the work of others; however, any interpretative errors of documentation are those of the authors alone. Each performance assessment discussed in this paper required numerous participants with expertise in many areas of science and technology. The most complete listing of these participants is made by examining the extensive reference list. However, many of references are corporate documents without authors. Furthermore, the extensive time some scientists and engineers devoted to the design of the YM disposal system and the handoff between different scientists and engineers as YMP transitioned through four study phases (site identification, feasibility analysis, suitability analysis, and compliance analysis [2, Table 1]) is more evident if some of the persons and organizations are acknowledged here. Engineers supervising the early design include L. Scully, SNL (SCP conceptual design [50]); H.R. MacDougall, SNL (SCP conceptual design [51]); J.R. Tillerson, SNL (SCP conceptual design [51]); J.A. Fernandez, SNL (borehole and shaft sealing [35]; S.G. Bertram, SNL (options for construction [36]). The evaluation of construction methods for the ESF in 1991 involved a number of contributors [58]: L.S. Costin, SNL, R.E. Finley, SNL; A. Dennis, SNL; M.W. Parsons, SAIC; W.J. Boyle, RE/SPEC now at DOE; P. Gnirk, RE/SPEC; D.K. Parrish, RE/SPEC; N. Elkins, LANL; R.W. Craig, USGS; M.D. Voegele, SAIC; W Kennedy; and L. Merkhoffer, ADA (decision analysis). The repository design became a major task of the engineering branch of the Management and Operator Contractor after 1995 (first TRW from 1995 to 2000 and then BSC-Bechtel SAIC Company-from 2000 to 2008) and included H. Benton, G. Gordon; D. Bullock; M. Johnson; D. McKenzie; R. Sandifer; R.D. Snell. However, analysis of design options continued to occur by individuals in other branches, for example, L.D. Ramspott, LLNL and T.A. Buscheck, LLNL (champions of a hot repository design for PA-93 [59] and thereafter [60], respectively), E.L. Hardin, LLNL/BSC now at SNL [104] and D.A. Chesnut, LLNL Furthermore, the License Application Design Selection (LADS) study [95] was a particularly large design analysis, which evaluated the influence of design modifications on PA-VA and, thus, involved many of the persons acknowledged in a companion paper on the PA progression [4]. As part of the LLNL role in characterizing the near field and analyzing waste package performance [104], several experiments on the long term behavior of the waste container corrosion were conducted and persons contributing include W. Clarke; G.E. Gdowski (PA-95, PA-VA, and PA-SR); J.C. Farmer (PA-95, PA-VA and PA-SR [93]; R.D. McCright; J.A. Blink; R.B. Rebak, now at GE; B.S. El Dasher; J.C. Estill; K.J. Evans; D.V. Fix; T. Lian, now at EPRI; C. Orme; J.A. Rard; T.J. Reshel; M. Sutton; and S.G. Torres. For PA-LA, others also contributed: J.H. Payer, Case Western Reserve University (also peer review for PA-VA [105] and PA-SR); F.D.; Wall, SNL (experimental and model review of LLNL results [106]); D.G. Enos, SNL (experimental and model review of LLNL results); and K.B. He lean, SNL (experimental and model review of LLNL results). Other contributors included Gopal De, BSC (experimental modeling PA-SR) and oversight of the corrosion work at TRW/BSC included P Pasupathi [93] (PA-VA and PA-SR), D. Stahl (PA-95, PA-VA, and PA-SR), and N.R. Brown, BSC/LANL now at SNL (PA-LA) [106]. Contributors to experiments on CSNF degradation were AJ Rothman, LLNL (cladding degradation at time of PA-EA [1071); R.B. Stout and W.L. Bourcier of LLNL (waste form characteristics for PA-91, PA-93, and PA-95); S.A. Steward, LLNL (experimental analysis of un-irradiated fuel for PA-95, PA-VA, PA-SR); C.N. Wilson, PNNL (batch tests of CSNF dissolution for PA-91 [108] and PA-93); and W.J. Gray, PNNL (CSNF dissolution data from single-pass, flow-through tests used for PA-VA and thereafter [109]); and B. Hansen, PNNL (oxic degradation of CSNF for PA-VA and PA-SR and re-analysis of CSNF dissolution data for PA-LA). In addition, J. Bates, ANL [110], conceived of and later J. Cunnane, ANL led the hot-cell CSNF drip experiments that provided surface area data to supplement data by W.J. Gray for PA-LA. The ANL drip test were supported first by P.A. Finn, ANL [111] and then R. Finch, ANL now at SNL [112]. J. Bates also supervised early evaluation of HLW glass degradation (PA-EA [113]). Later, W.L. Bourcier, LLNL (conducted experiments of HLW glass degradation for PA-95 [88]). Finally, W.L. Ebert, ANL was the prominent contributor to HLW degradation experiments (PA-VA, PA-SR [114], PA-LA). Contributors to the analysis of experiments for inclusion in models are acknowledged in companion papers on container degradation [6] and waste form degradation [7]. Because so many engineers and scientists were involved in repository design, container design and corrosion experiments, and waste form degradation experiments at YMP, the authors recognize that this list is unavoidably incomplete, and we apologize for omissions and oversights. NR 137 TC 4 Z9 5 U1 2 U2 25 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 53 EP 73 DI 10.1016/j.ress.2013.06.018 PG 21 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800004 ER PT J AU Rechard, RP Freeze, GA Perry, FV AF Rechard, Rob P. Freeze, Geoff A. Perry, Frank V. TI Hazards and scenarios examined for the Yucca Mountain disposal system for spent nuclear fuel and high-level radioactive waste SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Scenario development; High-level radioactive waste; Spent nuclear fuel; Radioactive waste disposal; Performance assessment; Yucca Mountain ID ISOLATION PILOT-PLANT; STABLE-ISOTOPE EVIDENCE; WELLS-VOLCANIC-CENTER; PERFORMANCE ASSESSMENT; BASALTIC VOLCANISM; UNSATURATED TUFF; STRAIN ACCUMULATION; SOUTHERN NEVADA; RISK-ASSESSMENT; REPOSITORY AB This paper summarizes various hazards identified between 1978 when Yucca Mountain, located in arid southern Nevada, was first proposed as a potential site and 2008 when the license application to construct a repository for spent nuclear fuel and high-level radioactive waste was submitted. Although advantages of an arid site are many, hazard identification and scenario development have generally recognized fractures in the tuff as important features; climate change, water infiltration and percolation, and an oxidizing environment as important processes; and igneous activity, seismicity, human intrusion, and criticality as important disruptive events to consider at Yucca Mountain. Some of the scientific and technical challenges encountered included a change in the repository design from in-floor emplacement with small packages to in-drift emplacement with large packages without backfill. This change, in turn, increased the importance of igneous and seismic hazards. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Rechard, Rob P.; Freeze, Geoff A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Perry, Frank V.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. RP Rechard, RP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rprecha@sandia.gov FU DOE National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories (SNL) is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors wish to thank L.A. Connolly, SNL, for help with references, and S.K. Best, Raytheon, for illustration support. The historical perspective and opinions presented are those of the authors and are not necessarily those held by reviewers, SNL, or DOE. As a historical perspective, the authors are reporting on the work of others; however, any interpretative errors of documentation are those of the authors alone. Each performance assessment discussed in this paper required numerous participants with expertise in many areas of science and technology. The most complete listing of these participants is made by examining the extensive reference list. However, many of references are corporate documents without authors. Furthermore, the extensive time some scientists and engineers devoted to examining hazards and their probability and the handoff between scientists and engineers as YMP transitioned through four study phases (site identification, feasibility analysis, suitability analysis, and compliance analysis [4, Table 1] is more evident if some of the persons are acknowledged here in somewhat chronological order. Specifically, prominent contributors to the FEP process (either identification or screening) include R.L. Hunter, SNL, and G.E. Barr, SNL (FEP sequences for PA-EA [46], PA-91, and PA-93 [47;48]); R.W. Barnard, SNL, (for human and igneous intrusion FEP analysis for PA-91 [13] and PA-93 [14], igneous and criticality scenario classes in PA-VA [101]), P.N. Swift, SNL (transition to NRC/SNL methodology between PA-VA [24] and modeling igneous disruption for PA-SR [133]); D. McGregor (disruptive FEPs in PA-VA [107], development and oversight of the FEP screening rationale in PA-SR); G Freeze, SNL (FEP methodology in PA-SR [301); P. Nair, BSC now at DOE (development and oversight of the FEP screening rationale in PA-SR); J.A. Blink, LLNL, and T. Ehrhorn (FEP database in PA-SR and PA-LA [32]); S. Kuzio, SNL, and R.L. Howard, ORNL (oversight of the FEP process in PA-LA). LANL had a prominent role in evaluating the hazard of igneous activity and persons involved throughout the PA iterations were B. Crowe, LANL, G. Valentine, LANL, F.V. Perry, LANL (PA-EA [124], PA-91 [128], PA-93 [129], PVHA [37]), PA-VA, PA-SR [132], PA-LA [119]. Also, K. Coppersmith (implemented the expert panels for the probabilistic volcanic hazard analysis, PVHA, and probabilistic seismic hazard analysis, PSHA [51]. Contributors who translated the work of the PVHA included M. Sauer, SNL (number of packages hit for PA-SR); M.D. Wallace, SNL (number of packages hit for PA-LA [1401); G. Keating, LANL (atmoshperic dispersal and tephra deposition from a potential volcanic eruption for PA-LA [169]; and D. Krier, LANL (characteristics of eruptive process for PA-LA [142]. M.B. Gross; R.C. Quittmeyer; R. Youngs; M.A. Gerhard, LLNL; S.W. Alves, LLNL; J. King, SAIC; R. Kennedy; and A. Cornell, Stanford, were involved in translating the work of the PSHA expert panel for use by PA-SR and PA-LA [144]. Various personal were involved in evaluating the hypothesis of water table rise at USGS such as Z.E. Peterman [106]; J.B. Paces [104], J.F. Whelan [106], J.S. Stuck less [61]; J.B. Czarnecki; and at LLNL C.R. Carrigan, and at SNL G.C.P. King, G.E. Barr, and N.E. Bixler [63]. Persons evaluating the criticality hazard include P.; Gottlieb, TRW (criticality lead for PA-VA and PA-SR [110]); J. Massari, TRW.; J. Scaglione, TRW/BSC/ORNL (neutronic criticality calculations for PA-VA, PA-SR [112], and PA-LA [113]); A Alsaed, TRW/BSC (criticality modeling for PA-VA and PA-SR); J.A. McClure, BSC (criticality probabilities for PA-LA [121]; J. Wagner, ORNL (PA-LA [113]). Furthermore, H. W. Stockman, SNL, S. Le Strange, BSC [122], J.P. Nicot, UT, and P. Mariner, SNL evaluated chemistry influencing fissile deposition in the engineered barrier and initial portion of the UZ of the natural barrier. Also, R.P. Rechard, SNL, M.S. Tierney, SNL, and L. C. Sanchez, SNL, published analysis of criticality potential for DSNF for PA-SR [39,108,109]. Numerous persons were involved in examining specific FEPs related to the topics of companion papers and are acknowledged therein. Because so many scientists and engineers were involved in FEP analysis at YMP, the authors recognize that this list is unavoidably incomplete, and we apologize for omissions and oversights. NR 157 TC 3 Z9 3 U1 1 U2 18 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 74 EP 95 DI 10.1016/j.ress.2013.06.014 PG 22 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800005 ER PT J AU Rechard, RP Wilson, ML Sevougian, SD AF Rechard, Rob P. Wilson, Michael L. Sevougian, S. David TI Progression of performance assessment modeling for the Yucca Mountain disposal system for spent nuclear fuel and high-level radioactive waste SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Performance assessment; High-level radioactive waste; Spent nuclear fuel; Radioactive waste disposal; Probabilistic risk assessment; Yucca Mountain ID ISOLATION PILOT-PLANT; SATURATED FRACTURED TUFF; SENSITIVITY-ANALYSIS; THERMOHYDROLOGIC CONDITIONS; PROBABILITY-DISTRIBUTIONS; UNCERTAINTY; REPOSITORY; NEVADA; ASSIGNMENT; PARAMETERS AB This paper summarizes the evolution of consequence modeling for a repository for spent nuclear fuel and high-level radioactive waste at Yucca Mountain in southern Nevada. The discussion includes four early performance assessments (PAs) conducted between 1982 and 1995 to support selection and to evaluate feasibility and three major PAs conducted between 1998 and 2008 to evaluate viability, recommend the site, and assess compliance. Modeling efforts in 1982 estimated dose to individuals 18 km from the site caused by volcanic eruption through the repository. Modeling in 1984 estimated releases via the groundwater pathway because of container corrosion. In combination, this early analysis supported the first environmental assessment Analysts in 1991 evaluated cumulative release, as specified in the 1985 US radiation protection standards, via the groundwater pathway over 10(4) yr at a 5-km boundary by modeling waste degradation and flow/transport in the saturated and unsaturated zones. By 1992, however, the US Congress mandated a change to a dose measure. Thus, the 1993 and 1995 performance assessments improved modeling of waste container degradation to provide better estimates of radionuclide release rates out to 10(6) yr. The 1998 viability assessment was a major step in modeling complexity. Dose at a 20-km boundary from the repository was evaluated through 10(6) yr for undisturbed conditions using more elaborate modeling of flow and the addition of modules for modeling infiltration, drift seepage, the chemical environment, and biosphere transport. The 2000 assessment for the site recommendation refined the analysis. Seepage modeling was greatly improved and waste form degradation modeling included more chemical dependence. The 2008 compliance assessment for the license application incorporated the influence of the seismicity on waste package performance to evaluate dose at an similar to 18-km boundary. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Rechard, Rob P.; Wilson, Michael L.; Sevougian, S. David] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rechard, RP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rprecha@sandia.gov FU DOE National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories (SNL) is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors wish to thank L.A. Connolly, SNL, for help with references, and S.K. Best, Raytheon, for illustration support. The historical perspective and opinions presented are those of the authors and are not necessarily those held by reviewers, SNL, or DOE. As a historical perspective, the authors are reporting on the work of others; however, any interpretative errors of documentation are those of the authors alone. Each performance assessment discussed in this paper required numerous participants with expertise in many areas of science and technology. The most complete listing of these participants is made by examining the extensive reference list. However, many of references are corporate documents without authors. Also, the extensive time some scientists and engineers devoted to PA modeling and the handoff between different scientists and engineers as YMP transitioned through four study phases (site identification, feasibility analysis, suitability analysis, and compliance analysis [3, Table 1]) is more evident if some of the organizations and persons are acknowledged here in somewhat chronological order. SNL had a prominent role in the PA methodology in the 1980s and early 1990s and contributors to the progression of PA modeling include Y.T. Lin, SNL and J.P. Brannen, SNL (development of SAMPLE and transport modeling for PA-EA [12]); R. R. Peters (transport comparisons for PA-EA [23] and TOSPAC development for PA-91 [24]); M.S. Tierney, SNL (TOSPAC mathematical basis [24] and PA methodology in SCP [26, Section 8.3.5.13]]; JH.. Gauthier, SNL (PA-EA [23], PA-91 [14], PA-93 [15], PA-VA, and PA-SR); R.W. Barnard (PA-91 [14], PA-93 [15], and disruptive events for PA-VA); M.L. Wilson, SNL (design of PA-91 [40] and PA-93 [15], seepage for PA-VA and PA-SR). PNNL contributors included PW Eslinger (preliminary PAs in late 1980s [28] and PA-PNNL-91 [45]); and P.G. Doctor (preliminary PAs [46]). By the mid 1990s, the M&O Contractor to DOE had responsibility for the PA and contributors included S.D. Sevougian, Intera/Duke/Areva/SNL (RIP programming lead for PA-95 [16] and technical lead for PA modeling for PA-VA [17], PA-SR [59], and PA-LA [2]); J.A. McNeish, Intera/Duke/Areva/SNL (technical lead for PA-M&O-93 [51] and PA-95 [16], and managerial oversight for PA-VA [17], PA-SR [59], and PA-LA [2]). Implementers of these later PAs were V. Vallikat, Intera/Duke (RIP programming lead for PA-VA), E. Devenoc, Duke (simulation run management for PA-VA); P. Mattie, Intera/SNL (Goldsim programming lead for PA-SR [60]); D. Kalinich, Areva now at SNL (Goldsim programming for SR seepage, lead for SSPA [65] and PA-EIS [66]); K.P. Lee, Areva (Goldsim programming lead for PA-LA); S. Mehta, Areva (Goldsim programming for PA-LA). Contributors to specific analysis include P.N. Swift, SNL (oversight of igneous disruption for PA-SR); M. Sauer, SNL (parameters for volcanic eruption in ASHPLUME for PA-SR); D. Krier, LANL (characteristics of eruptive process for PA-LA [61]; G. Kerring and C. Harrington, LANL (analysis of volcanic eruptions with ASHPLUME for PA-LA [72]); ES Gaffney (analysis of interaction of magma dike with repository drift for PA-LA [74]).; Also, the task of translating the results of process models for PA included GA Behie, Areva (waste package and seepage PA modeling in engineered barrier system for PA-LA) and B Lester (PA modeling of the natural barrier system in PA-LA). Additional contributors for PA-LA include J.C. Helton, ASU (design of PA-LA [2, App. J; 70]); C.J. Sallaberry, SNL (implementation and sensitivity analysis of PA-LA [2, App. K; 70]); and C.W. Hansen, SNL (design and implementation of PA-LA analysis [2, App. K; 70]). PA managerial oversight during the iterations were S. Sinnock, SNL (PA-EA); F.W. Bingham, SNL (SCP, PA-91, and PA-93); A.E. Van Luik, PNNL/Intera now DOE (preliminary PAs in late 19805 [28], and PA-M & O-93); H.A. Dockery, SNL (PA-93 and PA-VA); R.W. Andrews, Intera/Duke/BSC now Intera (PA-95, PA-VA, and PA-SR); M.K. Knowles, SNL (PA-LA). Many of these contributors were also involved with the analysis of results and are also acknowledged along with others in a companion paper [50]. Furthermore, contributors to the development of specific PA modules such as igneous intrusion, UZ flow, waste containear, waste form, and transport have been acknowledged in those companion papers [5,7-10]. Because so many scientists and engineers were involved in conducting the PAs at YMP, the authors recognize that this list is unavoidably incomplete, and we apologize for omissions and oversights. NR 144 TC 3 Z9 3 U1 4 U2 19 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 96 EP 123 DI 10.1016/j.ress.2013.06.026 PG 28 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800006 ER PT J AU Rechard, RP Birkholzer, JT Wu, YS Stein, JS Houseworth, JE AF Rechard, Rob P. Birkholzer, Jens T. Wu, Yu-Shu Stein, Joshua S. Houseworth, James E. TI Unsaturated flow modeling in performance assessments for the Yucca Mountain disposal system for spent nuclear fuel and high-level radioactive waste SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Unsaturated fluid flow; High-level radioactive waste; Spent nuclear fuel; Radioactive waste disposal; Performance assessment; Yucca Mountain ID SATURATED FRACTURED TUFF; SCALE MODEL; NEVADA; SEEPAGE; ZONE; TRANSPORT; HYDROLOGY; PATTERNS; DRIFTS; ROCK AB This paper summarizes the progression of modeling efforts of infiltration, percolation, and seepage conducted between 1984 and 2008 to evaluate feasibility, viability, and assess compliance of a repository in the unsaturated zone for spent nuclear fuel and high-level radioactive waste at Yucca Mountain, Nevada. Scientific understanding of infiltration in a desert environment, unsaturated percolation flux in fractures and matrix of the volcanic tuff, and seepage into an open drift in a thermally perturbed environment was initially lacking in 1984. As understanding of the Yucca Mountain disposal system increased through site characterization and in situ testing, modeling of infiltration, percolation, and seepage evolved from simple assumptions in a single model in 1984 to three modeling modules each based on several detailed process models in 2008. Uncertainty in percolation flux through Yucca Mountain was usually important in explaining the observed uncertainty in performance measures: cumulative release in assessments prior to 1995 and individual dose, thereafter. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Rechard, Rob P.; Stein, Joshua S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Birkholzer, Jens T.; Houseworth, James E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Wu, Yu-Shu] Colorado Sch Mines, Golden, CO 80401 USA. RP Rechard, RP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rprecha@sandia.gov RI Wu, Yu-Shu/A-5800-2011; Birkholzer, Jens/C-6783-2011; Houseworth, James/D-8749-2015 OI Birkholzer, Jens/0000-0002-7989-1912; FU DOE National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories (SNL) is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors wish to thank LA. Connolly, SNL, for help with references, and S.K. Best, Raytheon, for illustration support. The historical perspective and opinions presented are those of the authors and are not necessarily those held by reviewers, SNL, or DOE. As a historical perspective, the authors are reporting on the work of others; however, any interpretative errors of documentation are those of the authors alone. Each performance assessment discussed in this paper required numerous participants with expertise in many areas of science and technology. The most complete listing of these participants is made by examining the extensive reference list. However, many of references are corporate documents without authors. Furthermore, the extensive time some scientists and engineers devoted to UZ flow modeling and the handoff between different scientists and engineers as YMP transitioned through four study phases (site identification, feasibility analysis, suitability analysis, and compliance analysis [6, Table 1] is more evident if acknowledged here in somewhat chronological order. Specifically, contributors to the analysis of UZ flow include R.R. Peters, SNL and E.A. Klavetter, SNL (early modeling of UZ flow with TOSPAC for PA-EA [19] and SCP [20]); K. Pruess, LBNL (TOUGH2 development [53]); J.H. Gauthier, SNL (UZ flow analysis for PA-EA [19], PA-91 [14], PA-93 [15], PA-VA, and PA-SR); M.L. Wilson, SNL (UZ flow analysis for PA-91, PA-93, and PA-VA [30], seepage abstraction for PA-SR); R.R. Eaton, SNL (UZ flow analysis for PA-91 [14] and PA-93 [15]); G.S. Bodvarsson, LBNL (development of UZ flow process modeling team, conceptual flow model development, and analysis for PA-95 [43], PA-VA [52], and PA-SR [29]); T.M. Bandurraga, LBNL (conceptual flow model and calibration for PA-VA [58]); C.F. Ahlers, LBNL (calibration of flow properties in PA-VA [57] and PA-SR [68]); Y-S. Wu, LBNL now at Colorado School of Mines (modeling and analysis for PA-VA [51], PA-SR [71], and PA-LA [67]); E.L. Sonnenthal, LBNL (consistency of geochemistry with modeling for PA-VA [60]); J. Hinds, LBNL (ESF data analysis for PA-VA [52] and numerical grids for PA-SR [69] and PA-LA); H-H. Liu, LBNL (active fracture model [55] for PA-SR and thereafter, and calibration of UZ flow properties for PA-LA [79]); L Pan, LBNL (numerical grids for PA-SR [69] and hydrologic properties for PA-LA [80]); P. Dobson, LBNL (numerical grids for PA-SR and PA-LA); C.K. Ho, SNL (PA lead on UZ flow for PA-VA [30], PA-SR [29], and PA-LA); D.A. Chesnut, LLNL (seepage abstraction for PA-91 [38] and PA-93); J.T. Birkholzer, LBNL (seepage testing for PA-VA [61] and PA-SR [82] and abstraction PA-LA [81]. Several USGS geologists contributed to modeling infiltration for PA-VA [46] and PA-SR [23]: A. Flint, J.A. Hevesi, and L. Flint. For PA-LA, J. Stein, SNL led the team evaluating infiltration [24]. USGS and LBNL geoscientists also contributed much to characterizing the UZ as noted in a companion paper [5]. Because so many scientists and engineers were involved in evaluating UZ flow at YMP, the authors recognize that this list is unavoidably incomplete, and we apologize for omissions and oversights. NR 75 TC 2 Z9 2 U1 2 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 124 EP 144 DI 10.1016/j.ress.2013.06.025 PG 21 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800007 ER PT J AU Rechard, RP Lee, JH Hardin, EL Bryan, CR AF Rechard, Rob P. Lee, Joon H. Hardin, Ernest L. Bryan, Charles R. TI Waste package degradation from thermal and chemical processes in performance assessments for the Yucca Mountain disposal system for spent nuclear fuel and high-level radioactive waste SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Container degradation; High-level radio-active waste; Spent nuclear fuel; Radioactive waste disposal; Performance assessment; Yucca Mountain AB This paper summarizes modeling of waste container degradation in performance assessments conducted between 1984 and 2008 to evaluate feasibility, viability, and assess compliance of a repository for spent nuclear fuel and high-level radioactive waste at Yucca Mountain, Nevada. As understanding of the Yucca Mountain disposal system increased, modeling of container degradation evolved from a component of the source term in 1984 to a separate module describing both container and drip shield degradation in 2008. A thermal module for evaluating the influence of higher heat loads from more closely packed, large waste packages was also introduced. In addition, a module for evaluating drift chemistry was added in later PAs to evaluate the potential for localized corrosion of the outer barrier of the waste container composed of Alloy 22, a highly corrosion-resistant nickel-chromium-tungsten-molybdenum alloy. The uncertainty of parameters related to container degradation contributed significantly to the estimated uncertainty of performance measures (cumulative release in assessments prior to 1995 and individual dose, thereafter). (C) 2013 Elsevier Ltd. All rights reserved. C1 [Rechard, Rob P.; Lee, Joon H.; Hardin, Ernest L.; Bryan, Charles R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rechard, RP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rprecha@sandia.gov FU DOE National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories (SNL) is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors wish to thank LA. Connolly, SNL, for help with references, and S.K. Best, Raytheon, for illustration support. The historical perspective and opinions presented are those of the authors and are not necessarily those held by reviewers, SNL, or DOE. As a historical perspective, the authors are reporting on the work of others; however, any interpretative errors of documentation are those of the authors alone. Each performance assessment discussed in this paper required numerous participants with expertise in many areas of science and technology. The most complete identification of these participants is found by examining the extensive reference list. However, many of references are corporate documents without authors. Furthermore, the extensive time some scientists and engineers devoted to the analysis of container degradation and the handoff between different scientists and engineers as YMP transitioned through four study phases (site identification, feasibility analysis, suitability analysis, and compliance analysis [10, Table 1]) is more evident if acknowledged here in somewhat chronological order: These persons include W.G. Halsey, LLNL (Lead for development of YMIM for PA-93 [14]); J.H. Lee, Intera/Duke/SNL (team lead and analysis for PA-95 [15], PA-VA [42], PA-SR, and PA-LA); J. Atkins, Intera (statistical design for WAPDEG [15]); KG. Mon, Duke/Areva (container degradation modeling PA-VA [42], PA-SR [51], and PA-LA [56]); B.E. Bullard, Intera/Duke/Areva (refinement of WAPDEG statistics in PA-95 [15], PA-VA [42], PA-SR, and PA-VA); A. Behie [56], Areva (implementation of waste container modeling for PA-LA) J.A. McClure, BSC, estimated the probability of various mechanisms of early package and drip shield failure for PA-LA [70]. E.L. Hardin contributed to the general analysis of the altered zone about the drifts (for PA-VA [35] and the drift chemical environment for PA-SR [49]). Contributors for thermal modeling include T.A. Buscheck, LLNL (thermal process modeling PA-95 [33], PA-VA [36], PA-SR, and PA-LA); J. J. Nitao, LLNL (development of V-TOUGH for PA-93 and predecessor of NUFT for PA-VA [31]); D. Francis, SNL and M.T. Itamura, SNL (thermal abstraction for PA-VA [28] and PA-SR). Contributors to analyzing drift wall condensation and ventilation include SW Webb, SNL [69] and V. Chipman of LLNL, now at NSTEC. Contributors to analyzing the chemical environment include T.J. Wolery, LLNL (development of geochemical process code EQ3/6 used for all PAs [41]); D.C. Sassani, Intera/Duke now at SNL (solubility and solubility working group for PA-95 [15] and evolution of chemical environment for PA-VA [401); D.M. Jolley, Duke/Areva (chemical environment for PA-VA [40], microbial environment for PA-SR [54]); Y. Wang, SNL (microbial environment for PALA [551); P. Mariner, Duke/SNL (chemical environment for PA-VA [40], precipitation of salts for PA-SR [48] and PA-LA [60]); E.L. Sonnenthal, LBNL (development of THC model for PA-SR [47]); N. Spycher, LBNL (development of THC model for PA-SR [46]); J. Novak, SNL (architecture of geochemistry modeling for PA-SR); C. R. Bryan, SNL (evolution of water chemistry for PA-LA [4, Section 6.3.4.2; 58]); and K.B. Helean, SNL (drift chemical environment for PA-LA [59]).; Contributors to analyzing seismic degradation of the drift and waste container response include M. Board, Itasca/BSC now Itasca (lead for drift degradation and seismic work in early PA-LAs 168]); D.C. Kicker, Itasca (lead analyst of drift degradation [681); M. Lin, Itasca (analysis of drift degradation [68]) B. Danjanac, Itasca (drift degradation [67]); M.B. Gross (seismic consequence in PA-LA [66]); M.A. Gerhard, LLNL; S.W. Alves, LLNL; R.C. Quittmeyer. Contributors to the experimental evaluation of the seismicity, container material corrosion, and the environment at the EBS/NBS interface are acknowledged in companion papers on hazard analysis [8], the engineered barrier design [9], and natural barrier characterization [10]. Because so many scientists and engineers were involved in the design and evaluation of the efficacy of the waste container at YMP, the authors recognize that this list is unavoidably incomplete, and we apologize for omissions and oversights. NR 62 TC 3 Z9 3 U1 0 U2 9 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 145 EP 164 DI 10.1016/j.ress.2013.06.027 PG 20 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800008 ER PT J AU Rechard, RP Stockman, CT AF Rechard, Rob P. Stockman, Christine T. TI Waste degradation and mobilization in performance assessments for the Yucca Mountain disposal system for spent nuclear fuel and high-level radioactive waste SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Waste degradation; Radionuclide solubility; Colloid-facilitated transport; High-level radioactive waste; Performance assessment; Yucca Mountain ID NEVADA; SITE AB This paper summarizes modeling of waste degradation and mobilization in performance assessments (PAs) conducted between 1984 and 2008 to evaluate feasibility, viability, and assess compliance of a repository for spent nuclear fuel and high-level radioactive waste at Yucca Mountain in southern Nevada. As understanding of the Yucca Mountain disposal system increased, the waste degradation module, or succinctly called the source-term, evolved from initial assumptions in 1984 to results based on process modeling in 2008. In early PAs, waste degradation had significant influence on calculated behavior but as the robustness of the waste container was increased and modeling of the container degradation improved, waste degradation had much less influence in later PAs. The variation of dissolved concentrations of radionuclides progressed from simple probability distributions in early PAs to functions dependent upon water chemistry in later PAs. Also, transport modeling of radionuclides in the waste, container, and invert were added in 1995; and, colloid-facilitated transport of radionuclides was added in 1998. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Rechard, Rob P.; Stockman, Christine T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rechard, RP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rprecha@sandia.gov FU DOE National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories (SNL) is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors wish to thank LA. Connolly, SNL, for help with references, and S.K. Best, Raytheon, for illustration support. The historical perspective and opinions presented are those of the authors and are not necessarily those held by reviewers, SNL, or DOE. As a historical perspective, the authors are reporting on the work of others; however, any interpretative errors of documentation are those of the authors alone. Each performance assessment discussed in this paper required numerous participants with expertise in many areas of science and technology. The most complete listing of these participants is found by examining the extensive reference list. However, many of references are corporate documents without authors. Furthermore, the extensive time some scientists and engineers devoted to the analysis of waste form degradation and the handoff between different scientists and engineers as YMP transitioned through four study phases (site identification, feasibility analysis, suitability analysis, and compliance analysis [8, Table 1]) is more evident if roles are acknowledged here. Specifically, contributors for the waste form module include A.E. Ogard, LANL, and J.F. Kerrisk, LANL (water chemistry and solubility for PA-EA [39]); T.J. Wolery, LLNL (development of geochemical process code EQ3/6 used for all PAs [77]); J. Johnson, LLNL (thermodynamic data base in EQ3/6); T. Steinborn (thermodynamic dissolution data for PA-VA and PA-SR); C.F. Jove-Colon, SNL (thermodynamic dissolution data for PA-LA); W.J. O'Connell, LLNL (source term for PA-91); W.G. Halsey, LLNL (lead for YMIM development for PA-93 and degradation and mobilization abstraction for PA-VA [56]); R.P. Rechard, SNL (lead for waste module and introduction of in-package chemistry to control other components for PA-SR [65]); C.T. Stockman, SNL (lead for waste module for PA-SR [65] and inventory uncertainty for PA-LA [82]); N.R. Brown, BSC/LANL now at SNL (lead for waste module for PALA). Specific persons contributing to various waste degradation components include P.V. Brady, SNL (in-package chemistry methodology in PA-SR [69] and PA-LA); P. Domski, Areva (package chemistry abstraction for PA-SR); P.E. Mariner, SNL (in-package chemistry modeling and abstraction for PA-LA [83]); E. Thomas (in-package chemistry abstraction for PA-LA [83]); Y. Chen, Duke/Areva (solubility component in PA-VA [64], PA-SR [70], and early PA-LA iterations); P. Bemot, Areva (solubility component in PA-LA); H.W. Papenguth, SNL (colloidal formation and stability methodology introduced in PA-SR [71]); R. Aguilar, SNL (colloidal properties in PA-SR); E.C. Buck, PNNL (colloids for PA-LA [87,88]); D.C. Sassani, Intera/Duke now at SNL (CSNF and HLW degradation for PA-95 [13], Solubility Working Group leader from 1994 until disband in 1996); W.L. Bourcier, LLNL (HLW glass degradation for PA-95 [55]); R.B. Stout, LLNL and S.A. Steward, LLNL (CSNF degradation for PA-95, PA-VA [56], and PA-SR [76]); J.C. Cunnane, ANL (CSNF degradation and inventory adjustment for excess Pu disposal for PA-LA [32]); W.L. Ebert, ANL (HLW glass degradation for PA-SR [73] and PA-LA); E. Siegmann, Duke/BSC (cladding degradation for PA-VA [56] and PA-SR [57]); T.A. Thronton (DSNF degradation for PA-SR); M.B. Gross (EBS Transport abstraction for PA-SR [79]); J.D.; Schreiber, SNL (EBS transport abstraction for PALA [85,86]); R.W. Barnard (Inventory for PA-91 [11] and PA-93 [12]) C. Leigh, SNL (Inventory for PA-SR [17]); and J.A. Blink, LLNL (Inventory adjustment for PA-LA). Additional persons contributing to the experimental evaluation of waste form degradation are acknowledged in a companion paper [7]. Because so many scientists and engineers were involved in modeling of waste form degradation at YMP, the authors recognize that this list is unavoidably incomplete, and we apologize for omissions and oversights. NR 82 TC 0 Z9 0 U1 1 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 165 EP 188 DI 10.1016/j.ress.2013.06.028 PG 24 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800009 ER PT J AU Rechard, RP Arnold, BW Robinson, BA Houseworth, JE AF Rechard, Rob P. Arnold, Bill W. Robinson, Bruce A. Houseworth, James E. TI Transport modeling in performance assessments for the Yucca Mountain disposal system for spent nuclear fuel and high-level radioactive waste SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Radionuclide transport; High-level radioactive waste; Spent nuclear fuel; Radioactive waste disposal; Performance assessment; Yucca Mountain ID SATURATED-ZONE; RADIONUCLIDE TRANSPORT; PARTICLE TRACKING; NEVADA; SITE; MIGRATION; SIMULATION AB This paper summarizes modeling of radionuclide transport in the unsaturated and saturated zone conducted between 1984 and 2008 to evaluate feasibility, viability, and assess compliance of a repository for spent nuclear fuel and high-level radioactive waste at Yucca Mountain, Nevada. One dimensional (1-D) transport for a single porosity media without lateral dispersion was solved in both the saturated zone (SZ) and unsaturated zone (UZ) for the first assessment in 1984 but progressed to a dual-porosity formulation for the UZ in the second assessment in 1991. By the time of the viability assessment, a dual-permeability transport formulation was used in the UZ. With the planned switch to a dose performance measure, individual dose from a drinking water pathway was evaluated for the third assessment in 1993 and from numerous pathways for the viability assessment in 1998 and thereafter. Stream tubes for transport in the SZ were initially developed manually but progressed to particle tracking in 1991. For the viability assessment, particle tracking was used to solve the transport equations in the 3-D UZ and SZ flow fields. To facilitate calculations, the convolution method was also used in the SZ for the viability assessment. For the site recommendation in 2001 and licensing compliance analysis in 2008, the 3-D transport results of the SZ were combined with 1-D transport results, which evaluated decay of radionuclides, in order to evaluate compliance with groundwater protection requirements. Uncertainty in flow within the unsaturated and saturated zone was generally important to explaining the spread in the individual dose performance measure. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Rechard, Rob P.; Arnold, Bill W.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Robinson, Bruce A.] Los Alamos Natl Lab, Environm Management Program, Los Alamos, NM 87545 USA. [Robinson, Bruce A.] Los Alamos Natl Lab, Nucl Waste Program, Los Alamos, NM 87545 USA. [Houseworth, James E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Rechard, RP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rprecha@sandia.gov RI Houseworth, James/D-8749-2015 FU DOE National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories (SNL) is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors wish to thank L.A. Connolly, SNL, for help with references, and S.K. Best, Raytheon, for illustration support. The historical perspective and opinions presented are those of the authors and are not necessarily those held by reviewers, SNL, or DOE. As a historical perspective, the authors are reporting on the work of others; however, any interpretative errors of documentation are those of the authors alone. Each performance assessment discussed in this paper required numerous participants with expertise in many areas of science and technology. The most complete listing of these participants is made by examining the extensive reference list. However, many of the references are corporate documents without authors. Furthermore, the extensive time some scientists and engineers devoted to the analysis of fluid flow and transport in YMP and the handoff between persons as YMP transitioned through four study phases (site identification, feasibility analysis, suitability analysis, and compliance analysis [6, Table 1]) is more evident if acknowledge here in somewhat chronological order. These persons include G.E. Barr, SNL (SZ flow for PA-91 and PA-93); B.W. Arnold, SNL (groundwater travel time prior to 1995 [29], SZ flow and transport for PA-VA [42], PA-SR [40], and PA-LA [69,76]); B.A. Robinson, LANL (process modeling of UZ and SZ transport for PA-VA [38], PA-SR [41], and PA-LA [39]); J.E. Houseworth, LBNL (abstraction for UZ transport in PA-VA, PA-SR, and PA-LA); G.A. Zyvoloski, LANL (development of FEHM for use in PA-VA [35] and thereafter [65] and site-scale flow model for PA-SR [56]); S.P. Kuzio, SNL (SZ flow and transport PA-VA, PA-SR [40], and PA-LA [59]); S. James, SNL (SZ flow for PA-LA 1231), A. Meijer (PA-VA, PA-SR [58], and PA-LA [62]); S. Kelkar, LANL (PA-SR and PA-LA [62]); P.W. Reimus, LANL (PA-SR [58] and PA-LA); A.A. Eddebbarh, LANL (PA-SR [58] and PA-LA 168]); B. Lester (abstraction for PA-LA); A.J. Smith, Duke/Areva (biosphere transport module for PA-VA, PA-SR, and PA-LA [72]); D.W. Wu (development of ERMYN for PA-LA 1721); and M.A. Olszewska-Wasiolek, Areva (biosphere transport module for PA-LA [75]). Contributors to the experimental evaluation of transport are acknowledged in a companion paper on characterization of the natural barrier [6]. Because so many scientists and engineers were involved in evaluating radionuclide transport at YMP, the authors recognize that this list is unavoidably incomplete, and we apologize for omissions and oversights. NR 68 TC 2 Z9 2 U1 3 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 189 EP 206 DI 10.1016/j.ress.2013.06.031 PG 18 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800010 ER PT J AU Rechard, RP AF Rechard, Rob P. TI Results from past performance assessments for the Yucca Mountain disposal system for spent nuclear fuel and high-level radioactive waste SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Parameter sensitivity; Performance assessment; High-level radioactive waste; Radioactive waste disposal; Probabilistic risk assessment; Yucca Mountain ID ISOLATION PILOT-PLANT; PROBABILITY-DISTRIBUTIONS; UNSATURATED TUFF; ASSIGNMENT; PARAMETERS; REPOSITORY; NEVADA AB This paper summarizes the progression of results through four early performance assessments (PM) conducted to support selection and to evaluate feasibility and three major PM conducted to evaluate viability, recommend the site, and assess compliance of a repository for spent nuclear fuel and high-level radioactive waste at Yucca Mountain, Nevada. The early PM in 1984, 1991,1993, and 1995 evaluated cumulative release over 10(4) yr at a 10-km or 5-km boundary as specified in the draft and final 1985 radiation protection standard, respectively. During the early PM, the fission products Tc-99, I-129 and activation products C-14, and Cl-36 were identified as important radionuclides at the beginning of the regulatory period. The actinide, Np-237, often dominated at the end of the regulatory period. Package and repository design options were evaluated during the early PM but modeling did not identify strong preferences. In 1992 Congress mandated a change to a dose measure. Dose at a 20-km boundary from the repository was evaluated through 10(6) yr for the undisturbed scenario class via the groundwater pathway for the Congressionally mandated viability assessment in 1998. For the assessment for the site recommendation in 2000, doses from igneous eruption dominated in the first similar to 3000 yr, doses from igneous intrusion between similar to 3000 yr and similar to 40,000 yr, and doses from the undisturbed scenario class through 10(6) yr. The 2008 compliance assessment for the license application incorporated the influence of the seismic scenario class on waste package performance. The compliance assessment found that doses from the igneous intrusive scenario class and the combined undisturbed and seismic scenario class were important contributors at the similar to 18-km boundary. In the compliance PA, Tc-99 and I-129 fission products and C-14 activation product were important in the first 10(4) yr. Beyond 10(4) yr, actinides Pu-239, Pu-242, Np-237, and U-238 decay product Ra-226 were important. In all PM, parameters of the natural barrier were important, but in the three latter PM, the slow degradation of the large, in-drift container had an important role in explaining the uncertainty in the peak dose. (C) 2013 Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rechard, RP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rprecha@sandia.gov FU DOE National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories (SNL) is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE National Nuclear Security Administration under Contract DE-AC04-94AL85000. The author wishes to thank H.J. Iuzzolino, Numerics, Inc, and J. McMath, SNL student intern, for digitizing early release and dose curves, L.A. Connolly, SNL, for help with references, and S.K. Best, Raytheon, for illustration support. The historical perspective and opinions presented are those of the author and are not necessarily those held by reviewers, SNL, or DOE. As a historical perspective, the author is reporting on the work of others; however, any interpretative errors of documentation are those of the author alone. Each performance assessment discussed in this paper required numerous participants with expertise in many areas of science and technology. The most complete listing of these participants is made by examining the extensive reference list. However, many of the references are corporate documents without authors. Furthermore, the extensive time some scientists and engineers devoted to the analysis of the YM repository and the handoff between different scientists and engineers as YMP transitioned through four study phases (site identification, feasibility analysis, suitability analysis, and compliance analysis [10, Table 1]) is more evident if acknowledged here in a somewhat chronological order. These persons include Y.T. Lin, SNL (PA-EA [14]); J.P. Brannen, SNL [14]; M.L. Wilson, SNL (PA-91 [36], PA-93 [17], PA-VA [19], and PA-SR); J.H. Gauthier, SNL (PA-91 [16], PA-93 [17], PA-VA [43], and PA-SR); R.W. Barnard, SNL (PA-91 [16], PA-93 [17], and disruptive events for PA-VA); R.W. Andrews Intera/Duke/BSC (PA-M&O-93 [21], PA-95 [18], PA-VA [19], and PA-SR); J.A. McNeish, Intera/Duke/SNL (PA-M&O-93 [21], PA-95 [18], PA-VA [19], PA-SR [27], PA-LA [2,21]); S.D. Sevougian Intera/Duke/SNL (PA-95 [18], PA-VA [43], PA-SR, and PA-LA); R.J. MacKinnon, SNL (analysis for PA-VA [43] and PA-SR; barrier analysis for PA-LA [2,52]); P.N. Swift, SNL (igneous disruption analysis for PA-SR [49] and overall analysis for PA-LA [51]); S. Mishra (sensitivity analysis for PA-95 [18], PA-VA [19] and PA-SR); J.C. Helton, ASU (sensitivity analysis of PA-LA [2, Appendices J and K]); C.J. Sallaberry, SNL (sensitivity analysis of PA-LA [32,54]); C.W. Hansen, SNL (sensitivity analysis of PA-IA [32]); and P. Mattie, SNL (performance margin analysis). Some of the contributors and managers to the development of the PA that facilitated analysis of the results are also acknowledged in a companion paper [5]. Because so many scientists and engineers were involved in the analysis of results at YMP, the author recognizes that this list is unavoidably incomplete and apologizes for omissions and oversights. NR 50 TC 1 Z9 1 U1 1 U2 14 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 207 EP 222 DI 10.1016/j.ress.2013.06.030 PG 16 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800011 ER PT J AU Helton, JC Hansen, CW Sallaberry, CJ AF Helton, J. C. Hansen, C. W. Sallaberry, C. J. TI Conceptual structure and computational organization of the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Aleatory uncertainty; Epistemic uncertainty; Expected dose; Performance assessment; Radioactive waste disposal; Uncertainty analysis; Yucca Mountain ID ISOLATION PILOT-PLANT; PROBABILISTIC RISK ASSESSMENTS; NUCLEAR-WASTE; SENSITIVITY-ANALYSIS; COMPLEX-SYSTEMS; SUBJECTIVE UNCERTAINTY; GEOLOGICAL DISPOSAL; DEPENDABLE SYSTEMS; MODELS; PROPAGATION AB Extensive work has been carried out by the U.S. Department of Energy (DOE) in the development of a proposed geologic repository at Yucca Mountain (YM), Nevada, for the disposal of high-level radioactive waste. This presentation describes the overall conceptual structure and computational organization of the 2008 performance assessment (PA) for the proposed YM repository carried out by the DOE in support of a licensing application to the U.S. Nuclear Regulatory Commission (NRC). The following topics are addressed: (i) regulatory background, (ii) the three basic entities underlying a PA, (iii) determination of expected, mean and median dose to the reasonably maximally exposed individual (RMEI) specified in the NRC regulations for the YM repository, (iv) the relationship between probability, sets and scenario classes, (v) scenario classes and the characterization of aleatory uncertainty, (vi) scenario classes and the determination of expected dose to the RMEI, (vii) analysis decomposition, (viii) disjoint and nondisjoint scenario classes, (ix) scenario classes and the NRC's YM review plan, (x) characterization of epistemic uncertainty, and (xi) adequacy of Latin hypercube sample size used in the propagation of epistemic uncertainty. This article is part of a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA and is intended as an introduction to following articles in the issue that provide additional analysis details and specific analysis results. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Helton, J. C.; Hansen, C. W.; Sallaberry, C. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Helton, JC (reprint author), Sandia Natl Labs, Dept 1514, POB 5800, Albuquerque, NM 87185 USA. EM jchelto@sandia.gov RI ming-jui, chang/F-9294-2015 FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 94 TC 5 Z9 5 U1 5 U2 20 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 223 EP 248 DI 10.1016/j.ress.2013.06.010 PG 26 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800012 ER PT J AU Hansen, CW Birkholzer, JT Blink, J Bryan, CR Chen, Y Gross, MB Hardin, E Houseworth, J Howard, R Jarek, R Lee, KP Lester, B Mariner, P Mattie, PD Mehta, S Perry, FV Robinson, B Sassani, D Sevougian, SD Stein, JS Wasiolek, M AF Hansen, C. W. Birkholzer, J. T. Blink, J. Bryan, C. R. Chen, Y. Gross, M. B. Hardin, E. Houseworth, J. Howard, R. Jarek, R. Lee, K. P. Lester, B. Mariner, P. Mattie, P. D. Mehta, S. Perry, F. V. Robinson, B. Sassani, D. Sevougian, S. D. Stein, J. S. Wasiolek, M. TI Overview of total system model used for the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Performance assessment; Radioactive waste disposal; Total system model; Uncertainty analysis; Yucca Mountain ID FRACTURED ROCK; UNSATURATED FLOW; TRANSPORT; SEEPAGE; DRIFTS AB A summary is presented for the total system model used to represent physical processes associated with the seven scenario classes (i.e., nominal conditions, early waste package (WP) failure, early drip shield (DS) failure, igneous intrusive events, igneous eruptive events, seismic ground motion events and seismic fault displacement events) considered in the 2008 performance assessment for the proposed repository for high-level radioactive waste at Yucca Mountain, Nevada. The total system model estimates dose to an exposed individual resulting from radionuclide movement through the repository system and biosphere. Components of the total system model described in this presentation include models for (i) climate analysis, (ii) land surface infiltration and associated unsaturated zone flow, (iii) multi-scale thermal hydrology and engineered barrier system (EBS) thermal-hydrologic environment, (iv) EBS physical and chemical environment, (v) WP and DS degradation, (vi) drift seepage and drift wall condensation, (vii) waste form degradation and mobilization, (viii) water and radionuclide movement in the EBS and underlying unsaturated and saturated zones, (ix) radionuclide movement in the biosphere and resultant human exposure, and (x) processes specific to early WP and DS failures, intrusive and eruptive igneous events, and seismic ground motion and fault displacement events. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Hansen, C. W.; Bryan, C. R.; Hardin, E.; Jarek, R.; Mariner, P.; Mattie, P. D.; Sassani, D.; Sevougian, S. D.; Stein, J. S.; Wasiolek, M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Birkholzer, J. T.; Houseworth, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Blink, J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Chen, Y.] Navarrointera LLC, Las Vegas, NV 89031 USA. [Gross, M. B.] MG Enterprises, San Rafael, CA 94901 USA. [Perry, F. V.; Robinson, B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Howard, R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Lee, K. P.] AREVA Fed Serv, Richland, WA 99354 USA. [Lester, B.] Savannah River Remediat LLC, Aiken, SC 29808 USA. [Mehta, S.] INTERA Inc, Austin, TX 78754 USA. RP Hansen, CW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM cwhanse@sandia.gov RI Birkholzer, Jens/C-6783-2011; Houseworth, James/D-8749-2015 OI Birkholzer, Jens/0000-0002-7989-1912; FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract no. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 51 TC 1 Z9 1 U1 0 U2 21 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 249 EP 266 DI 10.1016/j.ress.2013.06.001 PG 18 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800013 ER PT J AU Helton, JC Hansen, CW Sallaberry, CJ AF Helton, J. C. Hansen, C. W. Sallaberry, C. J. TI Expected dose for the nominal scenario class in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Epistemic uncertainty; Expected dose; Nominal scenario class; Performance assessment; Radioactive waste disposal; Uncertainty analysis; Yucca Mountain AB Extensive work has been carried out by the U.S. Department of Energy (DOE) in the development of a proposed geologic repository at Yucca Mountain (YM), Nevada, for the disposal of high-level radioactive waste. In support of this development and an associated license application to the U.S. Nuclear Regulatory Commission (NRC), the DOE completed an extensive performance assessment (PA) for the proposed YM repository in 2008. This presentation describes the determination of expected (mean) dose to the reasonably maximally exposed individual (RMEI) specified in the NRC regulations for the YM repository for the nominal scenario class (i.e., under nominal or undisturbed conditions) in the 2008 YM PA. The following topics are addressed: (i) properties of the nominal scenario class and the determination of dose and expected (mean) dose to the RMEI, (ii) uncertainty in dose and resultant expected (mean) dose to the RMEI, (iii) expected (mean) dose to the RMEI from individual radionuclides, and (iv) numerical stability of the sampling-based procedure used to estimate the expected (mean) dose to the RMEI. The present paper is part of-a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA; additional papers in the issue describe other aspects of the 2008 YM PA. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Helton, J. C.; Hansen, C. W.; Sallaberry, C. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Helton, JC (reprint author), Sandia Natl Labs, Dept 1514, POB 5800, Albuquerque, NM 87185 USA. EM jchelto@sandia.gov RI ming-jui, chang/F-9294-2015 FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract no. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 4 TC 1 Z9 1 U1 0 U2 2 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 267 EP 271 DI 10.1016/j.ress.2013.06.012 PG 5 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800014 ER PT J AU Hansen, CW Behie, GA Bier, A Brooks, KM Chen, Y Helton, JC Hommel, SP Lee, KP Lester, B Mattie, PD Mehta, S Miller, SP Sallaberry, CJ Sevougian, SD Vo, P AF Hansen, C. W. Behie, G. A. Bier, A. Brooks, K. M. Chen, Y. Helton, J. C. Hommel, S. P. Lee, K. P. Lester, B. Mattie, P. D. Mehta, S. Miller, S. P. Sallaberry, C. J. Sevougian, S. D. Vo, P. TI Uncertainty and sensitivity analysis for the nominal scenario class in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Epistemic uncertainty; Expected dose; Nominal scenario class; Performance assessment; Radioactive waste disposal; Sensitivity analysis; Uncertainty analysis; Yucca Mountain ID PREDICTOR SMOOTHING METHODS; SAMPLING-BASED METHODS AB Extensive work has been carried out by the U.S. Department of Energy (DOE) in the development of a proposed geologic repository at Yucca Mountain (YM), Nevada, for the disposal of high-level radioactive waste. In support of this development and an associated license application to the U.S. Nuclear Regulatory Commission (NRC), the DOE completed an extensive performance assessment (PA) for the proposed YM repository in 2008. This presentation describes uncertainty and sensitivity analysis results for the nominal scenario class (i.e., for undisturbed conditions) obtained in the 2008 YM PA. The following topics are addressed: (i) uncertainty and sensitivity analysis procedures, (ii) drip shield and waste package failure, (iii) engineered barrier system conditions, (iv) radionuclide release results for the engineered barrier system, unsaturated zone, and saturated zone, and (v) dose to the reasonably maximally exposed individual specified in the NRC regulations for the YM repository. The present article is part of a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA; additional articles in the issue describe other aspects of the 2008 YM PA. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Hansen, C. W.; Bier, A.; Helton, J. C.; Mattie, P. D.; Miller, S. P.; Sallaberry, C. J.; Sevougian, S. D.; Vo, P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Behie, G. A.] AREVA Resources Canada Inc, Saskatoon, SK S7K 3X5, Canada. [Brooks, K. M.] Southern Nevada Water Author, Las Vegas, NV 89153 USA. [Chen, Y.] Navarrointera LLC, Las Vegas, NV 89031 USA. [Hommel, S. P.; Lester, B.] Savannah River Remediat LLC, Aiken, SC 29808 USA. [Lee, K. P.] AREVA Fed Serv, Richland, WA 99354 USA. [Mehta, S.] INTERA Inc, Austin, TX 78754 USA. RP Hansen, CW (reprint author), Sandia Natl Labs, Dept 6112, POB 5800, Albuquerque, NM 87185 USA. EM cwhanse@sandia.gov RI ming-jui, chang/F-9294-2015 FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 17 TC 1 Z9 1 U1 6 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 272 EP 296 DI 10.1016/j.ress.2013.06.008 PG 25 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800015 ER PT J AU Helton, JC Hansen, CW Sallaberry, CJ AF Helton, J. C. Hansen, C. W. Sallaberry, C. J. TI Expected dose for the early failure scenario classes in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Aleatory uncertainty; Epistemic uncertainty; Expected dose; Early drip shield failure; Early waste package failure; Radioactive waste disposal; Uncertainty analysis; Yucca Mountain AB Extensive work has been carried out by the U.S. Department of Energy (DOE) in the development of a proposed geologic repository at Yucca Mountain (YM), Nevada, for the disposal of high-level radioactive waste. In support of this development and an associated license application to the U.S. Nuclear Regulatory Commission (NRC), the DOE completed an extensive performance assessment (PA) for the proposed YM repository in 2008. This presentation describes the determination of expected dose to the reasonably maximally exposed individual (RMEI) specified in the NRC regulations for the YM repository for the early waste package (WP) failure scenario class and the early drip shield (DS) failure scenario class in the 2008 YM PA. The following topics are addressed: (i) properties of the early failure scenario classes and the determination of dose and expected dose the RMEI, (ii) expected dose and uncertainty in expected dose to the RMEI from the early WP failure scenario class, (iii) expected dose and uncertainty in expected dose to the RMEI from the early DS failure scenario class, (iv) expected dose and uncertainty in expected dose to the RMEI from the combined early WP and early DS failure scenario class with and without the inclusion of failures resulting from nominal processes, and (v) uncertainty in the occurrence of early failure scenario classes. The present article is part of a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA; additional articles in the issue describe other aspects of the 2008 YM PA. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Helton, J. C.; Hansen, C. W.; Sallaberry, C. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Helton, JC (reprint author), Sandia Natl Labs, Dept 1514, POB 5800, Albuquerque, NM 87185 USA. EM jchelto@sandia.gov RI ming-jui, chang/F-9294-2015 FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract no. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 6 TC 1 Z9 1 U1 1 U2 4 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 297 EP 309 DI 10.1016/j.ress.2013.06.013 PG 13 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800016 ER PT J AU Hansen, CW Behie, GA Bier, A Brooks, KM Chen, Y Helton, JC Hommel, SP Lee, KP Lester, B Mattie, PD Mehta, S Miller, SP Sallaberry, CJ Sevougian, SD Vo, P AF Hansen, C. W. Behie, G. A. Bier, A. Brooks, K. M. Chen, Y. Helton, J. C. Hommel, S. P. Lee, K. P. Lester, B. Mattie, P. D. Mehta, S. Miller, S. P. Sallaberry, C. J. Sevougian, S. D. Vo, P. TI Uncertainty and sensitivity analysis for the early failure scenario classes in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Early drip shield failure; Early failure scenario classes; Early waste package failure; Performance assessment; Radioactive waste disposal; Sensitivity analysis; Uncertainty analysis; Yucca Mountain ID SAMPLING-BASED METHODS AB Extensive work has been carried out by the U.S. Department of Energy (DOE) in the development of a proposed geologic repository at Yucca Mountain (YM), Nevada, for the disposal of high-level radioactive waste. In support of this development and an associated license application to the U.S. Nuclear Regulatory Commission (NRC), the DOE completed an extensive performance assessment (PA) for the proposed YM repository in 2008. This presentation describes uncertainty and sensitivity analysis results for the early waste package failure scenario class and the early drip shield failure scenario class obtained in the 2008 YM PA. The following topics are addressed: (i) engineered barrier system conditions, (ii) release results for the engineered barrier system, unsaturated zone, and saturated zone, (iii) dose to the reasonably maximally exposed individual (RMEI) specified in the NRC regulations for the YM repository, and (iv) expected dose to the RMEI. The present article is part of a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA; additional articles in the issue describe other aspects of the 2008 YM PA. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Hansen, C. W.; Bier, A.; Helton, J. C.; Mattie, P. D.; Miller, S. P.; Sallaberry, C. J.; Sevougian, S. D.; Vo, P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Behie, G. A.] AREVA Resources Canada Inc, Saskatoon, SK S7K 3X5, Canada. [Brooks, K. M.] Southern Nevada Water Author, Las Vegas, NV 89153 USA. [Chen, Y.] Navarrointera LLC, Las Vegas, NV 89031 USA. [Hommel, S. P.; Lester, B.] Savannah River Remediat LLC, Aiken, SC 29808 USA. [Lee, K. P.] AREVA Fed Serv, Richland, WA 99354 USA. [Mehta, S.] INTERA Inc, Austin, TX 78754 USA. RP Hansen, CW (reprint author), Sandia Natl Labs, Dept 6112, POB 5800, Albuquerque, NM 87185 USA. EM cwhanse@sandia.gov RI ming-jui, chang/F-9294-2015 FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract no. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 25 TC 0 Z9 0 U1 1 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 310 EP 338 DI 10.1016/j.ress.2013.06.029 PG 29 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800017 ER PT J AU Sallaberry, CJ Hansen, CW Helton, JC AF Sallaberry, C. J. Hansen, C. W. Helton, J. C. TI Expected dose for the igneous scenario classes in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Aleatory uncertainty; Epistemic uncertainty; Expected dose; Igneous eruptive scenario class; Igneous intrusive scenario class; Radioactive waste disposal; Uncertainty analysis; Yucca Mountain AB Extensive work has been carried out by the U.S. Department of Energy (DOE) in the development of a proposed geologic repository at Yucca Mountain (YM), Nevada, for the disposal of high-level radioactive waste. In support of this development and an associated license application to the U.S. Nuclear Regulatory Commission (NRC), the DOE completed an extensive performance assessment (PA) for the proposed YM repository in 2008. This presentation describes the determination of expected dose to the reasonably maximally exposed individual (RMEI) specified in the NRC regulations for the YM repository for the igneous intrusive scenario class and the igneous eruptive scenario class in the 2008 YM PA. The following topics are addressed: (i) properties of the igneous scenario classes and the determination of dose and expected dose to the RMEI, (ii) expected dose and uncertainty in expected dose to the RMEI from the igneous intrusive scenario class, (iii) expected dose and uncertainty in expected dose to the RMEI from the igneous eruptive scenario class, (iv) expected dose and uncertainty in expected dose to the RMEI from the combined igneous intrusive and igneous eruptive scenario class, and (v) uncertainty in the occurrence of igneous scenario classes. The present article is part of a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA; additional articles in the issue describe other aspects of the (C) 2008 YM PA. Published by Elsevier Ltd. C1 [Sallaberry, C. J.; Hansen, C. W.; Helton, J. C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sallaberry, CJ (reprint author), Sandia Natl Labs, Dept 6224, POB 5800, Albuquerque, NM 87185 USA. EM cnsalla@sandia.gov RI ming-jui, chang/F-9294-2015 FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract no. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 8 TC 2 Z9 2 U1 0 U2 2 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 339 EP 353 DI 10.1016/j.ress.2013.06.011 PG 15 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800018 ER PT J AU Sallaberry, CJ Behie, GA Bier, A Brooks, KM Chen, Y Hansen, CW Helton, JC Hommel, SP Lee, KP Lester, B Mattie, PD Mehta, S Miller, SP Sevougian, SD Vo, P AF Sallaberry, C. J. Behie, G. A. Bier, A. Brooks, K. M. Chen, Y. Hansen, C. W. Helton, J. C. Hommel, S. P. Lee, K. P. Lester, B. Mattie, P. D. Mehta, S. Miller, S. P. Sevougian, S. D. Vo, P. TI Uncertainty and sensitivity analysis for the igneous scenario classes in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Epistemic uncertainty; Expected dose; Igneous eruptive scenario class; Igneous intrusive scenario class; Radioactive waste disposal; Sensitivity analysis; Uncertainty analysis; Yucca Mountain ID SAMPLING-BASED METHODS AB Extensive work has been carried out by the U.S. Department of Energy (DOE) in the development of a proposed geologic repository at Yucca Mountain (YM), Nevada, for the disposal of high-level radioactive waste. In support of this development and an associated license application to the U.S. Nuclear Regulatory Commission (NRC), the DOE completed an extensive performance assessment (PA) for the proposed YM repository in 2008. This presentation describes uncertainty and sensitivity analysis results for the igneous intrusive scenario class and the igneous eruptive scenario class obtained in the 2008 YM PA. The following topics are addressed for the igneous intrusive scenario class: (i) engineered barrier system conditions, (ii) release results for the engineered barrier system, unsaturated zone, and saturated zone, (iii) dose to the reasonably maximally exposed individual (RMEI) specified in the NRC regulations for the YM repository, and (iv) expected dose to the RMEI. In addition, expected dose to the RMEI for the igneous eruptive scenario class is also considered. The present article is part of a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA; additional articles in the issue describe other aspects of the (C) 2008 YM PA. Published by Elsevier Ltd. C1 [Sallaberry, C. J.; Bier, A.; Hansen, C. W.; Helton, J. C.; Mattie, P. D.; Miller, S. P.; Sevougian, S. D.; Vo, P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Behie, G. A.] AREVA Resources Canada Inc, Saskatoon, SK S7K 3X5, Canada. [Brooks, K. M.] Southern Nevada Water Author, Las Vegas, NV 89153 USA. [Chen, Y.] Navarrointera LLC, Las Vegas, NV 89031 USA. [Hommel, S. P.; Lester, B.] Savannah River Remediat LLC, Aiken, SC 29808 USA. [Lee, K. P.] AREVA Fed Serv, Richland, WA 99354 USA. [Mehta, S.] INTERA Inc, Austin, TX 78754 USA. RP Sallaberry, CJ (reprint author), Sandia Natl Labs, Dept 6224, POB 5800, Albuquerque, NM 87185 USA. EM cnsalla@sandia.gov RI ming-jui, chang/F-9294-2015 FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 14 TC 1 Z9 1 U1 1 U2 7 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 354 EP 379 DI 10.1016/j.ress.2013.06.017 PG 26 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800019 ER PT J AU Helton, JC Gross, MG Hansen, CW Sallaberry, CJ Sevougian, SD AF Helton, J. C. Gross, M. G. Hansen, C. W. Sallaberry, C. J. Sevougian, S. D. TI Expected dose for the seismic scenario classes in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Aleatory uncertainty; Epistemic uncertainty; Expected dose; Seismic fault displacement scenario class; Seismic ground motion scenario class; Radioactive waste disposal; Uncertainty analysis; Yucca Mountain AB Extensive work has been carried out by the U.S. Department of Energy (DOE) in the development of a proposed geologic repository at Yucca Mountain (YM), Nevada, for the disposal of high-level radioactive waste. In support of this development and an associated license application to the U.S. Nuclear Regulatory Commission (NRC), the DOE completed an extensive performance assessment (PA) for the proposed YM repository in 2008. This presentation describes the determination of expected dose to the reasonably maximally exposed individual (RMEI) specified in the NRC regulations for the YM repository for the seismic ground motion scenario class and the seismic fault displacement scenario class in the 2008 YM PA. The following topics are addressed: (i) definition of the seismic scenario classes and the determination of dose and expected dose to the RMEI, (ii) properties of the seismic ground motion scenario class, (iii) expected dose and uncertainty in expected dose to the RMEI for the seismic ground motion scenario class from 0 to 20,000 yr, (iv) expected dose and uncertainty in expected dose to the RMEI for the seismic ground motion scenario class from 0 to 10(6) yr, (v) properties of the seismic fault displacement scenario class including expected dose and uncertainty in expected dose to the RMEI from 0 to 20,000 yr and 0 to 10(6) yr, (vi) expected dose and uncertainty in expected dose to the RMEI for the combined ground motion and seismic fault displacement scenario class, and (vii) probabilities associated with seismic scenario classes. The present article is part of a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA; additional articles in the issue describe other aspects of the 2008 TM PA. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Helton, J. C.; Hansen, C. W.; Sallaberry, C. J.; Sevougian, S. D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Gross, M. G.] MG Enterprises, San Rafael, CA 94901 USA. RP Helton, JC (reprint author), Sandia Natl Labs, Dept 1514, POB 5800, Albuquerque, NM 87185 USA. EM jchelto@sandia.gov RI ming-jui, chang/F-9294-2015 FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 10 TC 2 Z9 2 U1 0 U2 3 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 380 EP 398 DI 10.1016/j.ress.2013.06.015 PG 19 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800020 ER PT J AU Helton, JC Gross, MG Sallaberry, CJ AF Helton, J. C. Gross, M. G. Sallaberry, C. J. TI Representation of aleatory uncertainty associated with the seismic ground motion scenario class in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Aleatory uncertainty; Epistemic uncertainty; Seismic ground motion scenario class; Performance assessment; Radioactive waste disposal; Uncertainty analysis; Yucca Mountain AB The representation of aleatory uncertainty associated with the seismic ground motion scenario class in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada, is described. The following topics are considered: (i) occurrence rates for waste package (WP) damage, (ii) conditional distributions for peak ground velocity, (iii) conditional distributions for damaged area on WPs, (iv) distribution of rock fall volume, and (v) probability of WP rupture. Separate results are obtained for commercial spent nuclear fuel and codisposed spent nuclear fuel WPs. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Helton, J. C.; Sallaberry, C. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Gross, M. G.] MG Enterprises, San Rafael, CA 94901 USA. RP Helton, JC (reprint author), Sandia Natl Labs, Dept 1514, POB 5800, Albuquerque, NM 87185 USA. EM jchelto@sandia.gov RI ming-jui, chang/F-9294-2015 FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract no. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 6 TC 0 Z9 0 U1 1 U2 2 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 399 EP 405 DI 10.1016/j.ress.2013.06.003 PG 7 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800021 ER PT J AU Hansen, CW Behie, GA Bier, A Brooks, KM Chen, Y Helton, JC Hommel, SP Lee, KP Lester, B Mattie, PD Mehta, S Miller, SP Sallaberry, CJ Sevougian, SD Vo, P AF Hansen, C. W. Behie, G. A. Bier, A. Brooks, K. M. Chen, Y. Helton, J. C. Hommel, S. P. Lee, K. P. Lester, B. Mattie, P. D. Mehta, S. Miller, S. P. Sallaberry, C. J. Sevougian, S. D. Vo, P. TI Uncertainty and sensitivity analysis for the seismic scenario classes in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Expected dose; Seismic ground motion scenario class; Seismic fault displacement scenario class; Performance assessment; Radioactive waste disposal; Sensitivity analysis; Uncertainty analysis; Yucca Mountain ID SAMPLING-BASED METHODS AB Extensive work has been carried out by the US Department of Energy (DOE) in the development of a proposed geologic repository at Yucca Mountain (YM), Nevada, for the disposal of high-level radioactive waste. In support of this development and an associated license application to the US Nuclear Regulatory Commission (NRC), the DOE completed an extensive performance assessment (PA) for the proposed YM repository in 2008. This presentation describes uncertainty and sensitivity analysis results for the seismic ground motion scenario class and the seismic fault displacement scenario class obtained in the 2008 YM PA. The following topics are addressed for the seismic ground motion scenario class: (i) engineered barrier system conditions; (ii) release results for the engineered barrier system, unsaturated zone, and saturated zone; (iii) dose to the reasonably maximally exposed individual (RMEI) specified in the NRC regulations for the YM repository; and (iv) expected dose to the RMEI. In addition, expected dose to the RMEI for the seismic fault displacement scenario class is also considered. The present article is the part of a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA; additional articles in the issue describe other aspects of the 2008 YM PA. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Hansen, C. W.; Bier, A.; Helton, J. C.; Mattie, P. D.; Miller, S. P.; Sallaberry, C. J.; Sevougian, S. D.; Vo, P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Behie, G. A.] AREVA Resources Canada Inc, Saskatoon, SK S7K 3X5, Canada. [Brooks, K. M.] Southern Nevada Water Author, Las Vegas, NV 89153 USA. [Chen, Y.] Navarrointera LLC, Las Vegas, NV 89031 USA. [Hommel, S. P.; Lester, B.] Savannah River Remediat LLC, Aiken, SC 29808 USA. [Lee, K. P.] AREVA Fed Serv, Richland, WA 99354 USA. [Mehta, S.] INTERA Inc, Austin, TX 78754 USA. RP Hansen, CW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM cwhanse@sandia.gov RI ming-jui, chang/F-9294-2015 FU US Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US Department of Energy's (DOE's) National Nuclear Security Administration under Contract no. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 13 TC 1 Z9 1 U1 1 U2 4 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 406 EP 420 DI 10.1016/j.ress.2013.06.002 PG 15 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800022 ER PT J AU Helton, JC Hansen, CW Sallaberry, CJ AF Helton, J. C. Hansen, C. W. Sallaberry, C. J. TI Expected dose and associated uncertainty and sensitivity analysis results for all scenario classes in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE All scenario classes; Epistemic uncertainty; Expected dose; Performance assessment; Radioactive waste disposal; Sensitivity analysis; Uncertainty analysis; Yucca Mountain ID SAMPLING-BASED METHODS AB Extensive work has been carried out by the U.S. Department of Energy (DOE) in the development of a proposed geologic repository at Yucca Mountain (YM), Nevada, for the disposal of high-level radioactive waste. In support of this development and an associated license application to the U.S. Nuclear Regulatory Commission (NRC), the DOE completed an extensive performance assessment (PA) for the proposed YM repository in 2008. The conceptual structure and organization of the 2008 YM PA is based on decomposing the analysis into the following scenario classes: nominal, early waste package failure, early drip shield failure, igneous intrusive, igneous eruptive, seismic ground motion, and seismic fault displacement. This presentation describes how results obtained for the individual scenario classes are brought together in the determination of expected dose to the reasonably maximally exposed individual (RMEI) specified by the NRC in the regulatory requirements for the YM repository and presents associated uncertainty and sensitivity analysis results. The following topics are addressed: (i) determination of expected dose to the RMEI from all scenario classes, (ii) expected dose and uncertainty in expected dose to the RMEI for 0 to 20,000 yr, (iii) expected dose and uncertainty in expected dose to the RMEI from for 0 to 10(6) yr, (iv) justification for the decomposition procedure used to estimate expected dose to the RMEI from all scenario classes, and (v) effectiveness of individual barrier systems in reducing releases from the repository and thus dose to the RMEI. The present article is part of a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA; additional articles in the issue describe other aspects of the 2008 YM PA. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Helton, J. C.; Hansen, C. W.; Sallaberry, C. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Helton, JC (reprint author), Sandia Natl Labs, Dept 1514, POB 5800, Albuquerque, NM 87185 USA. EM jchelto@sandia.gov RI ming-jui, chang/F-9294-2015 FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract no. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 15 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 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 421 EP 435 DI 10.1016/j.ress.2013.06.016 PG 15 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800023 ER PT J AU Hansen, CW Behie, GA Brooks, KM Chen, Y Helton, JC Hommel, SP Lee, KP Lester, B Mattie, PD Mehta, S Miller, SP Sallaberry, CJ Sevougian, SD AF Hansen, C. W. Behie, G. A. Brooks, K. M. Chen, Y. Helton, J. C. Hommel, S. P. Lee, K. P. Lester, B. Mattie, P. D. Mehta, S. Miller, S. P. Sallaberry, C. J. Sevougian, S. D. TI Expected dose and associated uncertainty and sensitivity analysis results for the human intrusion scenario in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Epistemic uncertainty; Expected dose; Human intrusion; Performance assessment; Radioactive waste disposal; Sensitivity analysis; Uncertainty analysis; Yucca Mountain AB Extensive work has been carried out by the U.S. Department of Energy (DOE) in the development of a proposed geologic repository at Yucca Mountain (YM), Nevada, for the disposal of high-level radioactive waste. In support of this development and an associated license application to the U.S. Nuclear Regulatory Commission (NRC), the DOE completed an extensive performance assessment (PA) for the proposed YM repository in 2008. This presentation describes the determination of expected (mean) dose to the reasonably maximally exposed individual (RMEI) specified in the NRC regulations for the YM repository resulting from an inadvertent drilling intrusion into the repository. The following topics are addressed: (i) assumed properties of an inadvertent drilling intrusion and the determination of the associated dose and expected (mean) dose to the RMEI, (ii) uncertainty and sensitivity analysis results for expected dose to the RMEI, and (iii) the numerical stability of the sampling-based procedure used to estimate expected (mean) dose to the RMEI. The present article is part of a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA; additional articles in the issue describe other aspects of the 2008 YM PA. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Hansen, C. W.; Helton, J. C.; Mattie, P. D.; Miller, S. P.; Sallaberry, C. J.; Sevougian, S. D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Behie, G. A.] AREVA Resources Canada Inc, Saskatoon, SK S7K 3X5, Canada. [Brooks, K. M.] Southern Nevada Water Author, Las Vegas, NV 89153 USA. [Chen, Y.] Navarrointera LLC, Las Vegas, NV 89031 USA. [Hommel, S. P.; Lester, B.] Savannah River Remediat LLC, Aiken, SC 29808 USA. [Lee, K. P.] AREVA Fed Serv, Richland, WA 99354 USA. [Mehta, S.] INTERA Inc, Austin, TX 78754 USA. RP Hansen, CW (reprint author), Sandia Natl Labs, Dept 6112, POB 5800, Albuquerque, NM 87185 USA. EM cwhanse@sandia.gov RI ming-jui, chang/F-9294-2015 FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 5 TC 0 Z9 0 U1 1 U2 4 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 436 EP 441 DI 10.1016/j.ress.2013.06.023 PG 6 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800024 ER PT J AU Hansen, CW Behie, GA Brooks, KM Chen, Y Helton, JC Hommel, SP Lee, KP Lester, B Mattie, PD Mehta, S Miller, SP Sallaberry, CJ Sevougian, SD Wasiolek, M AF Hansen, C. W. Behie, G. A. Brooks, K. M. Chen, Y. Helton, J. C. Hommel, S. P. Lee, K. P. Lester, B. Mattie, P. D. Mehta, S. Miller, S. P. Sallaberry, C. J. Sevougian, S. D. Wasiolek, M. TI Assessment of compliance with ground water protection standards in the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Epistemic uncertainty; Ground water protection; Performance assessment; Radioactive waste disposal; Sensitivity analysis; Uncertainty analysis; Yucca Mountain AB Extensive work has been carried out by the U.S. Department of Energy (DOE) in the development of a proposed geologic repository at Yucca Mountain (YM), Nevada, for the disposal of high-level radioactive waste. In support of this development and an associated license application to the U.S. Nuclear Regulatory Commission (NRC), the DOE completed an extensive performance assessment (PA) for the proposed YM repository in 2008. This presentation describes the assessment of compliance with ground water protection standards in the 2008 YM PA. The following topics are addressed: (i) regulatory background, (ii) analysis structure including characterization of uncertainty, and (iii) analysis results for each of the ground water protection standards. The present article is part of a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA; additional articles in the issue describe other aspects of the 2008 YM PA. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Hansen, C. W.; Helton, J. C.; Mattie, P. D.; Miller, S. P.; Sallaberry, C. J.; Sevougian, S. D.; Wasiolek, M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Behie, G. A.] AREVA Resources Canada Inc, Saskatoon, SK S7K 3X5, Canada. [Brooks, K. M.] Southern Nevada Water Author, Las Vegas, NV 89153 USA. [Chen, Y.] Navarrointera LLC, Las Vegas, NV 89031 USA. [Hommel, S. P.; Lester, B.] Savannah River Remediat LLC, Aiken, SC 29808 USA. [Lee, K. P.] AREVA Fed Serv, Richland, WA 99354 USA. [Mehta, S.] INTERA Inc, Austin, TX 78754 USA. RP Hansen, CW (reprint author), Sandia Natl Labs, Dept 6112, POB 5800, Albuquerque, NM 87185 USA. EM cwhanse@sandia.gov RI ming-jui, chang/F-9294-2015 FU U.S. Department of Energy's (DOE's) National Nuclear Security Administration [DE-AC04-94AL85000] FX Work performed at Sandia National Laboratories (SNL), which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's (DOE's) National Nuclear Security Administration under Contract no. DE-AC04-94AL85000. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the DOE or SNL. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this article, or allow others to do so, for United States Government purposes. NR 9 TC 0 Z9 0 U1 1 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 442 EP 448 DI 10.1016/j.ress.2013.06.024 PG 7 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800025 ER PT J AU Swift, PN Hansen, CW Helton, JC Howard, RL Knowles, MK MacKinnon, RJ McNeish, JA Sevougian, SD AF Swift, Peter N. Hansen, Clifford W. Helton, Jon C. Howard, Robert L. Knowles, M. Kathryn MacKinnon, Robert J. McNeish, Jerry A. Sevougian, S. David TI Summary discussion of the 2008 performance assessment for the proposed high-level radioactive waste repository at Yucca Mountain, Nevada SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE Performance assessment; Radioactive waste disposal; Yucca Mountain; Regulatory standards ID UNCERTAINTY AB A deep geologic repository at Yucca Mountain (YM), Nevada, for the disposal of spent nuclear fuel and high-level radioactive waste was proposed by the U.S. Department of Energy (DOE). This paper summarizes the historical development of the 2008 YM performance assessment (PA), and explains how the methods and results of the 2008 PA address regulatory requirements specified by the United States Environmental Protection Agency (EPA) and the United States Nuclear Regulatory Commission (NRC). Topics covered include (i) screening of features, events and processes, (ii) development of scenario classes, (iii) descriptions of barrier capability, and (iv) compliance with applicable quantitative standards for individual protection, individual protection following human intrusion, and ground water protection. This article is part of a special issue of Reliability Engineering and System Safety devoted to the 2008 YM PA and provides a brief summary of information presented in detail in multiple articles in this issue and interprets the results in the context of applicable EPA and NRC regulations. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Swift, Peter N.; Hansen, Clifford W.; Helton, Jon C.; Knowles, M. Kathryn; MacKinnon, Robert J.; McNeish, Jerry A.; Sevougian, S. David] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Howard, Robert L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Swift, PN (reprint author), Sandia Natl Labs, Dept 6220, POB 5800, Albuquerque, NM 87185 USA. EM pnswift@sandia.gov FU U.S. Department of Energy [DE-AC04-94AL85000] FX The authors thank the many hundreds of people whose work over more than two decades has contributed to this analysis. Portions of this manuscript have been adapted from a paper originally prepared for the 2008 International High-Level Radioactive Waste Management Conference in Las Vegas, Nevada [59]. It has been authored by Sandia National Laboratories under Contract DE-AC04-94AL85000 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, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The statements expressed in this article are those of the authors and do not necessarily reflect the views or policies of the United States Department of Energy or Sandia National Laboratories. NR 34 TC 0 Z9 0 U1 3 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD FEB PY 2014 VL 122 SI SI BP 449 EP 456 DI 10.1016/j.ress.2013.06.009 PG 8 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 260BU UT WOS:000327570800026 ER PT J AU Demcenko, A Koissin, V Korneev, VA AF Demcenko, A. Koissin, V. Korneev, V. A. TI Noncollinear wave mixing for measurement of dynamic processes in polymers: Physical ageing in thermoplastics and epoxy cure SO ULTRASONICS LA English DT Article DE Non-linear ultrasonics; Physical ageing; Epoxy cure; Rheometry ID NONLINEAR ULTRASONIC-DETECTION; ELASTIC-WAVES; HARMONIC GENERATION; MICROWAVE PHONONS; RESIN; CRYSTAL; SHEAR; COMPRESSION; DEPENDENCE; ALUMINUM AB Elastic wave mixing using an immersion method has shown effective monitoring and scanning capabilities when applied to thermoplastic ageing, epoxy curing, and non-destructive testing. In water, excitation and reception of waves do not require physical contact between the tools and the specimen, making the acquisition of high-resolution C-scans possible. The nonlinear material parameters exhibit a much higher sensitivity to the specimen state compared to linear ones. Thus, the nonlinear data for polymethyl methacrylate (PMMA) have a 40% difference between zones of "young" and "aged" material, while the linear data show no difference at all. Methodology and logistics of the immersion wave-mixing method are discussed in detail. Monitoring of epoxy curing has also revealed a good sensitivity of the method to this complex process including several characteristic stages, such as the time of maximal viscosity, the gel time, and the vitrification time. These stages are independently verified in separate rheometry measurements. The presented method allows for a number of possibilities: wave-mode and frequency separations, elimination of surrounding medium influence, "steering" (scanning) a scattered wave, controlling the location of the intersection volume, single-sided or double-sided measurements, and operation in detector mode. (C) 2013 Elsevier B.V. All rights reserved. C1 [Demcenko, A.; Koissin, V.] Univ Twente, Fac Engn Technol, NL-7500 AE Enschede, Netherlands. [Korneev, V. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Demcenko, A (reprint author), Univ Twente, Fac Engn Technol, POB 217, NL-7500 AE Enschede, Netherlands. EM andriejus.demcenko@gmail.com OI Koissin, Vitaly/0000-0001-9639-6537 FU Dutch Ministry of Economic Affairs [IWA-08019]; Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was performed partially in collaboration with Vitens and ApplusRTD, within the 'Innowator' project IWA-08019, as funded by the Dutch Ministry of Economic Affairs by means of Agentschap NL. This support is gratefully acknowledged. This work was also supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 38 TC 8 Z9 10 U1 1 U2 33 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0041-624X EI 1874-9968 J9 ULTRASONICS JI Ultrasonics PD FEB PY 2014 VL 54 IS 2 BP 684 EP 693 DI 10.1016/j.ultras.2013.09.011 PG 10 WC Acoustics; Radiology, Nuclear Medicine & Medical Imaging SC Acoustics; Radiology, Nuclear Medicine & Medical Imaging GA 251OI UT WOS:000326938900031 PM 24094687 ER PT J AU Zhou, X Hong, TZ Yan, D AF Zhou, Xin Hong, Tianzhen Yan, Da TI Comparison of HVAC system modeling in EnergyPlus, DeST and DOE-2.1E SO BUILDING SIMULATION LA English DT Article DE building energy modeling programs; comparative tests; DeST; DOE-2.1E; EnergyPlus; HVAC; system modeling AB Building energy modeling programs (BEMPs) are effective tools for evaluating the energy savings potential of building technologies and optimizing building design. However, large discrepancies in simulated results from different BEMPs have raised wide concern. Therefore, it is strongly needed to identify, understand, and quantify the main elements that contribute towards the discrepancies in simulation results. ASHRAE Standard 140 provides methods and test cases for building thermal load simulations. This article describes a new process with various methods to look inside and outside the HVAC models of three BEMPs-EnergyPlus, DeST, and DOE-2.1E-and compare them in depth to ascertain their similarities and differences. The article summarizes methodologies, processes, and the main modeling assumptions of the three BEMPs in HVAC calculations. Test cases of energy models are designed to capture and analyze the calculation process in detail. The main findings are: (1) the three BEMPs are capable of simulating conventional HVAC systems, (2) matching user inputs is key to reducing discrepancies in simulation results, (3) different HVAC models can be used and sometimes there is no way to directly map between them, and (4) different HVAC control strategies are often used in different BEMPs, which is a driving factor of some major discrepancies in simulation results from various BEMPs. The findings of this article shed some light on how to compare HVAC calculations and how to control key factors in order to obtain consistent results from various BEMPs. This directly serves building energy modelers and policy makers in selecting BEMPs for building design, retrofit, code development, code compliance, and performance ratings. C1 [Zhou, Xin; Yan, Da] Tsinghua Univ, Sch Architecture, Dept Bldg Sci, Beijing 100084, Peoples R China. [Hong, Tianzhen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Yan, D (reprint author), Tsinghua Univ, Sch Architecture, Dept Bldg Sci, Beijing 100084, Peoples R China. EM yanda@tsinghua.edu.cn FU International Science and Technology Cooperation Plan "U.S.-China Clean Energy Research Center for Building Energy Efficiency" [2010DFA72740-02]; "the 12th Five-Year" National Key Technology R&D Program of China [2012BAJ12B03]; Energy Foundation under the China Sustainable Energy Program FX This study is supported by the International Science and Technology Cooperation Plan "U.S.-China Clean Energy Research Center for Building Energy Efficiency" (Grant No. 2010DFA72740-02) and "the 12th Five-Year" National Key Technology R&D Program of China (Grant No. 2012BAJ12B03). It was co-sponsored by the Energy Foundation under the China Sustainable Energy Program. NR 20 TC 4 Z9 4 U1 4 U2 40 PU TSINGHUA UNIV PRESS PI BEIJING PA TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA SN 1996-3599 EI 1996-8744 J9 BUILD SIMUL-CHINA JI Build. Simul. PD FEB PY 2014 VL 7 IS 1 BP 21 EP 33 DI 10.1007/s12273-013-0150-7 PG 13 WC Thermodynamics; Construction & Building Technology SC Thermodynamics; Construction & Building Technology GA 247PP UT WOS:000326631200004 ER PT J AU Ericson, N Frank, S Britton, C Marlino, L Ryu, SH Grider, D Mantooth, A Francis, M Lamichhane, R Mudholkar, M Shepherd, P Glover, M Valle-Mayorga, J McNutt, T Barkley, A Whitaker, B Cole, Z Passmore, B Lostetter, A AF Ericson, Nance Frank, Shane Britton, Chuck Marlino, Laura Ryu, Sei-Hyung Grider, Dave Mantooth, Alan Francis, Matt Lamichhane, Ranjan Mudholkar, Mihir Shepherd, Paul Glover, Michael Valle-Mayorga, Javier McNutt, Ty Barkley, Adam Whitaker, Bret Cole, Zach Passmore, Brandon Lostetter, Alex TI A 4H Silicon Carbide Gate Buffer for Integrated Power Systems SO IEEE TRANSACTIONS ON POWER ELECTRONICS LA English DT Article DE Gate buffer; gate driver; high-temperature electronics; silicon carbide (SiC); 4H-SiC ID CIRCUITS; TECHNOLOGY; DRIVER AB A gate buffer fabricated in a 2-mu m 4H silicon carbide (SiC) process is presented. The circuit is composed of an input buffer stage with a push-pull output stage, and is fabricated using enhancement mode N-channel FETs in a process optimized for SiC power switching devices. Simulation and measurement results of the fabricated gate buffer are presented and compared for operation at various voltage supply levels, with a capacitive load of 2 nF. Details of the design including layout specifics, simulation results, and directions for future improvement of this buffer are presented. In addition, plans for its incorporation into an isolated high-side/low-side gate-driver architecture, fully integrated with power switching devices in a SiC process, are briefly discussed. This letter represents the first reported MOSFET-based gate buffer fabricated in 4H SiC. C1 [Ericson, Nance; Frank, Shane; Britton, Chuck; Marlino, Laura] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Ryu, Sei-Hyung; Grider, Dave] CREE Semicond, Durham, NC 27703 USA. [Mantooth, Alan; Francis, Matt; Lamichhane, Ranjan; Mudholkar, Mihir; Shepherd, Paul; Glover, Michael; Valle-Mayorga, Javier] Univ Arkansas, Fayetteville, AR 72701 USA. [McNutt, Ty; Barkley, Adam; Whitaker, Bret; Cole, Zach; Passmore, Brandon; Lostetter, Alex] Arkansas Power Elect Inc, Fayetteville, AR 72701 USA. RP Ericson, N (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM ericsonmn@ornl.gov; frankss@ornl.gov; brittoncl@ornl.gov; marlinold@ornl.gov; sei-hyung_ryu@cree.com; Dave_Grider@cree.com; mantooth@uark.edu; amfranci@uark.edu; rlamichh@uark.edu; mihir.mudholkar@gmail.com; pshepher@uark.edu; mglover@uark.edu; vallejavier@hotmail.com; tmcnutt@APEI.NET; abarkle@APEI.NET; bwhitak@apei.net; zcole@APEI.NET; bpassmo@APEI.NET; alostet@APEI.NET FU Advanced Research Projects Agency Energy (ARPA-E), U.S. Department of Energy [DE-AR-0000111] FX The information, data, or work presented herein was funded in part by the Advanced Research Projects Agency Energy (ARPA-E), U.S. Department of Energy, under Award Number DE-AR-0000111. Recommended for publication by Associate Editor K. Sheng. NR 12 TC 12 Z9 12 U1 1 U2 38 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8993 J9 IEEE T POWER ELECTR JI IEEE Trans. Power Electron. PD FEB PY 2014 VL 29 IS 2 BP 539 EP 542 DI 10.1109/TPEL.2013.2271906 PG 4 WC Engineering, Electrical & Electronic SC Engineering GA 212ZO UT WOS:000324022500003 ER PT J AU Mei, J Shen, K Xiao, BL Tolbert, LM Zheng, JY AF Mei, Jun Shen, Ke Xiao, Bailu Tolbert, Leon M. Zheng, Jianyong TI A New Selective Loop Bias Mapping Phase Disposition PWM With Dynamic Voltage Balance Capability for Modular Multilevel Converter SO IEEE TRANSACTIONS ON INDUSTRIAL ELECTRONICS LA English DT Article DE Dynamic voltage balance; modular multilevel converter (MMC); phase disposition (PD) pulsewidth modulation (PWM) (PDPWM); selective loop bias mapping (LBM) (SLBM) ID SWITCHING-FREQUENCY; SUPPRESSION AB This paper presents an improved phase disposition pulsewidth modulation (PWM) (PDPWM) for the modular multilevel converter (MMC) which is based on the selective loop bias mapping (SLBM) method. Its main idea is to change the bias of the PDPWM carrier wave cycling according to the balance situation of the system. This new modulation method can operate at symmetric condition to generate an output voltage with as many as 2N + 1 levels, and by SLBM, the voltages of the upper/lower arm capacitors can be well balanced. Compared to carrier phase-shifted PWM, this method is more easily to be realized and has much stronger dynamic regulation ability. Specially, this method has no issues of sorting, which makes it suitable for MMC with a large number of submodules in one leg. With simulation and experiments, the validity of the proposed method has been shown. C1 [Mei, Jun; Zheng, Jianyong] Southeast Univ, Jiangsu Prov Key Lab Smart Grid Technol & Equipme, Sch Elect Engn, Nanjing 210096, Jiangsu, Peoples R China. [Shen, Ke] Harbin Inst Technol, Dept Elect Engn, Harbin 150001, Peoples R China. [Xiao, Bailu; Tolbert, Leon M.] Univ Tennessee, Dept Elect Engn & Comp Sci, Ctr Ultra Wide Area Resilient Elect Energy Transm, Knoxville, TN 37996 USA. [Tolbert, Leon M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Mei, J (reprint author), Southeast Univ, Jiangsu Prov Key Lab Smart Grid Technol & Equipme, Sch Elect Engn, Nanjing 210096, Jiangsu, Peoples R China. EM meijun2000@gmail.com; shenkehit@gmail.com; bxiao@utk.edu; tolbert@utk.edu; jy_zheng@seu.edu.cn OI Tolbert, Leon/0000-0002-7285-609X NR 30 TC 36 Z9 47 U1 0 U2 50 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0278-0046 EI 1557-9948 J9 IEEE T IND ELECTRON JI IEEE Trans. Ind. Electron. PD FEB PY 2014 VL 61 IS 2 BP 798 EP 807 DI 10.1109/TIE.2013.2253069 PG 10 WC Automation & Control Systems; Engineering, Electrical & Electronic; Instruments & Instrumentation SC Automation & Control Systems; Engineering; Instruments & Instrumentation GA 206BV UT WOS:000323492000019 ER PT J AU Jin, HJ Hallstrand, TS Daly, DS Matzke, MM Nair, P Bigelow, DJ Pounds, JG Zangar, RC AF Jin, Hongjun Hallstrand, Teal S. Daly, Don S. Matzke, Melissa M. Nair, Parameswaran Bigelow, Diana J. Pounds, Joel G. Zangar, Richard C. TI A halotyrosine antibody that detects increased protein modifications in asthma patients SO JOURNAL OF IMMUNOLOGICAL METHODS LA English DT Article DE Bromotyrosine; Halotyrosine; Asthma; Eosinophil; Neutrophil; EIB ID EXERCISE-INDUCED BRONCHOCONSTRICTION; AIRWAY INFLAMMATION; INDUCED-SPUTUM; BRONCHOALVEOLAR LAVAGE; EOSINOPHIL PEROXIDASE; BRONCHIAL BIOPSIES; BROMINATED PROTEIN; HYPOBROMOUS ACID; MYELOPEROXIDASE; BUDESONIDE AB Airway inflammation has a pathophysiological role in asthma. Eosinophils, which are commonly increased in asthmatic airways, express eosinophil peroxidase and thereby produce hypobromite and bromotyrosine. Bromotyrosine is believed to be a specific marker for eosinophil activity, but developing an antibody against monobromotyrosine, the predominant brominated tyrosine residue found in vivo has proven difficult. We evaluated whether a 3-bromobenozoic acid hapten antigen produced antibodies that recognized halogenated tyrosine residues. Studies with small-molecule inhibitors or brominated or chlorinated protein suggested that a mouse monoclonal antibody (BTK-94C) selectively bound free and protein mono- and dibromotyrosine and, to a lesser degree, chlorotyrosine, and thus was designated a general halotyrosine antibody. We evaluated if this antibody had potential for characterizing human asthma using an enzyme-linked immunosorbent assay (ELISA) microarray platform to examine the halogenation of 23 proteins in three independent sets of sputum samples (52 samples total). In 15 healthy control or asthmatic subjects, ICAM, PDGF and RANTES had greater proportional amounts of halogenation in asthmatic subjects and the halogenation signal was associated with the severity of exercise-induced airway hyperresponsiveness. In 17 severe asthma patients treated with placebo or mepolizumab to suppress eosinophils, drug-related decreases in halogenation were observed with p values ranging from 0.006 to 0.11 for these 3 proteins. Analysis of 20 subjects that either had neutrophilic asthma or were healthy controls demonstrated a broad increase in halotyrosine (possibly chlorotyrosine) in neutrophilic asthmatics. Overall, these results suggest that an ELISA utilizing BTK-94C could prove useful for assessing airway inflammation in asthma patients. (C) 2013 Elsevier B.V. All rights reserved. C1 [Jin, Hongjun; Daly, Don S.; Matzke, Melissa M.; Bigelow, Diana J.; Pounds, Joel G.; Zangar, Richard C.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Hallstrand, Teal S.] Univ Washington, Dept Med, Seattle, WA USA. [Nair, Parameswaran] McMaster Univ, Dept Med, Hamilton, ON, Canada. RP Zangar, RC (reprint author), Pacific NW Natl Lab, 790 Sixth St J4-02, Richland, WA 99354 USA. EM richard.zangar@pnnl.gov OI Pounds, Joel/0000-0002-6616-1566 FU NHLBI NIH HHS [R01 HL089215]; NIEHS NIH HHS [U54 ES016015] NR 44 TC 1 Z9 1 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-1759 EI 1872-7905 J9 J IMMUNOL METHODS JI J. Immunol. Methods PD JAN 31 PY 2014 VL 403 IS 1-2 BP 17 EP 25 DI 10.1016/j.jim.2013.11.013 PG 9 WC Biochemical Research Methods; Immunology SC Biochemistry & Molecular Biology; Immunology GA AC8VO UT WOS:000332813400003 PM 24295867 ER PT J AU Dhaka, RS Jiang, R Ran, S Bud'ko, SL Canfield, PC Harmon, BN Kaminski, A Tomic, M Valenti, R Lee, YB AF Dhaka, R. S. Jiang, Rui Ran, S. Bud'ko, S. L. Canfield, P. C. Harmon, B. N. Kaminski, Adam Tomic, Milan Valenti, Roser Lee, Yongbin TI Dramatic changes in the electronic structure upon transition to the collapsed tetragonal phase in CaFe2As2 SO PHYSICAL REVIEW B LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; IRON PNICTIDES; 43 K; SUPERCONDUCTIVITY; CHALCOGENIDES; LAO1-XFXFEAS; METALS AB We use angle-resolved photoemission spectroscopy and density functional theory calculations to study the electronic structure of CaFe2As2 in the collapsed tetragonal (CT) phase. This unusual phase of iron arsenic high-temperature superconductors was hard to measure as it exists only under pressure. By inducing internal strain, via the postgrowth thermal treatment of single crystals, we were able to stabilize the CT phase at ambient pressure. We find significant differences in the Fermi surface topology and band dispersion data from the more common orthorhombic-antiferromagnetic or tetragonal-paramagnetic phases, consistent with electronic structure calculations. The top of the hole bands sinks below the Fermi level, which destroys the nesting present in parent phases. The absence of nesting in this phase, along with an apparent loss of Fe magnetic moment, are now clearly experimentally correlated with the lack of superconductivity in this phase. C1 [Dhaka, R. S.] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Tomic, Milan; Valenti, Roser] Goethe Univ Frankfurt, Inst Theoret Phys, D-60438 Frankfurt, Germany. [Lee, Yongbin] US DOE, Ames Lab, Ames, IA 50011 USA. RP Dhaka, RS (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. RI Dhaka, Rajendra/C-2486-2013; Canfield, Paul/H-2698-2014 FU U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; U.S. DOE by Iowa State University [DE-AC02-07CH11358]; Deutsche Forschungsgemeinschaft [SPP 1458]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Sung-Kwan Mo for instrumentation support at the ALS. This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. Ames Laboratory is operated for the U.S. DOE by Iowa State University under contract No. DE-AC02-07CH11358 (sample growth, ARPES measurements, and data analysis). M. T. and R. V. thank the Deutsche Forschungsgemeinschaft for funding through Grant No. SPP 1458 (DFT calculations). 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 50 TC 24 Z9 24 U1 5 U2 26 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 JAN 31 PY 2014 VL 89 IS 2 AR 020511 DI 10.1103/PhysRevB.89.020511 PG 5 WC Physics, Condensed Matter SC Physics GA AC2MK UT WOS:000332335000002 ER PT J AU Lei, HC Yin, WG Zhong, ZC Hosono, H AF Lei, Hechang Yin, Wei-Guo Zhong, Zhicheng Hosono, Hideo TI Structural, magnetic, and electrical properties of Li2Ir1-xRuxO3 SO PHYSICAL REVIEW B LA English DT Article ID LI2IRO3 AB The crystal structure, resistivity, and magnetic susceptibility of the Li2Ir1-xRuxO3 (x = 0-1) polycrystals have been investigated. We found that the parent antiferromagnetic phase disappears for x > 0.2 and bond dimers appear in the averaged structure for x > 0.5 and likely fluctuate for much smaller x. Unexpectedly, this system remains insulating for all the doping levels, contrary to the predictions based on the one-band j(eff) = 1/2 Kitaev-Heisenberg model. These results suggest that the honeycomb iridates doped with ruthenium are a unique 5d-orbital-based platform for studying the interplay of the charge, orbital, spin, and lattice degrees of freedom. C1 [Lei, Hechang; Hosono, Hideo] Tokyo Inst Technol, Frontier Res Ctr, Yokohama, Kanagawa 2268503, Japan. [Yin, Wei-Guo] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Zhong, Zhicheng] Vienna Univ Technol, Inst Solid State Phys, A-1040 Vienna, Austria. RP Lei, HC (reprint author), Tokyo Inst Technol, Frontier Res Ctr, Yokohama, Kanagawa 2268503, Japan. EM wyin@bnl.gov; hosono@msl.titech.ac.jp RI Zhong, Zhicheng/B-7675-2009; Hosono, Hideo/J-3489-2013; LEI, Hechang/H-3278-2016; Yin, Weiguo/A-9671-2014 OI Zhong, Zhicheng/0000-0003-1507-4814; Hosono, Hideo/0000-0001-9260-6728; Yin, Weiguo/0000-0002-4965-5329 FU Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST), Japan; US Department of Energy (DOE), Division of Materials Science [DE-AC02-98CH10886] FX This work was supported by the Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST), Japan. The work at Brookhaven National Laboratory was supported by the US Department of Energy (DOE), Division of Materials Science, under Contract No. DE-AC02-98CH10886. NR 40 TC 17 Z9 17 U1 2 U2 29 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 JAN 31 PY 2014 VL 89 IS 2 AR 020409 DI 10.1103/PhysRevB.89.020409 PG 5 WC Physics, Condensed Matter SC Physics GA AC2MK UT WOS:000332335000001 ER PT J AU Wang, N West, D Liu, JW Li, J Yan, QM Gu, BL Zhang, SB Duan, WH AF Wang, Na West, Damien Liu, Junwei Li, Jia Yan, Qimin Gu, Bing-Lin Zhang, S. B. Duan, Wenhui TI Microscopic origin of the p-type conductivity of the topological crystalline insulator SnTe and the effect of Pb alloying SO PHYSICAL REVIEW B LA English DT Article ID TEMPERATURE; DEFECTS AB The interest in SnTe has recently increased due to its topological crystalline insulator nature, despite the fact that SnTe is always heavily p type. Here, using first-principles calculations, we identify the microscopic origin of the p-type conductivity of SnTe. It is found that the negatively charged Sn vacancy (V-Sn(2-)) dominates the electronic properties of SnTe: regardless of the growth conditions, V-Sn(2-) always has a negative formation energy within the band gap, which forces the Fermi level below the valence band maximum (VBM), leading to degenerate p-type doping. In contrast, the deeper VBM of PbTe increases the formation energy of the Pb vacancy (V-Pb(2-)), allowing for either n-type or p-type PbTe. So even though standard n doping of SnTe is very difficult, alloying with Pb can achieve n doping by lowering the VBM, thereby inhibiting the formation of cation vacancy and, thus, probably producing a topological crystalline insulator with the Fermi level located near the Dirac point. C1 [Wang, Na; Liu, Junwei; Gu, Bing-Lin; Duan, Wenhui] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. [Wang, Na; Liu, Junwei; Gu, Bing-Lin; Duan, Wenhui] Tsinghua Univ, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China. [West, Damien; Zhang, S. B.] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. [Li, Jia] Tsinghua Univ, Grad Sch Shenzhen, Inst Adv Mat, Shenzhen, Peoples R China. [Yan, Qimin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Gu, Bing-Lin; Duan, Wenhui] Tsinghua Univ, Collaborat Innovat Ctr Quantum Matter, Beijing 100084, Peoples R China. RP Wang, N (reprint author), Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. EM dwh@phys.tsinghua.edu.cn RI liu, junwei/B-1468-2010; Zhang, Shengbai/D-4885-2013; Li, Jia/H-5932-2011; Duan, Wenhui /H-4992-2011; Yan, Qimin/B-2147-2014; West, Damien/F-8616-2012 OI liu, junwei/0000-0001-8051-7349; Zhang, Shengbai/0000-0003-0833-5860; Li, Jia/0000-0001-9361-2281; Duan, Wenhui /0000-0001-9685-2547; West, Damien/0000-0002-4970-3968 FU Ministry of Science and Technology of China [2011CB921901, 2011CB606405]; National Natural Science Foundation of China [11334006]; Defense Award Research Project Agency [N66001-12-1-4304]; US Department of Energy [DE-SC0002623]; NERSC [AC02-05CH11231] FX We acknowledge the support of the Ministry of Science and Technology of China (Grant Nos. 2011CB921901 and 2011CB606405) and the National Natural Science Foundation of China (Grant No. 11334006). D. West acknowledges support from the Defense Award Research Project Agency, Award No. N66001-12-1-4304, and S. B. Zhang acknowledges support from the US Department of Energy under Grant No. DE-SC0002623. Supercomputer time was provided by the NERSC under Grant No. DE-AC02-05CH11231 and the Computational Center for Nanotechnology Innovations at Rensselaer Polytechnic Institute. NR 41 TC 25 Z9 25 U1 4 U2 52 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 JAN 31 PY 2014 VL 89 IS 4 AR 045142 DI 10.1103/PhysRevB.89.045142 PG 6 WC Physics, Condensed Matter SC Physics GA AC2NG UT WOS:000332337400002 ER PT J AU Brown, LS Hale, GM AF Brown, Lowell S. Hale, Gerald M. TI Field theory of the d plus t -> n plus alpha reaction dominated by a He-5* unstable particle SO PHYSICAL REVIEW C LA English DT Article ID NUCLEAR-FORCES; FUSION; SCATTERING AB An effective, nonrelativistic quantum field theory for the dt -> n alpha fusion reaction in the low-energy, resonance region is presented. The theory assumes that the reaction is dominated by an intermediate He-5* unstable spin-3/2(+) resonance. It involves two parameters in the coupling of the dt and n alpha particles to the unstable resonant state and the resonance energy level-only three real parameters in all. All Coulomb corrections to this process are computed. The resultant field theory is exactly solvable and provides an excellent description of the dt fusion process. C1 [Brown, Lowell S.; Hale, Gerald M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Brown, LS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM brownl@lanl.gov FU National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX We are indebted to Mark Paris for his detailed comments that have improved the presentation of this paper. We are grateful to David Kaplan and Michael Birse for useful comments, some of which occurred during discussions when one of us (G.M.H.) attended a workshop at the Institute for Nuclear Theory at the University of Washington. 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. NR 17 TC 2 Z9 2 U1 0 U2 3 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 JAN 31 PY 2014 VL 89 IS 1 AR 014622 DI 10.1103/PhysRevC.89.014622 PG 15 WC Physics, Nuclear SC Physics GA AC0BR UT WOS:000332160300007 ER PT J AU Hale, GM Brown, LS Paris, MW AF Hale, Gerald M. Brown, Lowell S. Paris, Mark W. TI Effective field theory as a limit of R-matrix theory for light nuclear reactions SO PHYSICAL REVIEW C LA English DT Article ID SCATTERING; DT AB We study the zero channel radius limit of Wigner's R-matrix theory for two cases and show that it corresponds to nonrelativistic effective quantum field theory. We begin with the simple problem of single-channel np elastic scattering in the S-1(0) channel. The dependence of the R-matrix width g(2) and level energy E-lambda on the channel radius a for fixed scattering length a(0) and effective range r(0) is determined. It is shown that these quantities have a simple pole for a critical value of the channel radius, a(p) = a(p) (a(0), r(0)). The H-3(d,n)He-4 reaction cross section, analyzed with a two-channel effective field theory in the previous paper [Phys. Rev. C 89, 014622 (2014)], is then examined using a two-channel, single-level R-matrix parametrization. The resulting S matrix is shown to be identical in these two representations in the limit that R-matrix channel radii are taken to zero. This equivalence is established by giving the relationship between the low-energy constants of the effective field theory (couplings g(c) and mass m(*)) and the R-matrix parameters (reduced width amplitudes gamma(c) and level energy E-lambda). An excellent three-parameter fit to the observed astrophysical factor S is found for "unphysical" values of the reduced widths, gamma(2)(c) < 0. C1 [Hale, Gerald M.; Brown, Lowell S.; Paris, Mark W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hale, GM (reprint author), Los Alamos Natl Lab, MS B283, Los Alamos, NM 87545 USA. EM mparis@lanl.gov OI Paris, Mark/0000-0003-0471-7896 FU National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX We thank M. Birse for indicating relevant references to the literature. 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. NR 16 TC 1 Z9 1 U1 0 U2 1 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 JAN 31 PY 2014 VL 89 IS 1 AR 014623 DI 10.1103/PhysRevC.89.014623 PG 7 WC Physics, Nuclear SC Physics GA AC0BR UT WOS:000332160300008 ER PT J AU Kruppa, AT Papadimitriou, G Nazarewicz, W Michel, N AF Kruppa, A. T. Papadimitriou, G. Nazarewicz, W. Michel, N. TI Nuclear three-body problem in the complex energy plane: Complex-scaling Slater method SO PHYSICAL REVIEW C LA English DT Article ID MATRIX-ELEMENTS; WAVE-FUNCTIONS; BACK-ROTATION; RESONANCES; MODEL; SYSTEMS; STATES; REGULARIZATION; EXPANSIONS; SCATTERING AB Background: The physics of open quantum systems is an interdisciplinary area of research. The nuclear "openness" manifests itself through the presence of the many-body continuum representing various decay, scattering, and reaction channels. As the radioactive nuclear beam experimentation extends the known nuclear landscape toward the particle drip lines, the coupling to the continuum space becomes exceedingly more important. Of particular interest are weakly bound and unbound nuclear states appearing around particle thresholds. Theories of such nuclei must take into account their open quantum nature. Purpose: To describe open quantum systems, we introduce a complex-scaling (CS) approach in the Slater basis. We benchmark it with the complex-energy Gamow shell model (GSM) by studying energies and wave functions of the bound and unbound states of the two-neutron halo nucleus He-6 viewed as an a + n + n cluster system. Methods: Both CS and GSM approaches are applied to a translationally invariant Hamiltonian with the two-body interaction approximated by the finite-range central Minnesota force. In the CS approach, we use the Slater basis, which exhibits the correct asymptotic behavior at large distances. To extract particle densities from the back-rotated CS solutions, we apply the Tikhonov regularization procedure, which minimizes the ultraviolet numerical noise. Results: We show that the CS-Slater method is both accurate and efficient. Its equivalence to the GSM approach has been demonstrated numerically for both energies and wave functions of He-6. One important technical aspect of our calculation was to fully retrieve the correct asymptotic behavior of a resonance state from the complex-scaled (square-integrable) wave function. While standard applications of the inverse complex transformation to the complex-rotated solution provide unstable results, the stabilization method fully reproduces the GSM benchmark. We also propose a method to determine the smoothing parameter of the Tikhonov regularization Conclusions: The combined suite of CS-Slater and GSM techniques has many attractive features when applied to nuclear problems involving weakly bound and unbound states. While both methods can describe energies, total widths, and wave functions of nuclear states, the CS-Slater method-if it can be applied-can provide additional information about partial energy widths associated with individual thresholds. C1 [Kruppa, A. T.; Papadimitriou, G.; Nazarewicz, W.; Michel, N.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Kruppa, A. T.] Hungarian Acad Sci, Inst Nucl Res, H-4001 Debrecen, Hungary. [Papadimitriou, G.] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. [Nazarewicz, W.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Nazarewicz, W.] Univ Warsaw, Inst Theoret Phys, PL-00681 Warsaw, Poland. [Michel, N.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Michel, N.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Kruppa, AT (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. FU US Department of Energy [DE-FG02-96ER40963]; TAMOP-4.2.2.C-11/1/KONV-2012-0001 project; European Union; European Social Fund FX Useful discussions with G. W. F Drake and M. Ploszajczak are gratefully acknowledged. This work was supported by the US Department of Energy under Contract No. DE-FG02-96ER40963 and by the TAMOP-4.2.2.C-11/1/KONV-2012-0001 project. The project has been supported by the European Union, co-financed by the European Social Fund. An allocation of advanced computing resources was provided by the National Science Foundation. Computational resources were provided by the National Center for Computational Sciences (NCCS) and the National Institute for Computational Sciences (NICS). NR 87 TC 10 Z9 10 U1 0 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD JAN 31 PY 2014 VL 89 IS 1 AR 014330 DI 10.1103/PhysRevC.89.014330 PG 15 WC Physics, Nuclear SC Physics GA AC0BR UT WOS:000332160300001 ER PT J AU Papenbrock, T Weidenmuller, HA AF Papenbrock, T. Weidenmueller, H. A. TI Effective field theory for finite systems with spontaneously broken symmetry SO PHYSICAL REVIEW C LA English DT Article ID EFFECTIVE LAGRANGIANS; PHENOMENOLOGICAL LAGRANGIANS; NUCLEI; STATES; BREAKING; GASES; ANTIFERROMAGNETS; FERROMAGNETS; EXCITATIONS; MAGNONS AB We extend effective field theory to the case of spontaneous symmetry breaking in genuinely finite quantum systems such as small superfluid systems, molecules, or atomic nuclei and focus on deformed nuclei. In finite superfluids, symmetry arguments alone relate the spectra of systems with different particle numbers. For systems with nonspherical intrinsic ground states such as atomic nuclei or molecules, symmetry arguments alone yield the universal features of the low-lying excitations as vibrations that are the heads of rotational bands. The low-lying excitations in deformed nuclei differ from those in molecules because of symmetry properties caused by pairing. C1 [Papenbrock, T.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Papenbrock, T.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Weidenmueller, H. A.] Max Planck Inst Kernphys, D-69029 Heidelberg, Germany. RP Papenbrock, T (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. OI Papenbrock, Thomas/0000-0001-8733-2849 FU US Department of Energy (University of Tennessee) [DE-FG02-96ER40963, DE-AC05-00OR22725]; UT-Battelle, LLC (Oak Ridge National Laboratory); Alexander-von-Humboldt Foundation FX The authors thank N. Pietralla and A. Richter for discussions. This work has been supported by the US Department of Energy under Grant Nos. DE-FG02-96ER40963 (University of Tennessee) and DE-AC05-00OR22725 with UT-Battelle, LLC (Oak Ridge National Laboratory), and by the Alexander-von-Humboldt Foundation. NR 49 TC 13 Z9 13 U1 1 U2 1 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 JAN 31 PY 2014 VL 89 IS 1 AR 014334 DI 10.1103/PhysRevC.89.014334 PG 8 WC Physics, Nuclear SC Physics GA AC0BR UT WOS:000332160300005 ER PT J AU Welland, MJ Wolf, D Guyer, JE AF Welland, Michael J. Wolf, Dieter Guyer, Jonathan E. TI Multicomponent phase-field model for extremely large partition coefficients SO PHYSICAL REVIEW E LA English DT Article ID BINARY-ALLOYS; ISOTHERMAL SOLIDIFICATION; RAPID SOLIDIFICATION; TRANSITIONS AB We develop a multicomponent phase-field model specially formulated to robustly simulate concentration variations from molar to atomic magnitudes across an interface, i. e., partition coefficients in excess of 10(+/- 23) such as may be the case with species which are predominant in one phase and insoluble in the other. Substitutional interdiffusion on a normal lattice and concurrent interstitial diffusion are included. The composition in the interface follows the approach of Kim, Kim, and Suzuki [Phys. Rev. E 60, 7186 (1999)] and is compared to that of Wheeler, Boettinger, and McFadden [Phys. Rev. A 45, 7424 (1992)] in the context of large partitioning. The model successfully reproduces analytical solutions for binary diffusion couples and solute trapping for the demonstrated cases of extremely large partitioning. C1 [Welland, Michael J.; Wolf, Dieter] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Guyer, Jonathan E.] Natl Inst Stand & Technol, Div Engn & Mat Sci, Mat Measurement Lab, Gaithersburg, MD 20899 USA. RP Welland, MJ (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mwelland@anl.gov RI Guyer, Jonathan/M-5165-2016; OI Guyer, Jonathan/0000-0002-1407-6589; Welland, Michael/0000-0002-7683-6213 FU US Department of Energy, Office of Science, Materials Sciences and Engineering Division (DOE-BES) Computational Materials and Chemical Sciences Network (CMCSN) project on Computational Microstructure Science; UChicago Argonne, LLC [DE-AC02-06CH11357] FX M.J.W. wishes to acknowledge Dr. Shiyuan Gu for several helpful discussions of a mathematical nature. M. J. W. and J. E. G. were supported by the US Department of Energy, Office of Science, Materials Sciences and Engineering Division (DOE-BES) Computational Materials and Chemical Sciences Network (CMCSN) project on Computational Microstructure Science. D. W. and M. J. W. were supported by UChicago Argonne, LLC under Contract No. DE-AC02-06CH11357. NR 36 TC 4 Z9 4 U1 1 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 EI 1550-2376 J9 PHYS REV E JI Phys. Rev. E PD JAN 31 PY 2014 VL 89 IS 1 AR 012409 DI 10.1103/PhysRevE.89.012409 PG 14 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA AC0FJ UT WOS:000332169900006 PM 24580239 ER PT J AU Yeddu, HK Lookman, T Saxena, A AF Yeddu, Hemantha Kumar Lookman, Turab Saxena, Avadh TI The simultaneous occurrence of martensitic transformation and reversion of martensite SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Phase-field model; Martensitic phase transformation; Reverse phase transformation; Microstructure; Steels ID AUSTENITIC STAINLESS-STEELS; PHASE-FIELD MODEL; MICROSTRUCTURE EVOLUTION; PLASTIC-ACCOMMODATION; SIMULATION; ALLOYS AB We use a 3D elastoplastic phase-field model to study the simultaneous occurrence of martensitic transformation as well as the reversion of martensite in steels under uni-axial tension. Our results show that although martensite nucleates and grows as a single lath (variant), it reverts and splits into two independent martensite laths, due to "unfavorable" local stresses. (C) 2013 Elsevier B.V. All rights reserved. C1 [Yeddu, Hemantha Kumar; Lookman, Turab; Saxena, Avadh] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Yeddu, HK (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM hemy@lanl.gov FU U.S. Department of Energy FX This work was supported by the U.S. Department of Energy. NR 28 TC 4 Z9 5 U1 1 U2 17 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 EI 1873-4936 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD JAN 31 PY 2014 VL 594 BP 48 EP 51 DI 10.1016/j.msea.2013.11.036 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA AB3FW UT WOS:000331677700007 ER PT J AU Kogan, VG Mints, RG AF Kogan, V. G. Mints, R. G. TI Interaction of Josephson junction and distant vortex in narrow thin-film superconducting strips SO PHYSICAL REVIEW B LA English DT Article AB The phase difference between the banks of an edge-type planar Josephson junction crossing the narrow thin-film strip depends on wether or not vortices are present in the junction banks. For a vortex close to the junction this effect has been seen by Golod, Rydh, and Krasnov [Phys. Rev. Lett. 104, 227003 (2010)], who showed that the vortex may turn the junction into pi type. It is shown here that even if the vortex is far away from the junction, it still changes the 0 junction to a pi junction when situated close to the strip edges. Within the approximation used, the effect is independent of the vortex-junction separation, a manifestation of the topology of the vortex phase which extends to macroscopic distances of superconducting coherence. C1 [Kogan, V. G.] Iowa State Univ, DOE, Ames Lab, Ames, IA 50011 USA. [Kogan, V. G.] Iowa State Univ, Dept Phys, Ames, IA 50011 USA. [Mints, R. G.] Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. RP Kogan, VG (reprint author), Iowa State Univ, DOE, Ames Lab, Ames, IA 50011 USA. FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; U.S. DOE [DE-AC02-07CH11358] FX The authors are grateful to J. Clem, A. Gurevich, J. Kirtley, I. Sochnikov, and V. Krasnov for helpful discussions. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. The work was done at the Ames Laboratory, which is operated for the U.S. DOE by Iowa State University under Contract No. DE-AC02-07CH11358. NR 5 TC 2 Z9 2 U1 0 U2 4 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 JAN 31 PY 2014 VL 89 IS 1 AR 014516 DI 10.1103/PhysRevB.89.014516 PG 4 WC Physics, Condensed Matter SC Physics GA AC2ME UT WOS:000332334400004 ER PT J AU Walsh, F Smith, DP Owens, SM Duffy, B Frey, JE AF Walsh, Fiona Smith, Daniel P. Owens, Sarah M. Duffy, Brion Frey, Juerg E. TI Restricted streptomycin use in apple orchards did not adversely alter the soil bacteria communities SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE Pseudomonas; QIIME; CatchAll; 16S rRNA; Buricholderia ID ANTIBIOTIC-RESISTANCE; PLANT AGRICULTURE; DIVERSITY; GENES AB Streptomycin has been authorized for restricted use in the prevention of the fire blight disease of pome fruit orchards in the EU and Switzerland. This study addresses the important topic of the influence of the use of streptomycin in agriculture on the total bacteria community within the soil ecosystem. Soil samples were taken from soils under apple trees, prior to streptomycin application and 2 weeks post streptomycin application or water application (untreated control). High throughput 16S rRNA gene amplicon sequencing was used to generate datasets from the soils under apple trees in apple orchards from three different locations in Switzerland. We hypothesized that the use of streptomycin would reduce the bacterial diversity within the soil samples and enhance a reduction in the variety of taxa present. Bacterial species such as Pseudomonas, Burkholderia, and Stenotrophomonas are intrinsically resistant to many antibiotics and as such it is of interest to investigate if the use of streptomycin provided a selective advantage for these bacteria in the soil ecosystem. The application of streptomycin did not influence the abundance and diversities of major bacteria taxa of the soils or the Pseudomonas, Burkholderia, and Stenotrophomonas species. We also discovered that apple orchards under the same management practices, did not harbor the same bacterial communities. The restricted application of streptomycin in the protection of apple orchards from the fire blight pathogen Erwinia amylovora under the guidelines in Switzerland did not alter either the bacterial diversity or abundance within these soil ecosystems. C1 [Walsh, Fiona; Frey, Juerg E.] Res Stn Agroscope Changins Wadenswil ACW, Fed Dept Econ Affairs Educ & Res EAER, CH-8820 Wadenswil, Switzerland. [Smith, Daniel P.; Owens, Sarah M.] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [Owens, Sarah M.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Duffy, Brion] Zurich Univ Appl Sci, Inst Nat Resource Sci, LSFM, Environm Genom & Syst Biol Res Grp, Zurich, Switzerland. RP Walsh, F (reprint author), Res Stn Agroscope Changins Wadenswil ACW, Fed Dept Econ Affairs Educ & Res EAER, CH-8820 Wadenswil, Switzerland. EM fiona.walsh@agroscope.admin.ch RI Walsh, Fiona/C-6652-2012 OI Walsh, Fiona/0000-0003-0789-1689 FU Swiss Federal Office for Agriculture; Swiss Federal Office for the Environment; Swiss Expert Committee for Biosafety (SECB) FX This project was funded by the Swiss Federal Office for Agriculture, the Swiss Federal Office for the Environment and the Swiss Expert Committee for Biosafety (SECB). The funding source played no role in the design, collection and analyses of the data. NR 32 TC 6 Z9 6 U1 3 U2 45 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD JAN 31 PY 2014 VL 4 AR 383 DI 10.3389/fmicb.2013.00383 PG 8 WC Microbiology SC Microbiology GA AB3NV UT WOS:000331698400001 ER PT J AU Lasota, JP Gourgoulhon, E Abramowicz, M Tchekhovskoy, A Narayan, R AF Lasota, J. -P. Gourgoulhon, E. Abramowicz, M. Tchekhovskoy, A. Narayan, R. TI Extracting black-hole rotational energy: The generalized Penrose process SO PHYSICAL REVIEW D LA English DT Article ID 3-DIMENSIONAL MAGNETOHYDRODYNAMIC SIMULATIONS; BLANDFORD-ZNAJEK MECHANISM; ACTIVE GALACTIC NUCLEI; ELECTROMAGNETIC EXTRACTION; ACCRETION FLOWS; ENERGETICS; HORIZONS; PLASMA; FIELD; JETS AB In the case involving particles, the necessary and sufficient condition for the Penrose process to extract energy from a rotating black hole is absorption of particles with negative energies and angular momenta. No torque at the black-hole horizon occurs. In this article we consider the case of arbitrary fields or matter described by an unspecified, general energy-momentum tensor T-mu nu and show that the necessary and sufficient condition for extraction of a black hole's rotational energy is analogous to that in the mechanical Penrose process: absorption of negative energy and negative angular momentum. We also show that a necessary condition for the Penrose process to occur is for the Noether current (the conserved energy-momentum density vector) to be spacelike or past directed (timelike or null) on some part of the horizon. In the particle case, our general criterion for the occurrence of a Penrose process reproduces the standard result. In the case of relativistic jet-producing "magnetically arrested disks," we show that the negative energy and angular-momentum absorption condition is obeyed when the Blandford-Znajek mechanism is at work, and hence the high energy extraction efficiency up to similar to 300% found in recent numerical simulations of such accretion flows results from tapping the black hole's rotational energy through the Penrose process. We show how black-hole rotational energy extraction works in this case by describing the Penrose process in terms of the Noether current. C1 [Lasota, J. -P.] Univ Paris 06, Inst Astrophys Paris, UMR CNRS 7095, F-75014 Paris, France. [Lasota, J. -P.; Abramowicz, M.] Nicolaus Copernicus Astron Ctr, PL-00716 Warsaw, Poland. [Lasota, J. -P.] Jagiellonian Univ, Astron Observ, PL-30244 Krakow, Poland. [Gourgoulhon, E.] Univ Paris Diderot, LUTH, Observ Paris, CNRS, F-92190 Meudon, France. [Abramowicz, M.] Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden. [Abramowicz, M.] Silesian Univ Opava, Inst Phys, CZ-74601 Opava, Czech Republic. [Tchekhovskoy, A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Tchekhovskoy, A.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Tchekhovskoy, A.] Princeton Univ, Ctr Theoret Sci, Princeton, NJ 08544 USA. [Narayan, R.] Harvard Smithsonian Ctr Astrophys, Inst Theory & Computat, Cambridge, MA 02138 USA. RP Lasota, JP (reprint author), Univ Paris 06, Inst Astrophys Paris, UMR CNRS 7095, 98bis Bd Arago, F-75014 Paris, France. EM lasota@iap.fr OI Narayan, Ramesh/0000-0002-1919-2730 FU Polish NCN [UMO-2011/01/B/ST9/05439, UMO-2011/01/B/ST9/05437, DEC-2012/04/A/ST9/00083]; Czech "Synergy" grant for international collaboration [CZ.1.07/2.3.00/20.0071]; French Space Agency CNES; Agence Nationale de la Recherche [ANR-12-BS01-012-01]; Princeton Center for Theoretical Science Fellowship; NASA through Einstein Postdoctoral Fellowship [PF3-140115]; Chandra X-ray Center; NASA [NAS8-03060]; NSF; NCSA MSS [TG-AST100040, TG-AST080026N] FX M. A. and J. P. L. thank Serguei Komissarov for an enlightening and stimulating exchange of Emails. Research reported here was partially supported by Polish NCN Grants No. UMO-2011/01/B/ST9/05439, No. UMO-2011/01/B/ST9/05437, and No. DEC-2012/04/A/ST9/00083. Research at the Silesian University in Opava was supported by the Czech CZ.1.07/2.3.00/20.0071 "Synergy" grant for international collaboration. JPL acknowledges a grant from the French Space Agency CNES and EG, Grant No. ANR-12-BS01-012-01 "Analyse Asymptotique en Relativite Generale" from Agence Nationale de la Recherche. Support for this work was provided by a Princeton Center for Theoretical Science Fellowship and by NASA through Einstein Postdoctoral Fellowship Grant No. PF3-140115 awarded by the Chandra X-ray Center, which is operated by the Smithsonian Astrophysical Observatory for NASA under Contract No. NAS8-03060. We acknowledge support by the NSF through TeraGrid/XSEDE resources provided by NICS Kraken and LONI QueenBee, where simulations were carried out; NICS Nautilus, where data were analyzed; and TACC Ranch and NCSA MSS, where data were backed up, under Grants No. TG-AST100040 (A. T.) and No. TG-AST080026N (R. N.). NR 51 TC 23 Z9 23 U1 0 U2 11 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 JAN 31 PY 2014 VL 89 IS 2 AR 024041 DI 10.1103/PhysRevD.89.024041 PG 24 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AB6BW UT WOS:000331873500001 ER PT J AU Gofryk, K Pan, MH Cantoni, C Saparov, B Mitchell, JE Sefat, AS AF Gofryk, Krzysztof Pan, Minghu Cantoni, Claudia Saparov, Bayrammurad Mitchell, Jonathan E. Sefat, Athena S. TI Local Inhomogeneity and Filamentary Superconductivity in Pr-Doped CaFe2As2 SO PHYSICAL REVIEW LETTERS LA English DT Article AB We use multiscale techniques to determine the extent of local inhomogeneity and superconductivity in Ca0.86Pr0.14Fe2As2 single crystal. The inhomogeneity is manifested as a spatial variation of the praseodymium concentration, local density of states, and superconducting order parameter. We show that the high-T-c superconductivity emerges from cloverlike defects associated with Pr dopants. The highest T-c is observed in both the tetragonal and collapsed tetragonal phases, and its filamentary nature is a consequence of nonuniform Pr distribution that develops localized, isolated superconducting regions within the crystals. C1 [Gofryk, Krzysztof; Pan, Minghu; Cantoni, Claudia; Saparov, Bayrammurad; Mitchell, Jonathan E.; Sefat, Athena S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Gofryk, K (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Gofryk, Krzysztof/F-8755-2014; Sefat, Athena/R-5457-2016; OI Sefat, Athena/0000-0002-5596-3504; Gofryk, Krzysztof/0000-0002-8681-6857 FU Department of Energy, Basic Energy Sciences, Materials Sciences, and Engineering Division FX This work was supported by the Department of Energy, Basic Energy Sciences, Materials Sciences, and Engineering Division. NR 39 TC 19 Z9 19 U1 4 U2 43 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 JAN 31 PY 2014 VL 112 IS 4 AR 047005 DI 10.1103/PhysRevLett.112.047005 PG 5 WC Physics, Multidisciplinary SC Physics GA AB7DB UT WOS:000331948400012 PM 24580484 ER PT J AU Kehimkar, B Hoggard, JC Marney, LC Billingsley, MC Fraga, CG Bruno, TJ Synovec, RE AF Kehimkar, Benjamin Hoggard, Jamin C. Marney, Luke C. Billingsley, Matthew C. Fraga, Carlos G. Bruno, Thomas J. Synovec, Robert E. TI Correlation of rocket propulsion fuel properties with chemical composition using comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry followed by partial least squares regression analysis SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE GC x GC-TOFMS; PLS; Chemometrics; Gas chromatography; RP-1; Kerosene ID GC X GC; QUANTITATIVE-ANALYSIS; CHEMOMETRIC ANALYSIS; FEATURE-SELECTION; TOFMS DATA; JET FUELS; ALIGNMENT; SEPARATIONS; VARIABILITY; RESOLUTION AB There is an increased need to more fully assess and control the composition of kerosene-based rocket propulsion fuels such as RP-1. In particular, it is critical to make better quantitative connections among the following three attributes: fuel performance (thermal stability, sooting propensity, engine specific impulse, etc.), fuel properties (such as flash point, density, kinematic viscosity, net heat of combustion, and hydrogen content), and the chemical composition of a given fuel, i.e., amounts of specific chemical compounds and compound classes present in a fuel as a result of feedstock blending and/or processing. Recent efforts in predicting fuel chemical and physical behavior through modeling put greater emphasis on attaining detailed and accurate fuel properties and fuel composition information. Often, one-dimensional gas chromatography (GC) combined with mass spectrometry (MS) is employed to provide chemical composition information. Building on approaches that used GC-MS, but to glean substantially more chemical information from these complex fuels, we recently studied the use of comprehensive two dimensional (2D) gas chromatography combined with time-of-flight mass spectrometry (GC x GC-TOFMS) using a "reversed column" format: RTX-wax column for the first dimension, and a RTX-1 column for the second dimension. In this report, by applying chemometric data analysis, specifically partial least-squares (PLS) regression analysis, we are able to readily model (and correlate) the chemical compositional information provided by use of GC x GC-TOFMS to RP-1 fuel property information such as density, kinematic viscosity, net heat of combustion, and so on. Furthermore, we readily identified compounds that contribute significantly to measured differences in fuel properties based on results from the PLS models. We anticipate this new chemical analysis strategy will have broad implications for the development of high fidelity composition-property models, leading to an improved approach to fuel formulation and specification for advanced engine cycles. (C) 2014 Elsevier B.V. All rights reserved. C1 [Kehimkar, Benjamin; Hoggard, Jamin C.; Marney, Luke C.; Synovec, Robert E.] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Billingsley, Matthew C.] RQRC, Air Force Res Lab, Edwards AFB, CA 93524 USA. [Fraga, Carlos G.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Bruno, Thomas J.] Natl Inst Stand & Technol, Appl Chem & Mat Div, Boulder, CO 80305 USA. RP Synovec, RE (reprint author), Univ Washington, Dept Chem, Seattle, WA 98195 USA. EM synovec@chem.washington.edu NR 34 TC 9 Z9 9 U1 5 U2 38 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 EI 1873-3778 J9 J CHROMATOGR A JI J. Chromatogr. A PD JAN 31 PY 2014 VL 1327 BP 132 EP 140 DI 10.1016/j.chroma.2013.12.060 PG 9 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA AA2FP UT WOS:000330910800015 PM 24411093 ER PT J AU Kamke, J Rinke, C Schwientek, P Mavromatis, K Ivanova, N Sczyrba, A Woyke, T Hentschel, U AF Kamke, Janine Rinke, Christian Schwientek, Patrick Mavromatis, Kostas Ivanova, Natalia Sczyrba, Alexander Woyke, Tanja Hentschel, Ute TI The Candidate Phylum Poribacteria by Single-Cell Genomics: New Insights into Phylogeny, Cell-Compartmentation, Eukaryote-Like Repeat Proteins, and Other Genomic Features SO PLOS ONE LA English DT Article ID MARINE ORGANIC PHOSPHORUS; SPONGE SYMBIONTS; GROWTH-FACTOR; BACTERIA; FIBRONECTIN; REVEALS; TRANSMISSION; DEMOSPONGIAE; PATHOGENESIS; COMMUNITIES AB The candidate phylum Poribacteria is one of the most dominant and widespread members of the microbial communities residing within marine sponges. Cell compartmentalization had been postulated along with their discovery about a decade ago and their phylogenetic association to the Planctomycetes, Verrucomicrobia, Chlamydiae superphylum was proposed soon thereafter. In the present study we revised these features based on genomic data obtained from six poribacterial single cells. We propose that Poribacteria form a distinct monophyletic phylum contiguous to the PVC superphylum together with other candidate phyla. Our genomic analyses supported the possibility of cell compartmentalization in form of bacterial microcompartments. Further analyses of eukaryote-like protein domains stressed the importance of such proteins with features including tetratricopeptide repeats, leucin rich repeats as well as low density lipoproteins receptor repeats, the latter of which are reported here for the first time from a sponge symbiont. Finally, examining the most abundant protein domain family on poribacterial genomes revealed diverse phyH family proteins, some of which may be related to dissolved organic posphorus uptake. C1 [Kamke, Janine; Hentschel, Ute] Univ Wurzburg, Julius von Sachs Inst Biol Sci, Dept Bot 2, D-97070 Wurzburg, Germany. [Rinke, Christian; Schwientek, Patrick; Mavromatis, Kostas; Ivanova, Natalia; Sczyrba, Alexander; Woyke, Tanja] Dept Energy Joint Genome Inst, Walnut Creek, CA USA. [Sczyrba, Alexander] Univ Bielefeld, Ctr Biotechnol, D-33615 Bielefeld, Germany. RP Hentschel, U (reprint author), Univ Wurzburg, Julius von Sachs Inst Biol Sci, Dept Bot 2, D-97070 Wurzburg, Germany. EM ute.hentschel@uni-wuerzburg.de RI Hentschel, Ute/H-8343-2013; OI Hentschel, Ute/0000-0003-0596-790X; Kamke, Janine/0000-0001-5475-1238; Rinke, Christian/0000-0003-4632-1187; Ivanova, Natalia/0000-0002-5802-9485 FU German Research Foundation (DFG); University of Wuerzburg; grant TPA5 [SFB630]; grant TPC3 [SFB567]; Bavaria California Technology Center (BaCaTeC); United States Department of Energy Joint Genome Institute, Office of Science of the United States Department of Energy [DE-AC02-05CH11231] FX This publication was funded by the German Research Foundation (DFG) and the University of Wuerzburg in the funding programme Open Access Publishing. URL: http://www.bibliothek.uni-wuerzburg.de/en/homepage/. Financial support to U.H. was provided by the SFB630-grant TPA5, the SFB567-grant TPC3, and by the Bavaria California Technology Center (BaCaTeC). T.W., C.R., P.S., N.I and K.M. were funded by the United States Department of Energy Joint Genome Institute, Office of Science of the United States Department of Energy under Contract No. DE-AC02-05CH11231. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 68 TC 17 Z9 17 U1 0 U2 22 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 JAN 31 PY 2014 VL 9 IS 1 AR e87353 DI 10.1371/journal.pone.0087353 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 302RF UT WOS:000330621900096 PM 24498082 ER PT J AU Lee, J Urban, A Li, X Su, D Hautier, G Ceder, G AF Lee, Jinhyuk Urban, Alexander Li, Xin Su, Dong Hautier, Geoffroy Ceder, Gerbrand TI Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries SO SCIENCE LA English DT Article ID CATHODE MATERIALS; ELECTRODE MATERIALS; SOLID-SOLUTION; ION BATTERIES; HIGH-CAPACITY; HIGH-POWER; LIXCOO2; ELECTROCHEMISTRY; EXTRACTION; CHEMISTRY AB Nearly all high-energy density cathodes for rechargeable lithium batteries are well-ordered materials in which lithium and other cations occupy distinct sites. Cation-disordered materials are generally disregarded as cathodes because lithium diffusion tends to be limited by their structures. The performance of Li1.211Mo0.467Cr0.3O2 shows that lithium diffusion can be facile in disordered materials. Using ab initio computations, we demonstrate that this unexpected behavior is due to percolation of a certain type of active diffusion channels in disordered Li-excess materials. A unified understanding of high performance in both layered and Li-excess materials may enable the design of disordered-electrode materials with high capacity and high energy density. C1 [Lee, Jinhyuk; Urban, Alexander; Li, Xin; Hautier, Geoffroy; Ceder, Gerbrand] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Ceder, G (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. EM gceder@mit.edu RI Su, Dong/A-8233-2013 OI Su, Dong/0000-0002-1921-6683 FU Robert Bosch Corporation; Umicore Specialty Oxides and Chemicals; Samsung Scholarship; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX Supported by the Robert Bosch Corporation, by Umicore Specialty Oxides and Chemicals, and by a Samsung Scholarship (J.L.). Computational resources from the National Energy Research Scientific Computing Center (NERSC) and from the Extreme Science and Engineering Discovery Environment (XSEDE) are gratefully acknowledged. The STEM work carried out 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 DE-AC02-98CH10886. We thank N. Twu, S. Kim, and J. Kim for valuable discussions. NR 29 TC 181 Z9 183 U1 64 U2 507 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD JAN 31 PY 2014 VL 343 IS 6170 BP 519 EP 522 DI 10.1126/science.1246432 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 298SC UT WOS:000330343700041 PM 24407480 ER PT J AU Rodrigues, ML Nakayasu, ES Almeida, IC Nimrichter, L AF Rodrigues, Marcio L. Nakayasu, Ernesto S. Almeida, Igor C. Nimrichter, Leonardo TI The impact of proteomics on the understanding of functions and biogenesis of fungal extracellular vesicles SO JOURNAL OF PROTEOMICS LA English DT Review DE Extracellular vesicles; Pathogenic fungi; Proteomics ID UNCONVENTIONAL PROTEIN SECRETION; CANDIDA-ALBICANS INFECTION; CELL-WALL COMPOSITION; CRYPTOCOCCUS-NEOFORMANS; PARACOCCIDIOIDES-BRASILIENSIS; VESICULAR TRANSPORT; FINE-STRUCTURE; MURINE MODEL; EXOSOMES; PATHWAY AB Several microbial molecules are released to the extracellular space in vesicle-like structures. In pathogenic fungi, these molecules include pigments, polysaccharides, lipids, and proteins, which traverse the cell wall in vesicles that accumulate in the extracellular space. The diverse composition of fungal extracellular vesicles (EV) is indicative of multiple mechanisms of cellular biogenesis, a hypothesis that was supported by EV proteomic studies in a set of Saccharomyces cerevisiae strains with defects in both conventional and unconventional secretory pathways. In the human pathogens Cryptococcus neoformans, Histoplasma capsulatum, and Paracoccidioides brasiliensis, extracellular vesicle proteomics revealed the presence of proteins with both immunological and pathogenic activities. In fact, fungal EV have been demonstrated to interfere with the activity of immune effector cells and to increase fungal pathogenesis. In this review, we discuss the impact of proteomics on the understanding of functions and biogenesis of fungal EV, as well as the potential role of these structures in fungal pathogenesis. (C) 2013 Elsevier B.V. All rights reserved. C1 [Rodrigues, Marcio L.] Fiocruz MS, Fundacao Oswaldo Cruz, CDTS, BR-21040360 Rio De Janeiro, Brazil. [Rodrigues, Marcio L.; Nimrichter, Leonardo] Univ Fed Rio de Janeiro, Inst Microbiol Prof Paulo Goes, BR-21941 Rio De Janeiro, Brazil. [Nakayasu, Ernesto S.; Almeida, Igor C.] Univ Texas El Paso, Border Biomed Res Ctr, Dept Biol Sci, El Paso, TX 79968 USA. [Nakayasu, Ernesto S.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Rodrigues, ML (reprint author), Fiocruz MS, CDTS, Av Brasil 4-365,Casa Amarela, BR-21040360 Rio De Janeiro, Brazil. EM marciolr@cdts.fiocruz.br RI Rodrigues, Marcio/J-3727-2013; Nimrichter, Leonardo/L-3545-2014 OI Rodrigues, Marcio/0000-0002-6081-3439; Nimrichter, Leonardo/0000-0001-9281-6856 FU Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES, Brazil); Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq, Brazil); Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP, Brazil); Fundacao de Amparo a Pesquisa do Estado do Rio de Janeiro (FAPERJ, Brazil); National Institutes of Health [1R01AI070655-04, 3R01AI070655-04S1, 5S06GM08012-37, 8G12MD007592, 2G12RR008124-16A1, 2G12RR008124-16A1S1]; Biomolecule Analysis Core Facility at the Border Biomedical Research Center/UTEP (NIH) [8G12MD007592, 2G12RR008124-16A1, 2G12RR008124-16A1S1] FX We thank Rosana Puccia (UNIFESP, Brazil) and Jennifer Lodge (Washington University School of Medicine) for sharing figures that were originally published by their groups. We are also thankful to Arturo Casadevall and Joshua Nosanchuk (Albert Einstein School of Medicine - Yeshiva University) for collaboration in many projects focused on fungal EV and current and past members of the Rodrigues and Nimrichter laboratories for their efforts on vesicles studies. MLR and LN are supported by grants from Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES, Brazil), Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq, Brazil), Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP, Brazil), and Fundacao de Amparo a Pesquisa do Estado do Rio de Janeiro (FAPERJ, Brazil). ICA was supported by grants 1R01AI070655-04, 3R01AI070655-04S1, 5S06GM08012-37, 8G12MD007592, 2G12RR008124-16A1, and 2G12RR008124-16A1S1 from the National Institutes of Health. We are grateful to the Biomolecule Analysis Core Facility at the Border Biomedical Research Center/UTEP (NIH grants 8G12MD007592, 2G12RR008124-16A1, and 2G12RR008124-16A1S1) for the access to LC-MS instruments used in many of the proteomic analyses described in this review. NR 67 TC 25 Z9 25 U1 2 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1874-3919 EI 1876-7737 J9 J PROTEOMICS JI J. Proteomics PD JAN 31 PY 2014 VL 97 BP 177 EP 186 DI 10.1016/j.jprot.2013.04.001 PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA CA8SR UT WOS:000349191700016 PM 23583696 ER PT J AU Firestone, RB Revay, Z Belgya, T AF Firestone, R. B. Revay, Zs. Belgya, T. TI Thermal neutron capture cross sections and neutron separation energies for Na-23(n,gamma) SO PHYSICAL REVIEW C LA English DT Article ID RESONANCE; ACCURATE; NA-23 AB Prompt thermal neutron capture gamma-ray cross sections sigma(gamma) were measured for the Na-23(n,gamma) reaction with guided cold neutron beams at the Budapest Reactor. The Na-24 gamma-ray cross sections were internally standardized with a stoichiometric NaCl target by using standard Cl-35(n,gamma)Cl-36 gamma-ray cross sections. Transitions were assigned to levels in Na-24 based primarily upon the known nuclear structure information from the literature, producing a nearly complete neutron capture decay scheme. The total radiative thermal neutron cross section sigma(0) was determined from the sum of prompt gamma-ray cross section populating the ground state as 0.540 (3) b, and from the activation gamma-ray cross sections for the decay of Na-24 as 0.542 (3) b. The isomer cross section sigma(0) (Na-23(m), t(1/2) = 20.20 ms) = 0.501 (3) b and the Na-24 neutron separation energy S-n = 6959.352 (18) keV were also determined in these experiments. New level spins and parities were proposed on the basis of new transition assignments and the systematics of reduced transition probabilities for the primary gamma rays. C1 [Firestone, R. B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Revay, Zs.; Belgya, T.] Hungarian Acad Sci, Energy Res Ctr, H-1525 Budapest, Hungary. [Revay, Zs.] Tech Univ Munich, Forschungsneutronenquelle Heinz Maier Leibnitz FR, D-80290 Munich, Germany. RP Firestone, RB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. OI Firestone, Richard/0000-0003-3833-5546 FU US Department of Energy; University of California; Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work was performed under the auspices of the US Department of Energy by the University of California, supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy at Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. NR 43 TC 2 Z9 2 U1 1 U2 16 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 JAN 30 PY 2014 VL 89 IS 1 AR 014617 DI 10.1103/PhysRevC.89.014617 PG 8 WC Physics, Nuclear SC Physics GA AC0BM UT WOS:000332159800005 ER PT J AU Abazov, VM Abbott, B Acharya, BS Adams, M Adams, T Agnew, JP Alexeev, GD Alkhazov, G Alton, A Andeen, T 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 Bu, XB Buehler, M Buescher, V Bunichev, V Burdin, S Buszello, CP Camacho-Perez, E Casey, BCK Castilla-Valdez, H Caughron, S Chakrabarti, S 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 Cwiok, M 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 Duperrin, A Dutt, S Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Eno, S Evans, H Evdokimov, VN Feng, L Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Fuess, S Garbincius, PH Garcia-Bellido, A Garcia-Gonzalez, JA 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 Gruenendahl, S Grunewald, MW Guo, F Guo, J 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 Holzbauer, JL 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 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 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 Madar, R Magana-Villalba, R Malik, S Malyshev, VL Mansour, J 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 Montgomery, HE Mulhearn, M Nagy, E Narain, M Nayyar, R Neal, HA Negret, JP Neustroev, P Nguyen, HT Nunnemann, T Orduna, J Osman, N Osta, J 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 Podstavkov, VM Popov, AV Prewitt, M Price, D Prokopenko, N Qian, J Quadt, A Quinn, B Ratoff, PN Razumov, I Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Rominsky, M Ross, A Royon, C Rubinov, P Ruchti, R Sajot, G 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 Simak, V Skubic, P Slattery, P Smirnov, D Snow, GR Snow, J Snyder, S Soldner-Rembold, S Sonnenschein, L Soustruznik, K Stark, J Tuchming, B Tully, C Uvarov, L Uvarov, S Uzunyan, S Van Kooten, R Van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA 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 Wetstein, M Williams, MRJ Wilson, GW Wobisch, M Wood, DR Wyatt, TR Xie, Y Yacoob, S 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. M. Abbott, B. Acharya, B. S. Adams, M. Adams, T. Agnew, J. P. Alexeev, G. D. Alkhazov, G. Alton, A. Andeen, T. Askew, A. Atkins, S. Augsten, K. Avila, C. Badaud, F. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, S. Barberis, E. Baringer, P. Bartlett, J. F. Bassler, U. Bazterra, V. Bean, A. Begalli, M. Bellantoni, L. Beri, S. B. Bernardi, G. Bernhard, R. Bertram, I. Besancon, M. Beuselinck, R. Bhat, P. C. Bhatia, S. Bhatnagar, V. Blazey, G. Blessing, S. Bloom, K. Boehnlein, A. Boline, D. Boos, E. E. Borissov, G. Brandt, A. Brandt, O. Brock, R. Bross, A. Brown, D. Bu, X. B. Buehler, M. Buescher, V. Bunichev, V. Burdin, S. Buszello, C. P. Camacho-Perez, E. Casey, B. C. K. Castilla-Valdez, H. Caughron, S. Chakrabarti, S. Chan, K. M. Chandra, A. Chapon, E. Chen, G. Cho, S. W. Choi, S. Choudhary, B. Cihangir, S. Claes, D. Clutter, J. Cooke, M. Cooper, W. E. Corcoran, M. Couderc, F. Cousinou, M. -C. Cutts, D. Cwiok, M. Das, A. Davies, G. De Jong, S. J. De la Cruz-Burelo, E. Deliot, F. Demina, R. 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. Duperrin, A. Dutt, S. Eads, M. Edmunds, D. Ellison, J. Elvira, V. D. Enari, Y. Eno, S. Evans, H. Evdokimov, V. N. Feng, L. Ferbel, T. Fiedler, F. Filthaut, F. Fisher, W. Fisk, H. E. Fortner, M. Fox, H. Fuess, S. Garbincius, P. H. Garcia-Bellido, A. Garcia-Gonzalez, J. 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. Grunewald, M. W. Guo, F. Guo, J. 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. Holzbauer, J. L. 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. 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. 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. Madar, R. Magana-Villalba, R. Malik, S. Malyshev, V. L. Mansour, J. 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. Montgomery, H. E. Mulhearn, M. Nagy, E. Narain, M. Nayyar, R. Neal, H. A. Negret, J. P. Neustroev, P. Nguyen, H. T. Nunnemann, T. Orduna, J. Osman, N. Osta, J. 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. Podstavkov, V. M. Popov, A. V. Prewitt, M. Price, D. Prokopenko, N. Qian, J. Quadt, A. Quinn, B. Ratoff, P. N. Razumov, I. Rijssenbeek, M. Ripp-Baudot, I. Rizatdinova, F. Rominsky, M. Ross, A. Royon, C. Rubinov, P. Ruchti, R. Sajot, G. 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. Simak, V. Skubic, P. Slattery, P. Smirnov, D. Snow, G. R. Snow, J. Snyder, S. Soldner-Rembold, S. Sonnenschein, L. Soustruznik, K. Stark, J. 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. 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. Wetstein, M. Williams, M. R. J. Wilson, G. W. Wobisch, M. Wood, D. R. Wyatt, T. R. Xie, Y. Yacoob, S. 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 W boson mass with the D0 detector SO PHYSICAL REVIEW D LA English DT Article ID FORWARD-BACKWARD ASYMMETRIES; Z-RESONANCE PARAMETERS; DECAY LIBRARY TAUOLA; CERN PBARP COLLIDER; HADRON COLLIDERS; CROSS-SECTIONS; RADIATIVE-CORRECTIONS; TRANSVERSE-MOMENTUM; QED CORRECTIONS; STANDARD MODEL AB We give a detailed description of the measurement of the W boson mass, M-W, performed on an integrated luminosity of 4.3 fb(-1), which is based on similar techniques as used for our previous measurement done on an independent data set of 1 fb(-1) of data. The data were collected using the D0 detector at the Fermilab Tevatron Collider. This data set yields 1.68 x 10(6) W -> ev candidate events. We measure the mass using the transverse mass, electron transverse momentum, and missing transverse energy distributions. The M-W measurements using the transverse mass and the electron transverse momentum distributions are the most precise of these three and are combined to give M-W 80.367 +/- 0.013 (stat) +/- 0.022(syst) GeV = 80: 367 +/- 0.026 GeV. When combined with our earlier measurement on 1 fb(-1) of data, we obtain M-W = 80.375 +/- 0.023 GeV. C1 [Maciel, A. K. A.; 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. [Han, L.; Jiang, P.; Liu, Y.; Yang, S.] 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, Prague, Czech Republic. [Kupco, A.; Lokajicek, M.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Hoeneisen, B.] Univ San Francisco Quito, Quito, Ecuador. [Badaud, F.; Gris, Ph.] Univ Blaise Pascal, LPC, CNRS, IN2P3, Clermont, France. [Sajot, G.; Stark, J.] Univ Grenoble 1, CNRS, IN2P3, LPSC,Inst Natl Polytech Grenoble, Grenoble, France. [Cousinou, M. -C.; Duperrin, A.; Geng, W.; Kajfasz, E.; Kermiche, S.; Nagy, E.; Osman, N.] Aix Marseille Univ, CNRS, CPPM, IN2P3, Marseille, France. [Grivaz, J. -F.; Guillemin, T.; Jaffre, M.; Petroff, P.] Univ Paris 11, CNRS, LAL, IN2P3, Orsay, France. [Bernardi, G.; Brown, D.; Enari, Y.; Lellouch, J.; Li, D.; Zivkovic, L.] Univ Paris 06, LPNHE, Paris, France. [Bernardi, G.; Brown, D.; Enari, Y.; Lellouch, J.; Li, D.; Zivkovic, L.] Univ Paris 07, LPNHE, Paris, France. [Bassler, U.; Besancon, M.; Chapon, E.; Couderc, F.; Deliot, F.; Grohsjean, A.; Hubacek, Z.; Royon, C.; Shary, V.; Tuchming, B.; Vilanova, D.] CEA, Irfu, SPP, Saclay, France. [Greder, S.; Miconi, F.; Ripp-Baudot, I.] Univ Strasbourg, IPHC, CNRS, IN2P3, Strasbourg, France. [Grenier, G.; Kurca, T.; Lebrun, P.] Univ Lyon 1, CNRS, IN2P3, IPNL, F-69622 Villeurbanne, France. [Grenier, G.; Kurca, T.; Lebrun, P.] Univ Lyon, Lyon, France. [Hebbeker, T.; Meyer, A.; Sonnenschein, L.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Bernhard, R.; Madar, R.] Univ Freiburg, Inst Phys, D-79106 Freiburg, Germany. [Brandt, O.; Deterre, C.; Hensel, C.; Mansour, J.; Meyer, J.; Peters, Y.; Quadt, A.; Shabalina, E.] Univ Gottingen, Inst Phys 2, Gottingen, Germany. [Buescher, V.; Fiedler, F.; Hohlfeld, M.; Weichert, J.] Johannes Gutenberg Univ Mainz, Inst Phys, Mainz, Germany. [Nunnemann, T.; Sanders, M. P.] Univ Munich, Munich, Germany. [Beri, S. B.; Bhatnagar, V.; Dutt, S.; Kohli, J. M.] Panjab Univ, Chandigarh 160014, India. [Choudhary, B.; Dubey, A.] Univ Delhi, Delhi 110007, India. [Acharya, B. S.; Banerjee, S.; Mondal, N. K.] Tata Inst Fundamental Res, Mumbai 400005, Maharashtra, India. [Cwiok, M.; Grunewald, M. W.] Univ Coll Dublin, Dublin 2, Ireland. [Cho, S. W.; Choi, S.; Jeong, M. S.; Lee, H. S.; Lim, J. K.; Park, S. K.] Korea Univ, Korea Detector Lab, Seoul, South Korea. [Camacho-Perez, E.; Castilla-Valdez, H.; De la Cruz-Burelo, E.; Garcia-Gonzalez, J. A.; Heredia-De la Cruz, I.; Luna-Garcia, R.; Magana-Villalba, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.] CINVESTAV, Mexico City 14000, DF, Mexico. [De Jong, S. J.; Filthaut, F.; Meijer, M. M.; Van Leeuwen, W. M.] NIKHEF H, NL-1009 DB Amsterdam, Netherlands. [De Jong, S. J.; Filthaut, F.; Meijer, M. M.] Radboud Univ Nijmegen, NL-6525 ED Nijmegen, Netherlands. [Abazov, V. M.; Alexeev, G. D.; Golovanov, G.; Kharzheev, Y. N.; Malyshev, V. L.; Verkheev, A. Y.; Vertogradov, L. S.; Yatsunenko, Y. A.] Joint Inst Nucl Res, Dubna, Russia. [Gavrilov, V.; Kiselevich, I.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Boos, E. E.; Bunichev, V.; Dudko, L. V.; Karmanov, D.; Kuzmin, V. A.; Merkin, M.; Perfilov, M.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Denisov, S. P.; Evdokimov, V. N.; Kozelov, A. V.; Lipaev, V. V.; Popov, A. V.; Prokopenko, N.; Razumov, I.; Shchukin, A. A.; Vasilyev, I. A.] Inst High Energy Phys, Protvino, Russia. [Alkhazov, G.; Lobodenko, A.; Neustroev, P.; Scheglov, Y.; Uvarov, L.; Uvarov, S.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Juste, A.] ICREA, Barcelona, Spain. [Juste, A.] IFAE, Barcelona, Spain. [Buszello, C. P.] Uppsala Univ, Uppsala, Sweden. [Bertram, I.; Borissov, G.; Burdin, S.; Fox, H.; Ratoff, P. N.; Ross, A.] Univ Lancaster, Lancaster LA1 4YB, England. [Beuselinck, R.; Davies, G.; Hays, J.; Jesik, R.; Jonsson, P.; Scanlon, T.] Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. [Agnew, J. P.; Harder, K.; Head, T.; Hesketh, G.; McGivern, C. L.; Petridis, K.; Price, D.; Schwanenberger, C.; Soldner-Rembold, S.; Vesterinen, M.; Wyatt, T. R.; Zhao, T. G.] Univ Manchester, Manchester M13 9PL, Lancs, England. [Das, A.; Johns, K.; Lei, X.; Nayyar, R.; Varnes, E. W.] Univ Arizona, Tucson, AZ 85721 USA. [Ellison, J.; Heinson, A. P.; Joshi, J.; Li, L.] Univ Calif Riverside, Riverside, CA 92521 USA. [Eno, S.; Wetstein, M.] Univ Maryland, College Pk, MD 20742 USA. [Adams, T.; Askew, A.; Bandurin, D. V.; Blessing, S.; Hoang, T.; Wahl, H. D.] Florida State Univ, Tallahassee, FL 32306 USA. [Bagby, L.; Baldin, B.; Bartlett, J. F.; Bellantoni, L.; Bhat, P. C.; Boehnlein, A.; Bross, A.; Bu, X. B.; Buehler, M.; Casey, B. C. K.; Cihangir, S.; Cooke, M.; Cooper, W. E.; Denisov, D.; Desai, S.; Diehl, H. T.; Diesburg, M.; Elvira, V. D.; Fisk, H. E.; Fuess, S.; Garbincius, P. H.; Ginther, G.; Greenlee, H.; Gruenendahl, S.; Gutierrez, G.; Herner, K.; Illingworth, R.; Ito, A. S.; Johnson, M.; Jonckheere, A.; Jung, A. W.; Khalatyan, N.; Lee, W. M.; Li, Q. Z.; Lincoln, D.; Lipton, R.; Lyon, A. L.; Melnitchouk, A.; Montgomery, H. E.; Penning, B.; Podstavkov, V. M.; Rominsky, M.; Rubinov, P.; Savage, G.; Verzocchi, M.; Wang, M. H. L. S.; Xie, Y.; Yamada, R.; Yasuda, T.; Ye, Z.; Yin, H.; Youn, S. W.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Adams, M.; Bazterra, V.; Gerber, C. E.; Varelas, N.] Univ Illinois, Chicago, IL 60607 USA. [Blazey, G.; Eads, M.; Feng, L.; Fortner, M.; Hedin, D.; Menezes, D.; Uzunyan, S.] No Illinois Univ, De Kalb, IL 60115 USA. [Andeen, T.; Schellman, H.; Welty-Rieger, L.; Yacoob, S.] Northwestern Univ, Evanston, IL 60208 USA. [Evans, H.; Lammers, S.; Parua, N.; Van Kooten, R.; Williams, M. R. J.; Zieminska, D.] Indiana Univ, Bloomington, IN 47405 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, IN 46323 USA. [Chan, K. M.; Hildreth, M. D.; Osta, J.; Ruchti, R.; Smirnov, D.; Warchol, J.; Wayne, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Hauptman, J. M.; Lee, S. W.] Iowa State Univ, Ames, IA 50011 USA. [Baringer, P.; Bean, A.; Chen, G.; Clutter, J.; Sekaric, J.; Wilson, G. W.] Univ Kansas, Lawrence, KS 66045 USA. [Atkins, S.; Sawyer, L.; Wobisch, M.] Louisiana Tech Univ, Ruston, LA 71272 USA. [Barberis, E.; Wood, D. R.] Northeastern Univ, Boston, MA 02115 USA. [Alton, A.; 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.; Holzbauer, J. L.; 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. [Gershtein, Y.] Rutgers State Univ, Piscataway, NJ 08855 USA. [Tully, C.] Princeton Univ, Princeton, NJ 08544 USA. [Iashvili, I.; Kharchilava, A.; Kumar, A.; Zennamo, J.] SUNY Buffalo, Buffalo, NY 14260 USA. [Demina, R.; Ding, P. F.; Ferbel, T.; Garcia-Bellido, A.; Ginther, G.; Harel, A.; Petrillo, G.; Slattery, P.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Boline, D.; Chakrabarti, S.; Grannis, P. D.; Guo, F.; Guo, J.; Hobbs, J. D.; De Sa, R. Lopes; McCarthy, R.; Rijssenbeek, M.; Schamberger, R. D.; Ye, W.] 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.; Haley, J.; Jayasinghe, A.; Severini, H.; Skubic, 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.; Narain, M.; Parihar, V.; Partridge, R.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; Howley, I.; Pal, A.] Univ Texas Arlington, Arlington, TX 76019 USA. [Ilchenko, Y.; Kehoe, R.; Liu, H.] 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 Juste, Aurelio/I-2531-2015; Yip, Kin/D-6860-2013; Li, Liang/O-1107-2015; Fisher, Wade/N-4491-2013; Santos, Angelo/K-5552-2012; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Dudko, Lev/D-7127-2012; Kupco, Alexander/G-9713-2014; Kozelov, Alexander/J-3812-2014; Lokajicek, Milos/G-7800-2014; Lei, Xiaowen/O-4348-2014; Guo, Jun/O-5202-2015; Merkin, Mikhail/D-6809-2012 OI Price, Darren/0000-0003-2750-9977; Filthaut, Frank/0000-0003-3338-2247; Bertram, Iain/0000-0003-4073-4941; Sawyer, Lee/0000-0001-8295-0605; de Jong, Sijbrand/0000-0002-3120-3367; Gershtein, Yuri/0000-0002-4871-5449; Malik, Sudhir/0000-0002-6356-2655; Qian, Jianming/0000-0003-4813-8167; Williams, Mark/0000-0001-5448-4213; Grohsjean, Alexander/0000-0003-0748-8494; Chapon, Emilien/0000-0001-6968-9828; Melnychuk, Oleksandr/0000-0002-2089-8685; Ding, Pengfei/0000-0002-4050-1753; Bassler, Ursula/0000-0002-9041-3057; Hedin, David/0000-0001-9984-215X; Juste, Aurelio/0000-0002-1558-3291; Blessing, Susan/0000-0002-4455-7279; Duperrin, Arnaud/0000-0002-5789-9825; Hoeneisen, Bruce/0000-0002-6059-4256; Yip, Kin/0000-0002-8576-4311; Beuselinck, Raymond/0000-0003-2613-7446; Heinson, Ann/0000-0003-4209-6146; grannis, paul/0000-0003-4692-2142; Blazey, Gerald/0000-0002-7435-5758; Wahl, Horst/0000-0002-1345-0401; Bean, Alice/0000-0001-5967-8674; Li, Liang/0000-0001-6411-6107; Sharyy, Viatcheslav/0000-0002-7161-2616; Dudko, Lev/0000-0002-4462-3192; Lei, Xiaowen/0000-0002-2564-8351; Guo, Jun/0000-0001-8125-9433; FU DOE (USA); NSF (USA); CEA (France); CNRS/IN2P3 (France); CIMENT (France); MON (Russia); NRC KI (Russia); RFBR (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 staffs at Fermilab and collaborating institutions, and acknowledge support from the DOE and NSF (USA); CEA, CNRS/IN2P3 and CIMENT (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 73 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 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JAN 30 PY 2014 VL 89 IS 1 AR 012005 DI 10.1103/PhysRevD.89.012005 PG 43 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AB6BN UT WOS:000331872600001 ER PT J AU Karapetyan, H Xia, J Hucker, M Gu, GD Tranquada, JM Fejer, MM Kapitulnik, A AF Karapetyan, Hovnatan Xia, Jing Huecker, M. Gu, G. D. Tranquada, J. M. Fejer, M. M. Kapitulnik, A. TI Evidence of Chiral Order in the Charge-Ordered Phase of Superconducting La(1.875)Ba(0.125)Cuo(4) Single Crystals Using Polar Kerr-Effect Measurements SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTOR; HIGH-T-C; PSEUDOGAP PHASE; TRANSITIONS AB High resolution polar Kerr effect measurements were performed on La1.875Ba0.125CuO4 single crystals revealing that a finite Kerr signal is measured below an onset temperature T-K that coincides with the charge ordering transition temperature T-CO. We further show that the sign of the Kerr signal cannot be trained with the magnetic field, is found to be the same on opposite sides of the same crystal, and is odd with respect to strain in the diagonal direction of the unit cell. These observations are consistent with a chiral "gyrotropic" order above T-c for La1.875Ba0.125CuO4; similarities to other cuprates suggest that it is a universal property in the pseudogap regime. C1 [Karapetyan, Hovnatan; Fejer, M. M.; Kapitulnik, A.] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. [Karapetyan, Hovnatan; Kapitulnik, A.] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Xia, Jing] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Huecker, M.; Gu, G. D.; Tranquada, J. M.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Kapitulnik, A.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. RP Karapetyan, H (reprint author), Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. RI Tranquada, John/A-9832-2009 OI Tranquada, John/0000-0003-4984-8857 FU Office of Basic Energy Science, Division of Materials Science and Engineering, U.S. Department of Energy (DOE), at BNL [DE-AC02-98CH10886]; Office of Basic Energy Science, Division of Materials Science and Engineering, U.S. Department of Energy (DOE), at Stanford [DE-AC02-76SF00515] FX Stimulating discussions with Zhanybek Alpichshev, Alexander Fried, Pavan Hosur, Steve Kivelson, Joseph Orenstein, Srinivas Raghu, and Chandra Varma are greatly appreciated. This work was supported by the Office of Basic Energy Science, Division of Materials Science and Engineering, U.S. Department of Energy (DOE), at BNL under Contract No. DE-AC02-98CH10886, and at Stanford under Contract No. DE-AC02-76SF00515. Construction of the Sagnac apparatus was partially supported by NSF through Stanford's CPN. NR 38 TC 33 Z9 33 U1 2 U2 33 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 JAN 30 PY 2014 VL 112 IS 4 AR 047003 DI 10.1103/PhysRevLett.112.047003 PG 5 WC Physics, Multidisciplinary SC Physics GA AB7CW UT WOS:000331947900004 PM 24580482 ER PT J AU Elsik, CG Worley, KC Bennett, AK Beye, M Camara, F Childers, CP de Graaf, DC Debyser, G Deng, JX Devreese, B Elhaik, E Evans, JD Foster, LJ Graur, D Guigo, R Hoff, KJ Holder, ME Hudson, ME Hunt, GJ Jiang, HY Joshi, V Khetani, RS Kosarev, P Kovar, CL Ma, J Maleszka, R Moritz, RFA Munoz-Torres, MC Murphy, TD Muzny, DM Newsham, IF Reese, JT Robertson, HM Robinson, GE Rueppell, O Solovyev, V Stanke, M Stolle, E Tsuruda, JM Van Vaerenbergh, M Waterhouse, RM Weaver, DB Whitfield, CW Wu, YQ Zdobnov, EM Zhang, L Zhu, DH Gibbs, RA AF Elsik, Christine G. Worley, Kim C. Bennett, Anna K. Beye, Martin Camara, Francisco Childers, Christopher P. de Graaf, Dirk C. Debyser, Griet Deng, Jixin Devreese, Bart Elhaik, Eran Evans, Jay D. Foster, Leonard J. Graur, Dan Guigo, Roderic Hoff, Katharina Jasmin Holder, Michael E. Hudson, Matthew E. Hunt, Greg J. Jiang, Huaiyang Joshi, Vandita Khetani, Radhika S. Kosarev, Peter Kovar, Christie L. Ma, Jian Maleszka, Ryszard Moritz, Robin F. A. Munoz-Torres, Monica C. Murphy, Terence D. Muzny, Donna M. Newsham, Irene F. Reese, Justin T. Robertson, Hugh M. Robinson, Gene E. Rueppell, Olav Solovyev, Victor Stanke, Mario Stolle, Eckart Tsuruda, Jennifer M. Van Vaerenbergh, Matthias Waterhouse, Robert M. Weaver, Daniel B. Whitfield, Charles W. Wu, Yuanqing Zdobnov, Evgeny M. Zhang, Lan Zhu, Dianhui Gibbs, Richard A. CA HGSC Prod Teams Honey Bee Genome Sequencing Consor TI Finding the missing honey bee genes: lessons learned from a genome upgrade SO BMC GENOMICS LA English DT Article DE Apis mellifera; GC content; Gene annotation; Gene prediction; Genome assembly; Genome improvement; Genome sequencing; Repetitive DNA; Transcriptome ID OPEN READING FRAMES; APIS-MELLIFERA; TRANSPOSABLE ELEMENTS; CLASSIFICATION-SYSTEM; PROTEIN FAMILIES; DOMAIN DATABASE; TANDEM REPEATS; DNA-SEQUENCES; SOCIAL INSECT; DRAFT GENOME AB Background: The first generation of genome sequence assemblies and annotations have had a significant impact upon our understanding of the biology of the sequenced species, the phylogenetic relationships among species, the study of populations within and across species, and have informed the biology of humans. As only a few Metazoan genomes are approaching finished quality (human, mouse, fly and worm), there is room for improvement of most genome assemblies. The honey bee (Apis mellifera) genome, published in 2006, was noted for its bimodal GC content distribution that affected the quality of the assembly in some regions and for fewer genes in the initial gene set (OGSv1.0) compared to what would be expected based on other sequenced insect genomes. Results: Here, we report an improved honey bee genome assembly (Amel_4.5) with a new gene annotation set (OGSv3.2), and show that the honey bee genome contains a number of genes similar to that of other insect genomes, contrary to what was suggested in OGSv1.0. The new genome assembly is more contiguous and complete and the new gene set includes similar to 5000 more protein-coding genes, 50% more than previously reported. About 1/6 of the additional genes were due to improvements to the assembly, and the remaining were inferred based on new RNAseq and protein data. Conclusions: Lessons learned from this genome upgrade have important implications for future genome sequencing projects. Furthermore, the improvements significantly enhance genomic resources for the honey bee, a key model for social behavior and essential to global ecology through pollination. C1 [Elsik, Christine G.] Univ Missouri, Div Anim Sci, Columbia, MO 65211 USA. [Elsik, Christine G.] Univ Missouri, Div Plant Sci, Columbia, MO 65211 USA. [Elsik, Christine G.] Univ Missouri, MU Informat Inst, Columbia, MO 65211 USA. [Elsik, Christine G.; Bennett, Anna K.; Childers, Christopher P.; Munoz-Torres, Monica C.; Reese, Justin T.] Georgetown Univ, Dept Biol, Washington, DC 20057 USA. [Worley, Kim C.; Deng, Jixin; Holder, Michael E.; Joshi, Vandita; Kovar, Christie L.; Muzny, Donna M.; Newsham, Irene F.; Wu, Yuanqing; Zhang, Lan; Zhu, Dianhui; Gibbs, Richard A.; HGSC Prod Teams] Baylor Coll Med, Human Genome Sequencing Ctr, Dept Mol & Human Genet, Houston, TX 77030 USA. [Beye, Martin] Univ Dusseldorf, Inst Evolutionary Genet, D-40225 Dusseldorf, Germany. [Camara, Francisco; Guigo, Roderic] Univ Pompeu Fabra, Ctr Genom Regulat, E-08003 Barcelona, Catalonia, Spain. [Childers, Christopher P.; Reese, Justin T.] Univ Missouri, Div Anim Sci, Columbia, MO 65211 USA. [de Graaf, Dirk C.; Van Vaerenbergh, Matthias] Univ Ghent, Lab Zoophysiol, B-9000 Ghent, Belgium. [Debyser, Griet; Devreese, Bart] Univ Ghent, Lab Prot Biochem & Biomol Engn, B-9000 Ghent, Belgium. [Elhaik, Eran] Johns Hopkins Univ, Bloomberg Sch Publ Hlth, Dept Mental Hlth, Baltimore, MD 21205 USA. [Evans, Jay D.] USDA ARS, BARC E, Bee Res Lab, Beltsville, MD 20705 USA. [Foster, Leonard J.] Univ British Columbia, Ctr High Throughput Biol, Dept Biochem & Mol Biol, Vancouver, BC V5Z 1M9, Canada. [Graur, Dan] Univ Houston, Dept Biol & Biochem, Houston, TX 77204 USA. [Hoff, Katharina Jasmin; Stanke, Mario] Ernst Moritz Arndt Univ Greifswald, Inst Math & Comp Sci, D-17487 Greifswald, Germany. [Hudson, Matthew E.] Univ Illinois, Dept Crop Sci, Urbana, IL 61801 USA. [Hudson, Matthew E.; Ma, Jian] Univ Illinois, Inst Genom Biol, Urbana, IL 61801 USA. [Hunt, Greg J.] Purdue Univ, Dept Entomol, W Lafayette, IN 47907 USA. [Jiang, Huaiyang] Univ Pittsburgh, Dept Obstet Gynecol & Reprod Sci, Pittsburgh, PA 15260 USA. [Khetani, Radhika S.] Univ Illinois, Roy J Carver Biotechnol Ctr, High Performance Biol Comp HPCBio, Urbana, IL 61801 USA. [Kosarev, Peter] Softberry Inc, Mt Kisco, NY 10549 USA. [Ma, Jian] Univ Illinois, Dept Bioengn, Urbana, IL 61801 USA. [Maleszka, Ryszard] Australian Natl Univ, Res Sch Biol, Canberra, ACT 0200, Australia. [Moritz, Robin F. A.; Stolle, Eckart] Univ Halle Wittenberg, Inst Zool, D-06099 Halle, Saale, Germany. [Munoz-Torres, Monica C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Murphy, Terence D.] NIH, Natl Ctr Biotechnol Informat, Natl Lib Med, Bethesda, MD 20894 USA. [Robertson, Hugh M.] Univ Illinois, Dept Entomol, Urbana, IL 61801 USA. [Robinson, Gene E.] Univ Illinois, Inst Genom Biol, Dept Entomol, Neurosci Program, Urbana, IL 61801 USA. [Rueppell, Olav] Univ N Carolina, Dept Biol, Greensboro, NC 27412 USA. [Solovyev, Victor] King Abdullah Univ Sci & Technol, Comp Elect & Math Sci & Engn Div, Thuwal 239556900, Saudi Arabia. [Tsuruda, Jennifer M.] Clemson Univ, Clemson, SC 29634 USA. [Waterhouse, Robert M.; Zdobnov, Evgeny M.] Univ Geneva, CH-1211 Geneva, Switzerland. [Waterhouse, Robert M.; Zdobnov, Evgeny M.] Swiss Inst Bioinformat, CMU, CH-1211 Geneva, Switzerland. [Weaver, Daniel B.] Genformatic, Austin, TX 78731 USA. [Whitfield, Charles W.] Univ Illinois, Dept Entomol, Neurosci Program, Program Ecol & Evolutionary Biol, Urbana, IL 61801 USA. RP Elsik, CG (reprint author), Univ Missouri, Div Anim Sci, Columbia, MO 65211 USA. EM elsikc@missouri.edu; kworley@bcm.edu RI Stolle, Eckart/G-3780-2011; Rueppell, Olav/G-2679-2010; Hudson, Matthew/A-4438-2008; Evans, Jay/C-8408-2012; Devreese, Bart/B-2011-2009; Camara Ferreira, Francisco/G-9841-2015; Guigo, Roderic/D-1303-2010; Waterhouse, Robert/A-1858-2010; Maleszka, Ryszard/A-6078-2008; Zdobnov, Evgeny/K-1133-2012; Elsik, Christine/C-4120-2017; Moritz, Robin/K-6053-2012 OI Childers, Anna/0000-0002-0747-8539; Childers, Chris/0000-0002-1253-5550; Solovyev, Victor/0000-0001-8885-493X; Stolle, Eckart/0000-0001-7638-4061; Rueppell, Olav/0000-0001-5370-4229; Hudson, Matthew/0000-0002-4737-0936; Evans, Jay/0000-0002-0036-4651; Devreese, Bart/0000-0002-9764-2581; Camara Ferreira, Francisco/0000-0002-1971-5466; Guigo, Roderic/0000-0002-5738-4477; Waterhouse, Robert/0000-0003-4199-9052; Maleszka, Ryszard/0000-0003-1855-555X; Elsik, Christine/0000-0002-4248-7713; Moritz, Robin/0000-0003-0791-887X FU National Human Genome Research Institute, National Institutes of Health (NHGRI, NIH) [U54 HG003273]; USDA National Institute of Food Agriculture [2010-65205-20407]; Clare Luce Booth Fellowship at Georgetown University FX Funding for the project was provided by a grant to RG from the National Human Genome Research Institute, National Institutes of Health (NHGRI, NIH) U54 HG003273. Contributions from members of the CGE lab were supported by Agriculture and Food Research Initiative Competitive grant no. 2010-65205-20407 from the USDA National Institute of Food Agriculture. AKB was supported by a Clare Luce Booth Fellowship at Georgetown University. The authors are grateful for the HGSC sequence production teams (Patil, S., Gubbala, S., Aqrawi, P., Arias, F., Bess, C., Blankenburg, K. B., Brocchini, M., Buhay, C., Challis, D., Chang, K., Chen, D., Coleman, P., Drummond, J., English, A., Evani, U., Francisco, L., Fu, Q., Goodspeed, R., Haessly, T. H., Hale, W., Han, H., Holder, M., Hu, Y., Jackson, L., Jakkamsetti, A., Jayaseelan, J. C., Kakkar, N., Kalra, D., Kandadi, H., Lee, S., Li, H., Liu, Y., Macmil, S., Mandapat, C. M., Mata, R., Mathew, T., Matskevitch, T., Munidasa, M., Nagaswamy, U., Najjar, R., Nguyen, N., Niu, J., Opheim, D., Palculict, T., Paul, S., Pellon, M., Perales, L., Pham, C., Pham, P., Pu, L.-L., Qi, S., Qu, J., Ren, Y., Ruth, R.T., Saada, N., Sabo, A., San Lucas, F., Sershen, C., Shafer, J., Shah, N., Shelton, R., Song, X.-Z., Tabassum, N., Tang, L., Taylor, A., Taylor, M., Velamala, V., Wan, Z., Wang, L., Wang, Y., Warren, J., Weissenberger, G., Wilczek-Boney, K. B., Yao, J., Yin, B., Yu, J., Zhang, J., Zhang, L., Zhou, C., Zhu, D., Zhu, Y., and Zou, X.), and the input of other members of the HGSC genome assembly team. NR 108 TC 86 Z9 87 U1 4 U2 73 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 JAN 30 PY 2014 VL 15 AR 86 DI 10.1186/1471-2164-15-86 PG 29 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA AA5DT UT WOS:000331116900002 PM 24479613 ER PT J AU Weng, HX Ma, XW Fu, FX Zhang, JJ Liu, Z Tian, LX Liu, CX AF Weng, Huan-Xin Ma, Xue-Wen Fu, Feng-Xia Zhang, Jin-Jun Liu, Zan Tian, Li-Xun Liu, Chongxuan TI Transformation of heavy metal speciation during sludge drying: Mechanistic insights SO JOURNAL OF HAZARDOUS MATERIALS LA English DT Article DE Sewage sludge drying; Heavy metal; Transformation; Stabilization ID SEQUENTIAL EXTRACTION PROCEDURE; WATER TREATMENT PLANTS; SEWAGE-SLUDGE; FRACTIONS; SEDIMENTS; SOILS; ZN; CD; NI; CU AB Speciation can fundamentally affect on the stability and toxicity of heavy metals in sludge from waste-water treatment plants. This research investigated the speciation of heavy metals in sludge from both municipal and industrial sources, and metal speciation change as a result of drying process to reduce sludge volume. The changes in sludge properties including sludge moisture content, temperature, density, and electrical conductivity were also monitored to provide insights into the mechanisms causing the change in heavy metal speciation. The results show that the drying process generally stabilized Cr, Cu, Cd, and Pb in sludge by transforming acid-soluble, reducible, and oxidizable species into structurally stable forms. Such transformation and stabilization occurred regardless of the sludge source and type, and were primarily caused by the changes in sludge properties associated with decomposition of organic matter and sulfide. The results enhanced our understanding of the geochemical behavior of heavy metals in municipal sludge, and are useful for designing a treatment system for environment-friendly disposal of sludge. (C) 2013 Elsevier B.V. All rights reserved. C1 [Weng, Huan-Xin; Fu, Feng-Xia; Zhang, Jin-Jun; Liu, Zan; Tian, Li-Xun] Zhejiang Univ, Inst Environm & Biogeochem, Hangzhou 310027, Zhejiang, Peoples R China. [Ma, Xue-Wen] Shanxi Univ, Res Inst Environm Sci, Taiyuan 030006, Peoples R China. [Liu, Chongxuan] Pacific NW Natl Lab, Geochem Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. RP Weng, HX (reprint author), Zhejiang Univ, Inst Environm & Biogeochem, Hangzhou 310027, Zhejiang, Peoples R China. EM gswenghx@zju.edu.cn; chongxuan.liu@pnnl.gov RI Liu, Chongxuan/C-5580-2009 FU National Key Technology Research and Development Program of the Ministry of Science and Technology of China [2012BAC15B03]; Key Technologies R&D Program of Zhejiang Province of China [2005C13005]; Key Scientific & Technological Program of Zhejiang Province of China [2005C23051] FX This research is supported by National Key Technology Research and Development Program of the Ministry of Science and Technology of China (2012BAC15B03), Key Technologies R&D Program of Zhejiang Province of China (2005C13005), and Key Scientific & Technological Program of Zhejiang Province of China (2005C23051). NR 24 TC 18 Z9 20 U1 9 U2 66 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3894 EI 1873-3336 J9 J HAZARD MATER JI J. Hazard. Mater. PD JAN 30 PY 2014 VL 265 BP 96 EP 103 DI 10.1016/j.jhazmat.2013.11.051 PG 8 WC Engineering, Environmental; Engineering, Civil; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA AA3UV UT WOS:000331021100011 PM 24342049 ER PT J AU Ormond, TK Scheer, AM Nimlos, MR Robichaud, DJ Daily, JW Stanton, JF Ellison, GB AF Ormond, Thomas K. Scheer, Adam M. Nimlos, Mark R. Robichaud, David J. Daily, John W. Stanton, John F. Ellison, G. Barney TI Polarized Matrix Infrared Spectra of Cyclopentadienone: Observations, Calculations, and Assignment for an Important Intermediate in Combustion and Biomass Pyrolysis SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID PHOTOELECTRON-SPECTROSCOPY; THERMAL-DECOMPOSITION; MASS-SPECTROMETRY; PERTURBATION-THEORY; SUPERSONIC JET; BASIS-SETS; RADICALS; HYDROCARBONS; DERIVATIVES; MECHANISMS AB A detailed vibrational analysis of the infrared spectra of cyclopentadienone (C5H4=O) in rare gas matrices has been carried out. Ab initio coupled-cluster anharmonic force field calculations were used to guide the assignments. Flash pyrolysis of o-phenylene sulfite (C6H4O2SO) was used to provide a molecular beam of C5H4=O entrained in a rare gas carrier. The beam was interrogated with time-of-flight photoionization mass spectrometry (PIS), confirming the clean, intense production of C5H4=O. Matrix isolation infrared spectroscopy coupled with 355 nm polarized UV for photoorientation and linear dichroism experiments was used to determine the symmetries of the vibrations. Cyclopentadienone has 24 fundamental vibrational modes, Gamma(vib) = 9a(1), circle plus 3a(2) circle plus 4b(1), circle plus 8b(2). Using vibrational perturbation theory and a deperturbation-diagonalization method, we report assignments of the following fundamental modes (cm(-1)) in a 4 K neon matrix: the a(1) modes of (X) over tilde (1)A(1), C5H4=O are found to be nu(1) = 3107, nu(2) = (3100, 3099), nu(3) = 1735, nu(5) = 1333, nu(7) = 952, nu(8) = 843, and nu(9) = 651; the inferred a(2) modes are nu(10) = 933, and nu(11), = 722; the b(1) modes are nu(13) = 932, nu(14) = 822, and nu(15) = 629; the b(2) fundamentals are nu(17) = 3143, nu(18) = (3078, 3076) nu(19) = (1601 or 1595), nu(20) = 1283, nu(21) = 1138, nu(22) = 1066, nu(23) = 738, and nu(24) = 458. The modes nu(4) and nu(6) were too weak to be detected, nu(12) is dipole-forbidden and its position cannot be inferred from combination and overtone bands, and nu(16) is below our detection range (<400 cm(-1)). Additional features were observed and compared to anharmonic calculations, assigned as two quantum transitions, and used to assign some of the weak and infrared inactive fundamental vibrations. C1 [Ormond, Thomas K.; Nimlos, Mark R.; Robichaud, David J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Ormond, Thomas K.; Ellison, G. Barney] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Scheer, Adam M.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Daily, John W.] Univ Colorado, Ctr Combust & Environm Res, Dept Mech Engn, Boulder, CO 80309 USA. [Stanton, John F.] Univ Texas Austin, Inst Theoret Chem, Dept Chem, Austin, TX 78712 USA. RP Ellison, GB (reprint author), Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. FU United States Department of Energy [DE-FG02-93ER14364]; United States Department of Energy's Office of the Biomass Program [1544759]; National Science Foundation [CHE-0848606, CHE-1112466]; Robert A. Welch Foundation [F-1283]; United States Department of Energy, Basic Energy Sciences [DE-FG02-07ER15884]; United States Department of Energy's Bioenergy Technology Office [DE-AC36-99GO10337]; National Renewable Energy Laboratory FX We offer this paper as a tribute to Dr. Marilyn E. Jacox, the Queen of Matrix Spectroscopy, who passed away on 30 October, 2013. Marilyn was one of the greatest spectroscopists of her generation and leaves behind a towering molecular legacy. As important as her spectra of molecules, ions, and clusters are the careful reviews she wrote. She was a beacon for us all. Support from the United States Department of Energy (grant: DE-FG02-93ER14364), the United States Department of Energy's Office of the Biomass Program (Contract no. 1544759) and the National Science Foundation (CHE-0848606 and CHE-1112466) for JWD, JFS, and GBE is acknowledged. JFS also acknowledges support from the Robert A. Welch Foundation (Grant F-1283) and the United States Department of Energy, Basic Energy Sciences (DE-FG02-07ER15884). MRN and DJR are supported by United States Department of Energy's Bioenergy Technology Office, under Contract No. DE-AC36-99GO10337 with the National Renewable Energy Laboratory. NR 53 TC 14 Z9 14 U1 2 U2 30 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 JAN 30 PY 2014 VL 118 IS 4 BP 708 EP 718 DI 10.1021/jp411257k PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 302ND UT WOS:000330610300006 PM 24383399 ER PT J AU Suntivich, J Hong, WT Lee, YL Rondinelli, JM Yang, WL Goodenough, JB Dabrowski, B Freeland, JW Shao-Horn, Y AF Suntivich, Jin Hong, Wesley T. Lee, Yueh-Lin Rondinelli, James M. Yang, Wanli Goodenough, John B. Dabrowski, Bogdan Freeland, John W. Shao-Horn, Yang TI Estimating Hybridization of Transition Metal and Oxygen States in Perovskites, from O K-edge X-ray Absorption Spectroscopy SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID LEVEL PHOTOEMISSION SPECTRA; ELECTRONIC-STRUCTURE; INSULATOR-TRANSITION; TRANSPORT-PROPERTIES; BAND-STRUCTURE; OXIDES; PRINCIPLES; BATTERIES; VALENCE; LACOO3 AB The interaction between the transition metal 3d and the oxygen 2p states via hybridization underpins many of the phenomena in transition metal oxide materials. We report the empirical trend of this interaction using the pre-edge feature of the 0 Kedge X-ray absorption spectrum. Our assessment method is built on the dipole approximation and the configuration interaction between the transition metal 3d and the oxygen 2p states. We found that hybridization increases with the number of 3d electrons, consistent with the expected electronegativity trend. We support this analysis with density functional calculations, which reveal a systematic increase in the transition metal 3d and the oxygen 2p state mixing with increasing 3d-electron number. Oxidation of the transition metal was also found to increase hybridization, which we believe reflects the reduced transition metal 3d and oxygen 2p energy difference, causing increased covalency. We compare the analysis from the surface-sensitive electron-yield and the bulk-sensitive fluorescence-yield spectra, revealing that either method can be used to study the hybridization trend. We finally compare and discuss the influence of the lanthanide ions and the influence of the covalency on oxygen electrocatalysis. Our study describes an efficient and simple approach to understand the hybridization trend in transition metal oxides, which has considerable implications for electrochemical energy conversion processes. C1 [Suntivich, Jin; Hong, Wesley T.; Shao-Horn, Yang] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Suntivich, Jin; Hong, Wesley T.; Lee, Yueh-Lin; Shao-Horn, Yang] MIT, Dept Mech Engn, Electrochem Energy Lab, Cambridge, MA 02139 USA. [Rondinelli, James M.] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Yang, Wanli] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Goodenough, John B.] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. [Dabrowski, Bogdan] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Freeland, John W.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Suntivich, J (reprint author), Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14850 USA. EM jsuntivich@cornell.edu; shaohorn@mit.edu RI Rondinelli, James/A-2071-2009; Hong, Wesley/H-1102-2014; Yang, Wanli/D-7183-2011; LEE, YUEH-LIN/F-6274-2011; OI Rondinelli, James/0000-0003-0508-2175; Yang, Wanli/0000-0003-0666-8063; LEE, YUEH-LIN/0000-0003-2477-6412; Goodenough, John Bannister/0000-0001-9350-3034 FU DOE Basic Energy Science [SISGR DE-SC0002633]; DOE Hydrogen Initiative Program [DE-FG02-05ER15728]; Toyota Motor Company; Chesonis Foundation Fellowship (MIT); Ziff Environmental Fellowship (Harvard); Robert A. Welch Foundation, Houston, TX; ARO [W911NF-12-1-0133]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported in part by DOE Basic Energy Science (SISGR DE-SC0002633), by the DOE Hydrogen Initiative Program under Award No. DE-FG02-05ER15728, and Toyota Motor Company. J.S. was supported in part by the Chesonis Foundation Fellowship (MIT) and the Ziff Environmental Fellowship (Harvard). J.B.G was supported by the Robert A. Welch Foundation, Houston, TX. J.M.R. acknowledges funding from ARO (W911NF-12-1-0133). We thank Alexis Grimaud, Kevin J. May, Kelsey A. Stoerzinger, Paul Olalde-Velasco, and Naoaki Yabuuchi for their help with the experimental measurements. 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. Work at the Advanced Photon Source is supported by the U.S. Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. NR 35 TC 38 Z9 38 U1 10 U2 101 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 JAN 30 PY 2014 VL 118 IS 4 BP 1856 EP 1863 DI 10.1021/jp410644j PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 302NC UT WOS:000330610200012 ER PT J AU Axnanda, S Zhu, ZW Zhou, WP Mao, BH Chang, R Rani, S Crumlin, E Somorjai, G Liu, Z AF Axnanda, Stephanus Zhu, Zhongwei Zhou, Weiping Mao, Baohua Chang, Rui Rani, Sana Crumlin, Ethan Somorjai, Gabor Liu, Zhi TI In Situ Characterizations of Nanostructured SnOx/Pt(111) Surfaces Using Ambient-Pressure XPS (APXPS) and High-Pressure Scanning Tunneling Microscopy (HPSTM) SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID LAYER ASSISTED DEPOSITION; ETHANOL ELECTROOXIDATION; CATALYTIC-OXIDATION; OXIDE NANOPARTICLES; GOLD CLUSTERS; GAS SENSORS; TIN; INTERFACE; AU(111); GROWTH AB We have conducted in situ measurement of "inverse catalysts" of SnOx nanostructures supported on Pt(111) using ambient-pressure X-ray photoelectron spectroscopy (APXPS) and high-pressure scanning tunneling microscopy (HPSTM) techniques under CO exposure at room temperature and 450 K. Nanostructures of SnOx were prepared by depositing Sri on Pt(111) precovered by O-2 layers at liquid nitrogen temperature. APXPS data show that the prepared SnOx nanoparticles are highly reduced, with Sn2+ being the dominant oxide species. The relative Sn(2+)concentration, compared to Sn4+ and Sn-0 in the SnOx nanoparticles decreases slightly with increasing Sn coverage. In situ study of SnOx/Pt(111) inverse catalyst shows that for lower coverage of SnOx (0.25 monolayers (ML)), the amount of Sn2+ decreased steadily, while Sn-0 amount steadily increased with negligible Sn4+ amount, as the surface was heated under CO exposure at 450 K. Meanwhile, for the higher coverage (1.0 ML), the decrease of Sn2+ is followed by sharp increase in the amount of Sn4+ and Sn-0. HPSTM images show that small islands of SnOx are randomly formed on the substrate, with the size and density increasing with SnOx coverage. HPSTM images show morphology differences between low and high coverages of SnOx on Pt(111) under both UHV and CO exposure conditions. C1 [Axnanda, Stephanus; Mao, Baohua; Chang, Rui; Rani, Sana; Crumlin, Ethan; Liu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Zhu, Zhongwei; Somorjai, Gabor] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Zhu, Zhongwei; Somorjai, Gabor] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Zhou, Weiping] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Chang, Rui; Liu, Zhi] Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China. RP Axnanda, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM saxnanda@lbl.gov; zliu2@lbl.gov RI zhou, weiping/C-6832-2012; Liu, Zhi/B-3642-2009 OI zhou, weiping/0000-0002-8058-7280; Liu, Zhi/0000-0002-8973-6561 FU Office of Energy Research, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; ALS Postdoctoral Fellowship Program; National Natural Science Foundation of China [11227902] FX The Advanced Light Source is supported by the Director, Office of Energy Research, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract DE-AC02-05CH11231. The HP-STM work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract DE-AC02-05CH11231. S.A. and E.J.C. acknowledge the support of ALS Postdoctoral Fellowship Program. B.M., R.C. are supported by National Natural Science Foundation of China under contract No. 11227902. NR 42 TC 10 Z9 10 U1 10 U2 79 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 JAN 30 PY 2014 VL 118 IS 4 BP 1935 EP 1943 DI 10.1021/jp409272j PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 302NC UT WOS:000330610200022 ER PT J AU Long, H King, PW Chang, CH AF Long, Hai King, Paul W. Chang, Christopher H. TI Proton Transport in Clostridium pasteurianum [FeFe] Hydrogenase I: A Computational Study SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID CYTOCHROME-C-OXIDASE; FREE-ENERGY CALCULATIONS; CARBONIC-ANHYDRASE INSIGHTS; HISTOGRAM ANALYSIS METHOD; MOLECULAR-DYNAMICS; ACTIVE-SITE; NIFE HYDROGENASE; H-2 PRODUCTION; H-CLUSTER; PATHWAYS AB To better understand the proton transport through the H-2 production catalysts, the [FeFe] hydrogenases, we have undertaken a modeling and simulation study of the proton transfer processes mediated by amino acid side-chain residues in hydrogenase I from Clostridium pasteurianum. Free-energy calculation studies show that the side chains of two conserved glutamate residues, Glu-279 and Glu-282, each possess two stable conformations with energies that are sensitive to protonation state. Coordinated conformational changes of these residues can form a proton shuttle between the surface Glu-282 and Cys-299, which is the penultimate proton donor to the catalytic H-cluster. Calculated acid dissociation constants are consistent with a proton relay connecting the H-cluster to the bulk solution. The complete proton-transport process from the surface-disposed Glu-282 to Cys-299 is studied using coupled semiempirical quantum-mechanical/classical-mechanical dynamics. Two-dimensional free-energy maps show the mechanisms of proton transport, which involve Glu-279, Ser-319, and a short internal water relay to connect functionally Glu-282 with the H-cluster. The findings of conformational bistability, PT event coupling with pK(a) mismatch, and water participation have implications in the design of artificial water reduction or general electrocatalytic H-2-production catalysts. C1 [Long, Hai; King, Paul W.; Chang, Christopher H.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Long, H (reprint author), Natl Renewable Energy Lab, MS ESIF301,15013 Denver West Pkwy, Golden, CO 80401 USA. EM Hai.Long@nrel.gov RI King, Paul/D-9979-2011; Long, Hai/C-5838-2015 OI King, Paul/0000-0001-5039-654X; FU U.S. Department of Energy's Office of Basic Energy Sciences, Division of Chemical Sciences, Geo-sciences, and Biosciences; U.S. Department of Energy [DE-AC36-08-GO28308]; U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy FX We are grateful to the U.S. Department of Energy's Office of Basic Energy Sciences, Division of Chemical Sciences, Geo-sciences, and Biosciences for project funding. This work was performed at the National Renewable Energy Laboratory under U.S. Department of Energy Contract No. DE-AC36-08-GO28308. High-performance computational resources were provided through the National Renewable Energy Laboratory's Computational Science Center with funding from the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy. NR 58 TC 14 Z9 14 U1 1 U2 35 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 JAN 30 PY 2014 VL 118 IS 4 BP 890 EP 900 DI 10.1021/jp408621r PG 11 WC Chemistry, Physical SC Chemistry GA 302NE UT WOS:000330610400004 PM 24405487 ER PT J AU Guo, JC Mahurin, SM Baker, GA Hillesheim, PC Dai, S Shaw, RW AF Guo, Jianchang Mahurin, Shannon M. Baker, Gary A. Hillesheim, Patrick C. Dai, Sheng Shaw, Robert W. TI Influence of Solute Charge and Pyrrolidinium Ionic Liquid Alkyl Chain Length on Probe Rotational Reorientation Dynamics SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SENSITIZED SOLAR-CELLS; FLUORESCENCE ANISOTROPY; 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE; ORGANIZED STRUCTURE; IMIDAZOLIUM CATION; DIFFUSION; NONPOLAR; ANION; ELECTROLYTE; CONVERSION AB In recent years, the effect of molecular charge on the rotational dynamics of probe solutes in room-temperature ionic liquids (RTILs) has been a subject of growing interest. For the purpose of extending our understanding of charged solute behavior within RTILs, we have studied the rotational dynamics of three illustrative xanthene fluorescent probes within a series of N-alkylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([C(n)mpyr][Tf2N]) RTILs with different n-alkyl chain lengths (n = 3, 4, 6, 8, or 10) using time-resolved fluorescence anisotropy decay. The rotational dynamics of the neutral probe rhodamine B (RhB) dye lies between the stick and slip boundary conditions due to the influence of specific hydrogen bonding interactions. The rotation of the negatively charged sulforhodamine 640 (SR640) is slower than that of its positively charged counterpart rhodamine 6G (R6G). An analysis based upon Stokes-Einstein-Debye hydrodynamics indicates that SR640 adheres to stick boundary conditions due to specific interactions, whereas the faster rotation of R6G is attributed to weaker electrostatic interactions. No significant dependence of the rotational dynamics on the solvent alkyl chain length was observed for any of the three dyes, suggesting that the specific interactions between dyes and RTILs are relatively independent of this solvent parameter. C1 [Guo, Jianchang; Mahurin, Shannon M.; Hillesheim, Patrick C.; Dai, Sheng; Shaw, Robert W.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Baker, Gary A.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. RP Shaw, RW (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM shawrw@ornl.gov RI Baker, Gary/H-9444-2016; Dai, Sheng/K-8411-2015 OI Baker, Gary/0000-0002-3052-7730; Dai, Sheng/0000-0002-8046-3931 FU Fluid Interface Reactions, Structures, and Transport (FIRST) Center, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX The work was supported as part of the Fluid Interface Reactions, Structures, and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 55 TC 14 Z9 14 U1 5 U2 40 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 JAN 30 PY 2014 VL 118 IS 4 BP 1088 EP 1096 DI 10.1021/jp4107553 PG 9 WC Chemistry, Physical SC Chemistry GA 302NE UT WOS:000330610400025 PM 24401127 ER PT J AU Alam, TM Pearce, CJ AF Alam, Todd M. Pearce, Charles J. TI Impact of graphene incorporation on the orientational order of graphene/liquid crystal composites SO CHEMICAL PHYSICS LETTERS LA English DT Article ID NEMATIC LIQUID-CRYSTALS; CARBON NANOTUBES; PHASE-TRANSITIONS; SHEETS; OXIDE; NANOPARTICLES; SOLVENT; NMR AB H-2 NMR spectroscopy was used to characterize changes in the liquid crystal (LC) phase behavior and orientational order resulting from the dispersion of graphene nanoplatelets within the nematic 4-cyano-4'-n-pentyl- biphenyl (5CB) liquid crystal. The graphene/5CB composites revealed a decreased isotropic to nematic phase transition temperature (T-IN) and a reduction in LC orientational order, with increasing graphene volume fraction. In contrast, the graphene/benzene/5CB composites revealed both an increased TIN and an increase in the LC orientational order with graphene addition. These changes result from anisotropic surface interactions between the graphene nanoplatelets and LC, and are discussed in terms of the mean-field theory for nanoparticle doped LCs. (C) 2013 Elsevier B.V. All rights reserved. C1 [Alam, Todd M.; Pearce, Charles J.] Sandia Natl Labs, Dept Elect Opt & Nanostruct Mat, Albuquerque, NM 87123 USA. RP Alam, TM (reprint author), Sandia Natl Labs, Dept Elect Opt & Nanostruct Mat, MS 0886, Albuquerque, NM 87123 USA. EM tmalam@sandia.gov FU Sandia's LDRD program FX The authors acknowledge the assistance of Kim Childress in prepping the organic solvent dispersions, and Kathy Alam for assistance in obtaining the optical micrographs. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Security Administration. This work was funded entirely by Sandia's LDRD program. NR 34 TC 9 Z9 9 U1 5 U2 60 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 EI 1873-4448 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD JAN 30 PY 2014 VL 592 BP 7 EP 13 DI 10.1016/j.cplett.2013.11.044 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 295IS UT WOS:000330110400002 ER PT J AU McSweeney, S AF McSweeney, Sean TI Sophisticated synchrotrons SO NATURE LA English DT Editorial Material C1 Brookhaven Natl Lab, Dept Photon Sci, Upton, NY 11973 USA. RP McSweeney, S (reprint author), Brookhaven Natl Lab, Dept Photon Sci, Upton, NY 11973 USA. EM smcsweeney@bnl.gov FU NIGMS NIH HHS [R01 GM095583] NR 0 TC 4 Z9 4 U1 0 U2 6 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD JAN 30 PY 2014 VL 505 IS 7485 BP 620 EP 620 PG 1 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 298JV UT WOS:000330321000023 PM 24476881 ER PT J AU Trinter, F Schoffler, MS Kim, HK Sturm, FP Cole, K Neumann, N Vredenborg, A Williams, J Bocharova, I Guillemin, R Simon, M Belkacem, A Landers, AL Weber, T Schmidt-Bocking, H Dorner, R Jahnke, T AF Trinter, F. Schoeffler, M. S. Kim, H-K Sturm, F. P. Cole, K. Neumann, N. Vredenborg, A. Williams, J. Bocharova, I. Guillemin, R. Simon, M. Belkacem, A. Landers, A. L. Weber, Th. Schmidt-Boecking, H. Doerner, R. Jahnke, T. TI Resonant Auger decay driving intermolecular Coulombic decay in molecular dimers SO NATURE LA English DT Article ID POTENTIAL-ENERGY SURFACE; RARE-GAS DIMERS; MOMENTUM SPECTROSCOPY; RECOIL-ION; AB-INITIO; ELECTRONS; EXCITATION; CLUSTERS; WATER; CO AB In 1997, it was predicted(1) that an electronically excited atom or molecule placed in a loosely bound chemical system (such as a hydrogen-bonded or van-der-Waals- bonded cluster) could efficiently decay by transferring its excess energy to a neighbouring species that would then emit a low-energy electron. This intermolecular Coulombic decay (ICD) process has since been shown to be a common phenomenon(2-12), raising questions about its role in DNA damage induced by ionizing radiation, in which low-energy electrons are known to play an important part(13,14). It was recently suggested(15) that ICD can be triggered efficiently and site-selectively by resonantly core-exciting a target atom, which then transforms through Auger decay into an ionic species with sufficiently high excitation energy to permit ICD to occur. Here we show experimentally that resonant Auger decay can indeed trigger ICD in dimers of both molecular nitrogen and carbon monoxide. By using ion and electron momentum spectroscopy to measure simultaneously the charged species created in the resonant-Auger-driven ICD cascade, we find that ICD occurs in less time than the 20 femtoseconds it would take for individual molecules to undergo dissociation. Our experimental confirmation of this process and its efficiency may trigger renewed efforts to develop resonant X-ray excitation schemes(16,17) for more localized and targeted cancer radiation therapy. C1 [Trinter, F.; Schoeffler, M. S.; Kim, H-K; Sturm, F. P.; Cole, K.; Neumann, N.; Vredenborg, A.; Schmidt-Boecking, H.; Doerner, R.; Jahnke, T.] Goethe Univ Frankfurt, Inst Kernphys, D-60438 Frankfurt, Germany. [Schoeffler, M. S.; Sturm, F. P.; Bocharova, I.; Belkacem, A.; Weber, Th.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Williams, J.; Landers, A. L.] Auburn Univ, Dept Phys, Auburn, AL 36849 USA. [Guillemin, R.; Simon, M.] UPMC, F-75005 Paris, France. [Guillemin, R.; Simon, M.] CNRS, UMR 7614, Lab Chim Phys Mat & Rayonnement, F-75005 Paris, France. RP Jahnke, T (reprint author), Goethe Univ Frankfurt, Inst Kernphys, Max Von Laue Str 1, D-60438 Frankfurt, Germany. EM trinter@atom.uni-frankfurt.de; jahnke@atom.uni-frankfurt.de RI Doerner, Reinhard/A-5340-2008; Schoeffler, Markus/B-6261-2008 OI Doerner, Reinhard/0000-0002-3728-4268; Schoeffler, Markus/0000-0001-9214-6848 FU Deutsche Forschungsgemeinschaft; Deutscher Akademischer Austauschdienst; Division of Chemical Sciences, Geosciences, and Biosciences of the US Department of Energy at the Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231]; Alexander von Humboldt foundation FX This work was supported by the Deutsche Forschungsgemeinschaft and the Deutscher Akademischer Austauschdienst. We thank the staff of the Advanced Light Source for excellent support during the beam time. 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 the Lawrence Berkeley National Laboratory under contract number DE-AC02-05CH11231. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under contract number DE-AC02-05CH11231. We thank K. Gokhberg and L. Cederbaum for suggesting this experiment and for many discussions. M.S.S. thanks the Alexander von Humboldt foundation for financial support. NR 29 TC 44 Z9 44 U1 6 U2 62 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD JAN 30 PY 2014 VL 505 IS 7485 BP 664 EP 666 DI 10.1038/nature12927 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 298JV UT WOS:000330321000037 PM 24362568 ER PT J AU Chen, M Rowland, JC Wilson, CJ Altmann, GL Brumby, SP AF Chen, Min Rowland, Joel C. Wilson, Cathy J. Altmann, Garrett L. Brumby, Steven P. TI Temporal and spatial pattern of thermokarst lake area changes at Yukon Flats, Alaska SO HYDROLOGICAL PROCESSES LA English DT Article DE thermokarst lakes; temporal and spatial analysis; climatic change; ice-jam flooding; permafrost; Yukon Flats in Alaska ID ARCTIC COASTAL-PLAIN; IMAGE FEATURE-EXTRACTION; RIVER-ICE HYDROLOGY; MCMURDO DRY VALLEYS; CLIMATE-CHANGE; ACTIVE-LAYER; DISCONTINUOUS PERMAFROST; THAW LAKES; NORTH SLOPE; WATER AB To better understand the linkage between lake area change, permafrost conditions and intra-annual and inter-annual variability in climate, we explored the temporal and spatial patterns of lake area changes for a 422382-ha study area within Yukon Flats, Alaska using Landsat images of 17 dates between 1984 and 2009. Only closed basin lakes were used in this study. Among the 3529 lakes greater than 1 ha, closed basin lakes accounted for 65% by number and 50% by area. A multiple linear regression model was built to quantify the temporal change in total lake area with consideration of its intra-annual and inter-annual variability. The results showed that 80.7% of lake area variability was attributed to intra-annual and inter-annual variability in local water balance and mean temperature since snowmelt (interpreted as a proxy for seasonal thaw depth). Another 14.3% was associated with long-term change. Among 2280 lakes, 350 lakes shrank, and 103 lakes expanded. The lakes with similar change trends formed distinct clusters, so did the lakes with similar short term intra-annual and inter-annual variability. By analysing potential factors driving lake area changes including evaporation, precipitation, indicators for regional permafrost change, and flooding, we found that ice-jam flooding events were the most likely explanation for the observed temporal pattern. In addition to changes in the frequency of ice jam flooding events, the observed changes of individual lakes may be influenced by local variability in permafrost distributions and/or degradation. Copyright (c) 2012 John Wiley & Sons, Ltd. C1 [Chen, Min; Rowland, Joel C.; Wilson, Cathy J.; Altmann, Garrett L.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Altmann, Garrett L.] Univ Alaska, Dept Forest Sci, Fairbanks, AK 99701 USA. [Brumby, Steven P.] Los Alamos Natl Lab, Div Intelligence & Space Res, Los Alamos, NM USA. RP Chen, M (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM min@lanl.gov FU Department of Energy Office of Science, Office of Biological and Environmental Research; National Science Foundation FX Funding for this research was provided by the Department of Energy Office of Science, Office of Biological and Environmental Research. Borehole data on permafrost temperature was provided by NCAR/EOL under sponsorship of the National Science Foundation. We are thankful for the helpful comments and suggestions provided by two anonymous reviewers and Editor Malcolm G Anderson. We also thank Lauren M. Charsley-Groffman for her help with extraction of lakes from Landsat images. NR 71 TC 11 Z9 11 U1 3 U2 41 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0885-6087 EI 1099-1085 J9 HYDROL PROCESS JI Hydrol. Process. PD JAN 30 PY 2014 VL 28 IS 3 BP 837 EP 852 DI 10.1002/hyp.9642 PG 16 WC Water Resources SC Water Resources GA 284WN UT WOS:000329352400036 ER PT J AU Carr, AE Loague, K VanderKwaak, JE AF Carr, Adrianne E. Loague, Keith VanderKwaak, Joel E. TI Hydrologic-response simulations for the North Fork of Caspar Creek: second-growth, clear-cut, new-growth, and cumulative watershed effect scenarios SO HYDROLOGICAL PROCESSES LA English DT Article DE Integrated Hydrology Model; InHM; Caspar Creek Experimental Watershed; cumulative watershed effect; hydrologic-response simulation ID NORTHWESTERN CALIFORNIA; CATCHMENT; STREAMFLOW; MODEL AB This study demonstrates that comprehensive hydrologic-response simulation can be a useful tool for studying cumulative watershed effects. The simulations reported here were conducted with the Integrated Hydrology Model (InHM). The location of the 473ha study site is the North Fork of the Caspar Creek Experimental Watershed, near Fort Bragg, California. Existing information from a long-term monitoring programme and new soil-hydraulic property measurements made for this study were used to parameterize InHM. Long-term continuous wet-season simulations were conducted for the North Fork catchments and main stem for second-growth, clear-cut and new-growth scenarios. The simulation results show that the increases and decreases, respectively, for throughfall and potential evapotranspiration related to clear-cutting had quantifiable impacts on the simulated hydrologic response at both the catchment and watershed scales. Model performance was best for the new-growth simulation scenarios. To improve upon the simulations reported here would require additional soil-hydraulic property information from across the study area. Although principally focused on the integrated hydrologic response, the effort reported here demonstrates the potential for characterizing distributed responses with physics-based simulation. The search for a comprehensive understanding of hydrologic response will require both data-intensive discovery and concept-development simulation, from both integrated and distributed perspectives. Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Carr, Adrianne E.; Loague, Keith; VanderKwaak, Joel E.] Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. [Carr, Adrianne E.] Argonne Natl Lab, Argonne, IL 60439 USA. [VanderKwaak, Joel E.] Nivio Amer Corp, Palo Alto, CA USA. RP Loague, K (reprint author), Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. EM kloague@stanford.edu FU U.S. Environmental Protection Agency STAR Fellowship; ARCS Fellowship; Stanford Graduate Fellowship; Argonne National Laboratory, under U.S. Department of Energy [DE-AC02-06CH11357] FX The first author is grateful for a U.S. Environmental Protection Agency STAR Fellowship, an ARCS Fellowship and a Stanford Graduate Fellowship. The study would not have been possible without the cooperation of Bob Abrams, Rand Eads, Sue Hilton, Elizabeth Keppeler, Jack Lewis, Tom Lisle, Leslie Reid and Robert Ziemer. The in-the-field heroics of Adam Abeles, Jennifer Aspittle, Laurie Benson, Brian Ebel, Chris Heppner, Ben Kozlowicz, Ben Mirus, Jon Sack, Richard Watts and Kirsten White are greatly appreciated. The effort was supported by Argonne National Laboratory, under U.S. Department of Energy contract DE-AC02-06CH11357. Comments by Professor Malcolm Anderson on an earlier version of this manuscript were helpful. NR 45 TC 5 Z9 5 U1 2 U2 12 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0885-6087 EI 1099-1085 J9 HYDROL PROCESS JI Hydrol. Process. PD JAN 30 PY 2014 VL 28 IS 3 BP 1476 EP 1494 DI 10.1002/hyp.9697 PG 19 WC Water Resources SC Water Resources GA 284WN UT WOS:000329352400085 ER PT J AU Zhang, J Zhang, Y Mara, NA Lou, J Nicola, L AF Zhang, J. Zhang, Y. Mara, N. A. Lou, J. Nicola, L. TI Direct nanoimprinting of single crystalline gold: Experiments and dislocation dynamics simulations SO APPLIED SURFACE SCIENCE LA English DT Article DE Nanoimprinting; Experiments; Dislocation dynamics simulations ID STRAIN GRADIENT PLASTICITY; THIN-FILMS; DISCRETE DISLOCATION; LENGTH SCALE; INDENTATION; NANOINDENTATION; LITHOGRAPHY; DEFORMATION; FABRICATION; CONTACT AB This paper addresses the feasibility of direct nanoimprinting and highlights the challenges involved in this technique. Our study focuses on experimental work supported by dislocation dynamics simulations. A gold single crystal is imprinted by a tungsten indenter patterned with parallel lines of various spacings. Dedicated dislocation dynamics simulations give insight in the plastic deformation occurring into the crystal during imprinting. We find that good pattern transfer is achieved when the lines are sufficiently spaced such that dislocation activity can be effective in assisting deformation of the region underneath each line. Yet, the edges of the obtained imprints are not smooth, partly due to dislocation glide. (C) 2013 Elsevier B. V. All rights reserved. C1 [Zhang, J.; Lou, J.] Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77005 USA. [Zhang, Y.; Nicola, L.] Delft Univ Technol, Dept Mat Sci & Engn, NL-2628 CD Delft, Netherlands. [Mara, N. A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Nicola, L (reprint author), Delft Univ Technol, Dept Mat Sci & Engn, NL-2628 CD Delft, Netherlands. EM l.nicola@tudelft.nl RI Mara, Nathan/J-4509-2014; Nicola, Lucia/B-7140-2008 FU Dutch National Scientific Foundation NWO [08120]; Dutch Technology Foundation STW [08120]; Air Force Office of Sponsored Research (AFOSR) [FA9550-09-1-0084]; NSF [DMR-1128818]; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX L.N. is grateful to the Dutch National Scientific Foundation NWO and Dutch Technology Foundation STW for their financial support (VENI grant 08120). J.L. gratefully acknowledges the financial support by the Air Force Office of Sponsored Research (AFOSR) YIP award FA9550-09-1-0084 and by NSF grant DMR-1128818. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 35 TC 1 Z9 1 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-4332 EI 1873-5584 J9 APPL SURF SCI JI Appl. Surf. Sci. PD JAN 30 PY 2014 VL 290 BP 301 EP 307 DI 10.1016/j.apsusc.2013.11.072 PG 7 WC Chemistry, Physical; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 280VY UT WOS:000329060100045 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 Hartl, C Hormann, N Hrubec, J Jeitler, M Kiesenhofer, W Knunz, V Krammer, M Kratschmer, I Liko, D Mikulec, I Rabady, D Rahbaran, B Rohringer, H 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 Heracleous, N Kalogeropoulos, A Keaveney, J Kim, TJ Lowette, S Maes, M Olbrechts, A Strom, D Tavernier, S Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Caillol, C Clerbaux, B De Lentdecker, G Favart, L Gay, APR Hreus, T Leonard, A Marage, PE Mohammadi, A Pernie, L Reis, T Seva, T Thomas, L Vander Velde, C Vanlaer, P Wang, J Adler, V Beernaert, K Benucci, L Cimmino, A Costantini, S Dildick, S Garcia, G Klein, B Lellouch, J Mccartin, J Rios, AAO Ryckbosch, D Sigamani, M Strobbe, N Thyssen, F Tytgat, M Walsh, S Yazgan, E Zaganidis, N Basegmez, S Beluffi, C Bruno, G Castello, R Caudron, A Ceard, L Da Silveira, GG Delaere, C du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Jez, P Komm, M Lemaitre, V Liao, J Militaru, O Nuttens, C Pagano, D Pin, A Piotrzkowski, K Popov, A Quertenmont, L Selvaggi, M Marono, MV Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alves, GA 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, WL Santaolalla, J Santoro, A Sznajder, A Manganote, EJT Pereira, AV Bernardes, CA Dias, FA Tomei, TRFP Gregores, EM Lagana, C Mercadante, PG Novaes, SF Padula, SS Genchev, V Iaydjiev, P Marinov, A Piperov, S Rodozov, M Sultanov, G Vutova, M Dimitrov, A Glushkov, I Hadjiiska, R Kozhuharov, V Litov, L Pavlov, B Petkov, P Bian, JG Chen, GM Chen, HS Chen, M Du, R Jiang, CH Liang, D Liang, S Meng, X Plestina, R Tao, J Wang, X Wang, Z Asawatangtrakuldee, C Ban, Y Guo, Y Li, Q Li, W Liu, S Mao, Y Qian, SJ Wang, D Zhang, L Zou, W Avila, C Montoya, CAC Sierra, LFC Florez, C Gomez, JP Moreno, BG Sanabria, JC Godinovic, N Lelas, D Polic, D Puljak, I Antunovic, Z Kovac, M Brigljevic, V Kadija, K Luetic, J Mekterovic, D Morovic, S Tikvica, L Attikis, A Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, F Razis, PA Finger, M Finger, M Abdelalim, AA Assran, Y Elgammal, S Kamel, AE Mahmoud, MA Radi, A Kadastik, M Muntel, M Murumaa, M Raidal, M Rebane, L Tiko, A Eerola, P Fedi, G Voutilainen, M Harkonen, J Karimaki, V Kinnunen, R Kortelainen, MJ Lampen, T Lassila-Perini, K Lehti, S Linden, T Luukka, P Maenpaa, T Peltola, T Tuominen, E Tuominiemi, J Tuovinen, E Wendland, L Tuuva, T Besancon, M Couderc, F Dejardin, M Denegri, D Fabbro, B Faure, JL Ferri, F Ganjour, S Givernaud, A Gras, P de Monchenault, GH Jarry, P Locci, E Malcles, J Nayak, A Rander, J Rosowsky, A Titov, M Baffioni, S Beaudette, F 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 Yilmaz, Y Zabi, A Agram, JL Andrea, J Bloch, D Brom, JM Chabert, EC Collard, C Conte, E Drouhin, F Fontaine, JC Gele, D Goerlach, U Goetzmann, C Juillot, P Le Bihan, AC Van Hove, P Gadrat, S Beauceron, S Beaupere, N Boudoul, G Brochet, S Chasserat, J Chierici, R Contardo, D Depasse, P El Mamouni, H Fan, J Fay, J Gascon, S Gouzevitch, M Ille, B Kurca, T Lethuillier, M 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CA CMS Collaboration TI Search for new physics in events with same-sign dileptons and jets in pp collisions at root s=8 TeV SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Supersymmetry; Hadron-Hadron Scattering ID GLUINO PRODUCTION; SQUARK AB A search for new physics is performed based on events with jets and a pair of isolated, same-sign leptons. The results are obtained using a sample of proton-proton collision data collected by the CMS experiment at a centre-of-mass energy of 8TeV at the LHC, corresponding to an integrated luminosity of 19.5 fb(-1). In order to be sensitive to a wide variety of possible signals beyond the standard model, multiple search regions defined by the missing transverse energy, the hadronic energy, the number of jets and b-quark jets, and the transverse momenta of the leptons in the events are considered. No excess above the standard model background expectation is observed and constraints are set on a number of models for new physics, as well as on the same-sign top-quark pair and quadruple-top-quark production cross sections. Information on event selection efficiencies is also provided, so that the results can be used to confront an even broader class of new physics models. 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. M.; Hartl, C.; Hoermann, N.; Hrubec, J.; Jeitler, M.; Kiesenhofer, W.; Knuenz, V.; Krammer, M.; Kraetschmer, I.; Liko, D.; Mikulec, I.; Rabady, D.; Rahbaran, B.; Rohringer, H.; Schoefbeck, R.; Strauss, J.; Taurok, A.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C. -E.] Inst Hochenergiephys OeAW, Vienna, Austria. [Mossolov, V.; Shumeiko, N.; Gonzalez, J. 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T.; Manzoni, R. A.; Martelli, A.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20133 Milan, Italy. [Dinardo, M. E.; Fiorendi, S.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Manzoni, R. A.; Martelli, A.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Cavallo, N.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] Ist Nazl Fis Nucl, Sez Napoli, I-80125 Naples, Italy. [Iorio, A. O. M.] Univ Naples Federico II, Naples, Italy. [Cavallo, N.] 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.; Passaseo, M.; Pazzini, J.; Pegoraro, M.; 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.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Kanishchev, K.; Lazzizzera, I.; 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.] 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.] Univ Perugia, I-06100 Perugia, Italy. [Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Fiori, F.; Foa, L.; Giassi, A.; Grippo, M. T.; Kraan, A.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Moon, C. S.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Vernieri, C.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy. [Martini, L.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Broccolo, G.; Fiori, F.; Foa, L.; Ligabue, F.; Rizzi, A.; Vernieri, C.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; Del Re, D.; Diemoz, M.; Grassi, M.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Rovelli, C.; Soffi, L.; Traczyk, P.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Grassi, M.; Longo, E.; Margaroli, F.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Rahatlou, S.; Soffi, L.; Traczyk, P.] Univ Rome, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bellan, R.; Biino, C.; Cartiglia, N.; Casasso, S.; Costa, M.; Degano, A.; Demaria, N.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Ortona, G.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Amapane, N.; Argiro, S.; Bellan, R.; Casasso, S.; Costa, M.; Degano, A.; Migliore, E.; Monaco, V.; Ortona, G.; Pacher, L.; Potenza, A.; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientale Novara, Turin, Italy. [Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; La Licata, C.; Marone, M.; Montanino, D.; Penzo, A.; Schizzi, A.; Umer, T.; Zanetti, A.] Ist Nazl Fis Nucl, Sez Trieste, Trieste, Italy. [Candelise, V.; Della Ricca, G.; La Licata, C.; Marone, M.; Montanino, D.; Schizzi, A.; Umer, T.] Univ Trieste, Trieste, Italy. [Chang, S.; Kim, T. Y.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Kim, D. H.; Kim, G. N.; Kim, J. E.; Kong, D. J.; Lee, S.; Oh, Y. D.; Park, H.; Son, D. C.] 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, Y.; Lee, K. S.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Choi, Y.; Choi, Y. K.; Goh, J.; Kim, M. S.; Kwon, E.; Lee, B.; Lee, J.; Lee, S.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [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.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland 1, New Zealand. [Butler, P. H.; Doesburg, R.; Reucroft, S.; Silverwood, H.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, M.; Asghar, M. I.; Butt, J.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Khurshid, T.; Qazi, S.; Shah, M. A.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Wrochna, G.; Zalewski, P.] Natl Ctr Nucl Res, Otwock, Poland. [Brona, G.; Bunkowski, K.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Wolszczak, W.] Univ Warsaw, Fac Phys, Inst Expt Phys, Warsaw, Poland. [Bargassa, P.; Beirao Da Cruz E Silva, C.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Nguyen, F.; Rodrigues Antunes, J.; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Afanasiev, S.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Konoplyanikov, V.; Kozlov, G.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Savina, M.; Shmatov, S.; Skatchkov, N.; Smirnov, V.; 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, A.; Vorobyev, An.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Epshteyn, V.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Spiridonov, A.; Stolin, V.; Vlasov, E.; Zhokin, A.; Starodumov, A.; Nikitenko, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Popov, A.; Zhukov, V.; Katkov, I.; Belyaev, A.; Boos, E.; Bunichev, V.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Markina, A.; Obraztsov, S.; Petrushanko, S.; Savrin, V.] 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.] State Res Ctr Russian Federat, Inst High Energy Phys, Protvino, Russia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Milosevic, J.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Milosevic, J.] Univ Belgrade, Vinca Inst Nucl Sci, Belgrade, Serbia. [Aguilar-Benitez, M.; Alcaraz Maestre, J.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Dominguez Vazquez, D.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Ferrando, A.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Merino, G.; Navarro De Martino, E.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.; Willmott, C.] Ctr Invest Energet Medioambientales & Tecnol CIEM, Madrid, Spain. [Albajar, C.; de Troconiz, J. F.] Univ Autonoma Madrid, Madrid, Spain. [Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Lloret Iglesias, L.] Univ Oviedo, Oviedo, Spain. [Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Chuang, S. H.; Duarte Campderros, J.; Fernandez, M.; Gomez, G.; Gonzalez Sanchez, J.; Graziano, A.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Piedra Gomez, J.; Rodrigo, T.; Rodriguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.] Univ Cantabria, CSIC, Inst Fis Cantabria IFCA, E-39005 Santander, Spain. [Rabady, D.; Genchev, V.; Iaydjiev, P.; Lingemann, J.; Guthoff, M.; Hartmann, F.; Hauth, T.; Kornmayer, A.; Mohanty, A. K.; Fiorendi, S.; Lucchini, M. T.; Manzoni, R. A.; Martelli, A.; Meola, S.; Paolucci, P.; Galanti, M.; Pelliccioni, M.; Cossutti, F.; Seixas, J.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Bendavid, J.; Benhabib, L.; Benitez, J. F.; Bernet, C.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Bondu, O.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Christiansen, T.; Perez, J. A. Coarasa; Colafranceschi, S.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; David, A.; De Guio, F.; De Roeck, A.; De Visscher, S.; Di Guida, S.; Dobson, M.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Eugster, J.; Franzoni, G.; Funk, W.; Giffels, M.; Gigi, D.; Gill, K.; Girone, M.; Giunta, M.; Glege, F.; Garrido, R. Gomez-Reino; Gowdy, S.; Guida, R.; Hammer, J.; Hansen, M.; Harris, P.; Hinzmann, A.; Innocente, V.; Janot, P.; Karavakis, E.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lee, Y. -J.; Lourenco, C.; Magini, N.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Mulders, M.; Musella, P.; Orsini, L.; Cortezon, E. Palencia; Perez, E.; Perrozzi, L.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pierini, M.; Pimiae, M.; Piparo, D.; Plagge, M.; Racz, A.; Reece, W.; Rolandi, G.; Rovere, M.; Sakulin, H.; Santanastasio, F.; Schaefer, C.; Schwick, C.; Sekmen, S.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Steggemann, J.; Stieger, B.; Stoye, M.; Tsirou, A.; Veres, G. I.; Vlimant, J. R.; Woehri, H. K.; Zeuner, W. D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Bertl, W.; Deiters, K.; Erdmann, W.; Gabathuler, K.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Koenig, S.; Kotlinski, D.; Langenegger, U.; Renker, D.; Rohe, T.; Naegeli, C.] Paul Scherrer Inst, Villigen, Switzerland. [Bachmair, F.; Baeni, L.; Bianchini, L.; Bortignon, P.; Buchmann, M. A.; Casal, B.; Chanon, N.; Deisher, A.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eller, P.; Grab, C.; Hits, D.; Lustermann, W.; Mangano, B.; Marini, A. C.; del Arbol, P. Martinez Ruiz; Meister, D.; Mohr, N.; Naegeli, C.; Nef, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pape, L.; Pauss, F.; Peruzzi, M.; Quittnat, M.; Ronga, F. J.; Rossini, M.; Sala, L.; Starodumov, A.; Takahashi, M.; Tauscher, L.; Theofilatos, K.; Treille, D.; Wallny, R.; Weber, H. A.] ETH, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Chiochia, V.; De Cosa, A.; Favaro, C.; Rikova, M. Ivova; Kilminster, B.; Mejias, B. Millan; Ngadiuba, J.; Robmann, P.; Snoek, H.; Taroni, S.; Verzetti, M.; Yang, Y.] Univ Zurich, Zurich, Switzerland. [Cardaci, M.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Li, S. W.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli 32054, Taiwan. [Bartalini, P.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Dietz, C.; Grundler, U.; Hou, W. -S.; Hsiung, Y.; Kao, K. Y.; Lei, Y. J.; Liu, Y. F.; Lu, R. -S.; Majumder, D.; Petrakou, E.; Shi, X.; Shiu, J. G.; Tzeng, Y. M.; Wang, M.; Wilken, R.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Suwonjandee, N.] Chulalongkorn Univ, Bangkok, Thailand. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Karapinar, G.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Gulmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.; 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.; Jacob, J.; Kreczko, L.; Lucas, C.; Meng, Z.; Metson, S.; Newbold, D. M.; Nirunpong, K.; Paramesvaran, S.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [Newbold, D. M.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Ilic, J.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Womersley, W. J.; Worm, S. D.; Lucas, R.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Baber, M.; Bainbridge, R.; Buchmuller, O.; Burton, D.; Colling, D.; Cripps, N.; Cutajar, M.; Dauncey, P.; Davies, G.; Della Negra, M.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; Bryer, A. Guneratne; Hall, G.; Hatherell, Z.; Hays, J.; Iles, G.; Jarvis, M.; Karapostoli, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A. -M.; Marrouche, J.; Mathias, B.; Nandi, R.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Pioppi, M.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Sparrow, A.; Tapper, A.; Acosta, M. Vazquez; Virdee, T.; Wakefield, S.; Wardle, N.] Univ London Imperial Coll Sci Technol & Med, London, England. [Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Martin, W.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Scarborough, T.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; Heister, A.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; St John, J.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Alimena, J.; Bhattacharya, S.; Christopher, G.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Kopecky, A.; Lander, R.; Miceli, T.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Rutherford, B.; Searle, M.; Shalhout, S.; Smith, J.; Squires, M.; Tripathi, M.; Wilbur, S.; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Andreev, V.; Cline, D.; Cousins, R.; Erhan, S.; Everaerts, P.; Farrell, C.; Felcini, M.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Rakness, G.; Schlein, P.; Takasugi, E.; Valuev, V.; Weber, M.] Univ Calif Los Angeles, Los Angeles, CA USA. [Babb, J.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Jandir, P.; Lacroix, F.; Liu, H.; Long, O. R.; Luthra, A.; Malberti, M.; Nguyen, H.; Shrinivas, A.; Sturdy, J.; Sumowidagdo, S.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Evans, D.; Holzner, A.; Kelley, R.; Kovalskyi, D.; Lebourgeois, M.; Letts, J.; Macneill, I.; Padhi, S.; Palmer, C.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Wuerthwein, F.; Yagil, A.; Yoo, J.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Campagnari, C.; Danielson, T.; Flowers, K.; Geffert, P.; George, C.; Golf, F.; Incandela, J.; Justus, C.; Villalba, R. Magana; Mccoll, N.; Pavlunin, V.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; West, C.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Dias, F. A.; Dubinin, M.; Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Di Marco, E.; Duarte, J.; Kcira, D.; Ma, Y.; Mott, A.; Newman, H. B.; Pena, C.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Wilkinson, R.; Xie, S.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Paulini, M.; Russ, J.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Drell, B. R.; Ford, W. T.; Gaz, A.; Lopez, E. Luiggi; Nauenberg, U.; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Eggert, N.; Gibbons, L. K.; Hopkins, W.; Khukhunaishvili, A.; Kreis, B.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Fisk, I.; Freeman, J.; Gao, Y.; Gottschalk, E.; Gray, L.; Green, D.; Gutsche, O.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Kaadze, K.; Klima, B.; Kwan, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoorn, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Ratnikova, N.; Sexton-Kennedy, E.; Sharma, S.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitmore, J.; Wu, W.; Yang, F.; Yun, J. C.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Acosta, D.; Avery, P.; Bourilkov, D.; Cheng, T.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Dobur, D.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, I. K.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Rinkevicius, A.; Shchutska, L.; Skhirtladze, N.; Snowball, M.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, T.; Askew, A.; Bochenek, J.; Chen, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA. [Baarmand, M. M.; Dorney, B.; Hohlmann, M.; Kalakhety, H.; Yumiceva, F.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Apanasevich, L.; Bazterra, V. E.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Kurt, P.; Moon, D. H.; O'Brien, C.; Silkworth, C.; Turner, P.; Varelas, N.] Univ Illinois, Chicago, IL USA. [Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Dilsiz, K.; Duru, F.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Swartz, M.; Whitbeck, A.] Johns Hopkins Univ, Baltimore, MD USA. [Sibille, J.; Baringer, P.; Bean, A.; Benelli, G.; Kenny, R. P., III; Murray, M.; Noonan, D.; Sanders, S.; Sekaric, J.; Stringer, R.; Wang, Q.; Wood, J. S.] Univ Kansas, Lawrence, KS 66045 USA. [Barfuss, A. F.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Shrestha, S.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Baden, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Bauer, G.; Busza, W.; Cali, I. A.; Chan, M.; Di Matteo, L.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Gulhan, D.; Klute, M.; Lai, Y. S.; Levin, A.; Luckey, P. D.; Ma, T.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Velicanu, D.; Veverka, J.; Wyslouch, B.; Yang, M.; Yoon, A. S.; Zanetti, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA. [Dahmes, B.; De Benedetti, A.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Acosta, J. G.; Cremaldi, L. M.; Kroeger, R.; Oliveros, S.; Perera, L.; Rahmat, R.; Sanders, D. A.; Summers, D.] Univ Mississippi, University, MS 38677 USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Suarez, R. Gonzalez; Keller, J.; Kravchenko, I.; Lazo-Flores, J.; Malik, S.; Meier, F.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Dolen, J.; Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Wan, Z.] SUNY Buffalo, Buffalo, NY 14260 USA. [Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Haley, J.; Massironi, A.; Nash, D.; Orimoto, T.; Trocino, D.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA. [Anastassov, A.; Hahn, K. A.; Kubik, A.; Lusito, L.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [Berry, D.; Brinkerhoff, A.; Chan, K. M.; Drozdetskiy, A.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kolb, J.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Morse, D. M.; Pearson, T.; Planer, M.; Ruchti, R.; Slaunwhite, J.; Valls, N.; Wayne, M.; Wolf, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Antonelli, L.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Smith, G.; Vuosalo, C.; Winer, B. L.; Wolfe, H.; Wulsin, H. W.] Ohio State Univ, Columbus, OH USA. [Berry, E.; Elmer, P.; Halyo, V.; Hebda, P.; Hegeman, J.; Hunt, A.; Jindal, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Raval, A.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zenz, S. C.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Lopez, A.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [Savoy-Navarro, A.; Alagoz, E.; Benedetti, D.; Bolla, G.; Bortoletto, D.; De Mattia, M.; Everett, A.; Hu, Z.; Jones, M.; Jung, K.; Kress, M.; Leonardo, N.; Pegna, D. Lopes; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Radburn-Smith, B. C.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Yoo, H. D.; Zablocki, J.; Zheng, Y.] Purdue Univ, W Lafayette, IN 47907 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, LA USA. [Adair, A.; Akgun, B.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Michlin, B.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; Covarelli, R.; de 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. [Bhatti, A.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Malik, S.; Mesropian, C.] Rockefeller Univ, New York, NY 10021 USA. [Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Rekovic, V.; Robles, J.; Salur, S.; Schnetzer, S.; Seitz, C.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.] Rutgers State Univ, Piscataway, NJ USA. [Rose, K.; Spanier, S.; Yang, Z. C.; York, A.] Univ Tennessee, Knoxville, TN USA. [Bouhali, O.; Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Krutelyov, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Perloff, A.; Roe, J.; Safonov, A.; Sakuma, T.; Suarez, I.; Tatarinov, A.; Toback, D.] Texas A&M Univ, College Stn, TX USA. [Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Kovitanggoon, K.; Kunori, S.; Lee, S. W.; Libeiro, T.; Volobouev, I.] Texas Tech Univ, Lubbock, TX 79409 USA. [Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Johns, W.; Maguire, C.; Mao, Y.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.] Vanderbilt Univ, Nashville, TN 37235 USA. [Arenton, M. W.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Lin, C.; Neu, C.; Wood, J.] Univ Virginia, Charlottesville, VA USA. [Gollapinni, S.; Harr, R.; Karchin, P. E.; Don, C. Kottachchi Kankanamge; Lamichhane, P.; Sakharov, A.] Wayne State Univ, Detroit, MI USA. [Belknap, D. A.; Borrello, L.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Duric, S.; Friis, E.; Grothe, M.; Hall-Wilton, R.; Herndon, M.; Herve, A.; Klabbers, P.; Klukas, J.; Lanaro, A.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ross, I.; Sarangi, T.; Savin, A.; Smith, W. H.; Swanson, J.] Univ Wisconsin, Madison, WI 53706 USA. [Fabjan, C.; Fruehwirth, R.; Jeitler, M.; Krammer, M.] Vienna Univ Technol, A-1040 Vienna, Austria. [Chinellato, J.; Tonelli Manganote, E. J.] Univ Estadual Campinas, Campinas, SP, Brazil. [Abdelalim, A. A.; Elgammal, S.] Zewail City Sci & Technol, Zewail, Egypt. [Assran, Y.] Suez Canal Univ, Suez, Egypt. [Kamel, A. Ellithi] Cairo Univ, Cairo, Egypt. [Mahmoud, M. A.] Fayoum Univ, Al Fayyum, Egypt. British Univ Egypt, Cairo, Egypt. Ain Shams Univ, Cairo, Egypt. [Agram, J. -L.; Conte, E.; Drouhin, F.; Fontaine, J. -C.] Univ Haute Alsace, Mulhouse, France. [Alvarez, J. D. Ruiz] Univ Antioquia, Medellin, Colombia. [Bergholz, M.; Lohmann, W.; Schmidt, R.] Brandenburg Tech Univ Cottbus, Cottbus, Germany. [Vesztergombi, G.; Veres, G. I.] Eotvos Lorand Univ, Budapest, Hungary. [Maity, M.] Visva Bharati Univ, Santini Ketan, W Bengal, India. [Wickramage, N.] Univ Ruhuna, Matara, Sri Lanka. [Etesami, S. M.] Isfahan Univ Technol, Esfahan, Iran. [Fahim, A.] Sharif Univ Technol, Tehran, Iran. [Safarzadeh, B.] Islamic Azad Univ, Plasma Phys Res Ctr, Sci & Res Branch, Tehran, Iran. [Androsov, K.; Ciocci, M. A.; Grippo, M. T.; Squillacioti, P.] Univ Siena, I-53100 Siena, Italy. [Moon, C. S.] CNRS, IN2P3, Paris, France. [Heredia-de La Cruz, I.] Univ Michoacana, Morelia, Michoacan, Mexico. [Colafranceschi, S.] Univ Rome, Fac Ingn, Rome, Italy. [Rolandi, G.] Scuola Normale Super Pisa, Pisa, Italy. [Rolandi, G.] Sezione Ist Nazl Fis Nucl, Pisa, Italy. [Amsler, C.] Albert Einstein Ctr Fundamental Phys, Bern, Switzerland. [Bakirci, M. N.; Ozturk, S.; Topakli, H.] Gaziosmanpasa Univ, Tokat, Turkey. 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RI Ligabue, Franco/F-3432-2014; Menasce, Dario Livio/A-2168-2016; Rolandi, Luigi (Gigi)/E-8563-2013; Sguazzoni, Giacomo/J-4620-2015; Da Silveira, Gustavo Gil/N-7279-2014; Haj Ahmad, Wael/E-6738-2016; Konecki, Marcin/G-4164-2015; Xie, Si/O-6830-2016; Goh, Junghwan/Q-3720-2016; Ruiz, Alberto/E-4473-2011; Govoni, Pietro/K-9619-2016; Tuominen, Eija/A-5288-2017; Yazgan, Efe/C-4521-2014; Inst. of Physics, Gleb Wataghin/A-9780-2017; Cakir, Altan/P-1024-2015; TUVE', Cristina/P-3933-2015; Azarkin, Maxim/N-2578-2015; de Jesus Damiao, Dilson/G-6218-2012; Flix, Josep/G-5414-2012; Della Ricca, Giuseppe/B-6826-2013; Tomei, Thiago/E-7091-2012; Dubinin, Mikhail/I-3942-2016; Paganoni, Marco/A-4235-2016; Kirakosyan, Martin/N-2701-2015; Gulmez, Erhan/P-9518-2015; Tinoco Mendes, Andre David/D-4314-2011; Hernandez Calama, Jose Maria/H-9127-2015; ciocci, maria agnese /I-2153-2015; Bedoya, Cristina/K-8066-2014; My, Salvatore/I-5160-2015; Matorras, Francisco/I-4983-2015; Lo Vetere, Maurizio/J-5049-2012; Rovelli, Tiziano/K-4432-2015; Dremin, Igor/K-8053-2015; Hoorani, Hafeez/D-1791-2013; Leonidov, Andrey/M-4440-2013; Andreev, Vladimir/M-8665-2015; Yazgan, Efe/A-4915-2015; da Cruz e Silva, Cristovao/K-7229-2013; Grandi, Claudio/B-5654-2015; Chinellato, Jose Augusto/I-7972-2012; Petrushanko, Sergey/D-6880-2012; Bernardes, Cesar Augusto/D-2408-2015; Raidal, Martti/F-4436-2012; Lazzizzera, Ignazio/E-9678-2015; Sen, Sercan/C-6473-2014; D'Alessandro, Raffaello/F-5897-2015; Stahl, Achim/E-8846-2011; Trocsanyi, Zoltan/A-5598-2009; Cavallo, Nicola/F-8913-2012; Torassa, Ezio/I-1788-2012; Venturi, Andrea/J-1877-2012; Calderon, Alicia/K-3658-2014; Josa, Isabel/K-5184-2014; Novaes, Sergio/D-3532-2012; de la Cruz, Begona/K-7552-2014; Scodellaro, Luca/K-9091-2014; Lokhtin, Igor/D-7004-2012; Montanari, Alessandro/J-2420-2012; Moon, Chang-Seong/J-3619-2014; Gribushin, Andrei/J-4225-2012; Cerrada, Marcos/J-6934-2014; Calvo Alamillo, Enrique/L-1203-2014; VARDARLI, Fuat Ilkehan/B-6360-2013; Dudko, Lev/D-7127-2012; Hill, Christopher/B-5371-2012; Manganote, Edmilson/K-8251-2013; Paulini, Manfred/N-7794-2014; Vogel, Helmut/N-8882-2014; Ferguson, Thomas/O-3444-2014; Benussi, Luigi/O-9684-2014; Russ, James/P-3092-2014; Ragazzi, Stefano/D-2463-2009; Leonidov, Andrey/P-3197-2014; vilar, rocio/P-8480-2014 OI Martelli, Arabella/0000-0003-3530-2255; Gonzi, Sandro/0000-0003-4754-645X; Levchenko, Petr/0000-0003-4913-0538; Ligabue, Franco/0000-0002-1549-7107; Abdelalim, Ahmed Ali/0000-0002-2056-7894; Diemoz, Marcella/0000-0002-3810-8530; Tricomi, Alessia Rita/0000-0002-5071-5501; Heredia De La Cruz, Ivan/0000-0002-8133-6467; Ghezzi, Alessio/0000-0002-8184-7953; bianco, stefano/0000-0002-8300-4124; Demaria, Natale/0000-0003-0743-9465; Benaglia, Andrea Davide/0000-0003-1124-8450; Covarelli, Roberto/0000-0003-1216-5235; Ciulli, Vitaliano/0000-0003-1947-3396; Androsov, Konstantin/0000-0003-2694-6542; Fiorendi, Sara/0000-0003-3273-9419; Bean, Alice/0000-0001-5967-8674; Longo, Egidio/0000-0001-6238-6787; Di Matteo, Leonardo/0000-0001-6698-1735; Baarmand, Marc/0000-0002-9792-8619; Boccali, Tommaso/0000-0002-9930-9299; Menasce, Dario Livio/0000-0002-9918-1686; Attia Mahmoud, Mohammed/0000-0001-8692-5458; Bilki, Burak/0000-0001-9515-3306; Rolandi, Luigi (Gigi)/0000-0002-0635-274X; Sguazzoni, Giacomo/0000-0002-0791-3350; da Cruz e silva, Cristovao/0000-0002-1231-3819; Casarsa, Massimo/0000-0002-1353-8964; Da Silveira, Gustavo Gil/0000-0003-3514-7056; Haj Ahmad, Wael/0000-0003-1491-0446; Konecki, Marcin/0000-0001-9482-4841; Xie, Si/0000-0003-2509-5731; Goh, Junghwan/0000-0002-1129-2083; Ruiz, Alberto/0000-0002-3639-0368; Govoni, Pietro/0000-0002-0227-1301; Tuominen, Eija/0000-0002-7073-7767; Yazgan, Efe/0000-0001-5732-7950; TUVE', Cristina/0000-0003-0739-3153; de Jesus Damiao, Dilson/0000-0002-3769-1680; Flix, Josep/0000-0003-2688-8047; Della Ricca, Giuseppe/0000-0003-2831-6982; Tomei, Thiago/0000-0002-1809-5226; Dubinin, Mikhail/0000-0002-7766-7175; Paganoni, Marco/0000-0003-2461-275X; Gulmez, Erhan/0000-0002-6353-518X; Tinoco Mendes, Andre David/0000-0001-5854-7699; Hernandez Calama, Jose Maria/0000-0001-6436-7547; ciocci, maria agnese /0000-0003-0002-5462; Bedoya, Cristina/0000-0001-8057-9152; My, Salvatore/0000-0002-9938-2680; Matorras, Francisco/0000-0003-4295-5668; Lo Vetere, Maurizio/0000-0002-6520-4480; Rovelli, Tiziano/0000-0002-9746-4842; Grandi, Claudio/0000-0001-5998-3070; Chinellato, Jose Augusto/0000-0002-3240-6270; Lazzizzera, Ignazio/0000-0001-5092-7531; Sen, Sercan/0000-0001-7325-1087; D'Alessandro, Raffaello/0000-0001-7997-0306; Stahl, Achim/0000-0002-8369-7506; Trocsanyi, Zoltan/0000-0002-2129-1279; Novaes, Sergio/0000-0003-0471-8549; Scodellaro, Luca/0000-0002-4974-8330; Montanari, Alessandro/0000-0003-2748-6373; Moon, Chang-Seong/0000-0001-8229-7829; Cerrada, Marcos/0000-0003-0112-1691; Calvo Alamillo, Enrique/0000-0002-1100-2963; Dudko, Lev/0000-0002-4462-3192; Hill, Christopher/0000-0003-0059-0779; Paulini, Manfred/0000-0002-6714-5787; Vogel, Helmut/0000-0002-6109-3023; Ferguson, Thomas/0000-0001-5822-3731; Benussi, Luigi/0000-0002-2363-8889; Russ, James/0000-0001-9856-9155; Ragazzi, Stefano/0000-0001-8219-2074; FU FMSR (Austria); FNRS (Belgium); FWO (Belgium); CNPq (Brazil); CAPES (Brazil); FAPERJ (Brazil); FAPESP (Brazil); MES (Bulgaria); CERN (China); CAS (China); MoST (China); NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); RPF (Cyprus); Academy of Sciences (Estonia); NICPB (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 (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 (Spain); CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); TUBITAK (Turkey); TAEK (Turkey); STFC (United Kingdom); DOE (USA); NSF (USA); 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 - EU, Regional Development Fund; EU-ESF; Greek NSRF FX We wish to 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: FMSR (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); Academy of Sciences and NICPB (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); MICINN and CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); TUBITAK and TAEK (Turkey); STFC (United Kingdom); DOE and NSF (USA).; Individuals have received support from the Marie-Curie programme and the European Research Council and EPLANET (European Union); the Leventis Foundation; the A. P. Sloan Foundation; the Alexander von Humboldt Foundation; the Belgian Federal Science Policy Office; the Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); the Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); the Ministry of Education, Youth and Sports (MEYS) of Czech Republic; the Council of Science and Industrial Research, India; the Compagnia di San Paolo (Torino); the HOMING PLUS programme of Foundation for Polish Science, co-financed by EU, Regional Development Fund; and the Thalis and Aristeia programmes cofinanced by EU-ESF and the Greek NSRF. NR 53 TC 16 Z9 16 U1 7 U2 66 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 JAN 29 PY 2014 IS 1 AR 163 DI 10.1007/JHEP01(2014)163 PG 45 WC Physics, Particles & Fields SC Physics GA AI4PW UT WOS:000336848300001 ER PT J AU Gladden, JM Park, JI Bergmann, J Reyes-Ortiz, V D'haeseleer, P Quirino, BF Sale, KL Simmons, BA Singer, SW AF Gladden, John M. Park, Joshua I. Bergmann, Jessica Reyes-Ortiz, Vimalier D'haeseleer, Patrik Quirino, Betania F. Sale, Kenneth L. Simmons, Blake A. Singer, Steven W. TI Discovery and characterization of ionic liquid-tolerant thermophilic cellulases from a switchgrass-adapted microbial community SO BIOTECHNOLOGY FOR BIOFUELS LA English DT Article DE Cellulase; Ionic liquid; Thermophilic; Biofuel ID GLYCOSIDE HYDROLASE ACTIVITIES; BACTERIAL CONSORTIA; CELLULOSE; PRETREATMENT; BIOMASS; ACID AB Background: The development of advanced biofuels from lignocellulosic biomass will require the use of both efficient pretreatment methods and new biomass-deconstructing enzyme cocktails to generate sugars from lignocellulosic substrates. Certain ionic liquids (ILs) have emerged as a promising class of compounds for biomass pretreatment and have been demonstrated to reduce the recalcitrance of biomass for enzymatic hydrolysis. However, current commercial cellulase cocktails are strongly inhibited by most of the ILs that are effective biomass pretreatment solvents. Fortunately, recent research has shown that IL-tolerant cocktails can be formulated and are functional on lignocellulosic biomass. This study sought to expand the list of known IL-tolerant cellulases to further enable IL-tolerant cocktail development by developing a combined in vitro/in vivo screening pipeline for metagenome-derived genes. Results: Thirty-seven predicted cellulases derived from a thermophilic switchgrass-adapted microbial community were screened in this study. Eighteen of the twenty-one enzymes that expressed well in E. coli were active in the presence of the IL 1-ethyl-3-methylimidazolium acetate ([C(2)mim][OAc]) concentrations of at least 10% (v/v), with several retaining activity in the presence of 40% (v/v), which is currently the highest reported tolerance to [C(2)mim][OAc] for any cellulase. In addition, the optimum temperatures of the enzymes ranged from 45 to 95 degrees C and the pH optimum ranged from 5.5 to 7.5, indicating these enzymes can be used to construct cellulase cocktails that function under a broad range of temperature, pH and IL concentrations. Conclusions: This study characterized in detail twenty-one cellulose-degrading enzymes derived from a thermophilic microbial community and found that 70% of them were [C(2)mim][OAc]-tolerant. A comparison of optimum temperature and [C(2)mim][OAc]-tolerance demonstrates that a positive correlation exists between these properties for those enzymes with a optimum temperature >70 degrees C, further strengthening the link between thermotolerance and IL-tolerance for lignocelluolytic glycoside hydrolases. C1 [Gladden, John M.; Park, Joshua I.; Reyes-Ortiz, Vimalier; Sale, Kenneth L.; Simmons, Blake A.; Singer, Steven W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, JBEI, Phys Biosci Div, Berkeley, CA 94720 USA. [Gladden, John M.; Park, Joshua I.; Sale, Kenneth L.; Simmons, Blake A.] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA USA. [D'haeseleer, Patrik] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA. [Singer, Steven W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Geochem, Berkeley, CA 94720 USA. [Singer, Steven W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Ecol, Berkeley, CA 94720 USA. [Quirino, Betania F.] Univ Catolica Brasilia, Dept Genom Sci & Biotechnol, BR-70790160 Brasilia, DF, Brazil. [Quirino, Betania F.] Embrapa Agroenergy, BR-70770901 Brasilia, DF, Brazil. RP Gladden, JM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, JBEI, Phys Biosci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM JMGladden@lbl.gov FU Office of Science, Office of Biological and Environmental Research, of the US Department of Energy [DE-AC02-05CH11231]; CAPES Foundation, Ministry of Education of Brazil [9721/11-8] FX This work conducted by the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research, of the US Department of Energy under Contract No. DE-AC02-05CH11231. JCB was supported by fellowship 9721/11-8 from CAPES Foundation, Ministry of Education of Brazil. NR 22 TC 16 Z9 16 U1 3 U2 29 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 JAN 29 PY 2014 VL 7 AR 15 DI 10.1186/1754-6834-7-15 PG 12 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA AD1IL UT WOS:000332987500001 PM 24479406 ER PT J AU Basar, G Kharzeev, DE Yee, HU AF Basar, Goekce Kharzeev, Dmitri E. Yee, Ho-Ung TI Triangle anomaly in Weyl semimetals SO PHYSICAL REVIEW B LA English DT Article ID 2-DIMENSIONAL SYSTEMS; PHASE-TRANSITIONS; QCD; COLLISIONS; VIOLATION; SYMMETRY; FIELDS; MATTER; MODEL AB Weyl semimetals possess massless chiral quasiparticles, and they are thus affected by the triangle anomalies. We discuss the features of the chiral magnetic and chiral vortical effects specific to Weyl semimetals, and then propose three phenomena caused by the triangle anomalies in this material: (i) anomaly cooling; (ii) charge transport by soliton waves as described by Burgers' equation, and (iii) the shift of the Berezinskii-Kosterlitz-Thouless phase transition of superfluid vortices coupled to Weyl fermions. In addition, we establish the conditions under which the chiral magnetic current exists in real materials. C1 [Basar, Goekce; Kharzeev, Dmitri E.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Kharzeev, Dmitri E.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Yee, Ho-Ung] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [Yee, Ho-Ung] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. RP Basar, G (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. EM basar@tonic.physics.sunysb.edu; dmitri.kharzeev@stonybrook.edu; hyee@uic.edu RI Basar, Gokce/O-6277-2016 FU US Department of Energy [DE-FG-88ER40388, DE-AC02-98CH10886] FX This work was supported by the US Department of Energy under Contracts No. DE-FG-88ER40388 and No. DE-AC02-98CH10886 (G. B. and D. K.). We thank L. Levitov, M. Stephanov, Y. Yin, and I. Zahed for useful discussions. NR 84 TC 45 Z9 45 U1 1 U2 16 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 JAN 29 PY 2014 VL 89 IS 3 AR 035142 DI 10.1103/PhysRevB.89.035142 PG 10 WC Physics, Condensed Matter SC Physics GA AC1ZW UT WOS:000332297800001 ER PT J AU Cho, DJ Wu, W Wang, F Shen, YR AF Cho, David J. Wu, Wei Wang, Feng Shen, Y. Ron TI Probing the plasmonic band structure of an optical metamaterial SO PHYSICAL REVIEW B LA English DT Article ID NEGATIVE-INDEX METAMATERIALS; NANOIMPRINT LITHOGRAPHY; REFRACTIVE-INDEX; GROUP-VELOCITY; TRANSMISSION; HYPERLENS; MODES; LIGHT; CLOAK AB Knowledge of the plasmonic band structure is crucial for the fundamental understanding and better control of electromagnetic waves in periodic optical metamaterials. Here, we probe the plasmonic band structure of the important fishnet metamaterial by angle-and polarization-resolved optical spectroscopy. We show that multiple "magnetic" plasmon bands exist in the fishnet metamaterial, and they display interesting dispersion behavior. We can understand the plasmon bands qualitatively using a band-structure zone-folding picture. Interestingly, some plasmon resonances have wave-vector-dependent coupling, and the corresponding plasmon bands exhibit anticrossing behavior due to hybridization of the plasmonic waves. C1 [Cho, David J.; Wang, Feng; Shen, Y. Ron] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Cho, David J.; Wang, Feng; Shen, Y. Ron] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Wu, Wei] Univ So Calif, Dept Elect Engn, Los Angeles, CA 90089 USA. RP Cho, DJ (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI wang, Feng/I-5727-2015 FU U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC02-05CH11231. W. W. thanks HP Laboratories for fabrication facilities. NR 39 TC 2 Z9 2 U1 2 U2 23 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 JAN 29 PY 2014 VL 89 IS 3 AR 035434 DI 10.1103/PhysRevB.89.035434 PG 9 WC Physics, Condensed Matter SC Physics GA AC1ZW UT WOS:000332297800006 ER PT J AU Mirri, C Dusza, A Zhu, XD Lei, HC Ryu, H Degiorgi, L Petrovic, C AF Mirri, C. Dusza, A. Zhu, Xiangde Lei, Hechang Ryu, Hyejin Degiorgi, L. Petrovic, C. TI Excitation spectrum in Ni- and Cu-doped ZrTe3 SO PHYSICAL REVIEW B LA English DT Article ID T-C; SUPERCONDUCTIVITY; RANGE AB ZeTe(3) belongs to the ample class of chainlike chalcogenide charge-density-wave (CDW) materials. Its peculiarity consists in the formation of the CDW condensate at T-CDW along the crystallographic directions perpendicular to the b-axis, Zr-Zr chains. Ni and Cu intercalation of ZrTe3 leads to the onset of bulk superconductivity at T-c < T-CDW, raising questions about the possible coexistence as well as competition between both broken-symmetry ground states. Here, we report on the optical investigation of Ni0.05ZrTe3 and Cu0.05ZrTe3 single crystals performed with electromagnetic radiation polarized along the in-plane crystallographic a and b axes, over a broad spectral range and as a function of temperature. The charge dynamics of the CDW state displays a polarization dependence within the ab plane and gives evidence for a partial gapping of the Fermi surface, which affects almost exclusively the crystallographic direction parallel to the a axis. We provide a complementary analysis of the spectral weight distribution, disentangling its reshuffling in the excitation spectrum across the symmetry-breaking CDW transition. While the superconducting energy gap lies outside our measurable spectral range, we observe nonetheless that the CDW-gap feature persists at T < T-c. We propose that CDW and superconductivity coexist along the a axis. C1 [Mirri, C.; Dusza, A.; Degiorgi, L.] ETH, Festkorperphys Lab, CH-8093 Zurich, Switzerland. [Zhu, Xiangde; Lei, Hechang; Ryu, Hyejin; Petrovic, C.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Ryu, Hyejin; Petrovic, C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Mirri, C (reprint author), ETH, Festkorperphys Lab, CH-8093 Zurich, Switzerland. RI Petrovic, Cedomir/A-8789-2009; LEI, Hechang/H-3278-2016 OI Petrovic, Cedomir/0000-0001-6063-1881; FU Swiss National Foundation for the Scientific Research, within the NCCR research pool MaNEP; U.S. DOE [DE-AC02-98CH10886] FX The authors wish to thank M. Dressel for fruitful discussions. This work has been supported by the Swiss National Foundation for the Scientific Research, within the NCCR research pool MaNEP. Work at Brookhaven is supported by the U.S. DOE under Contract No. DE-AC02-98CH10886. NR 32 TC 0 Z9 0 U1 6 U2 51 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 JAN 29 PY 2014 VL 89 IS 3 AR 035144 DI 10.1103/PhysRevB.89.035144 PG 9 WC Physics, Condensed Matter SC Physics GA AC1ZW UT WOS:000332297800003 ER PT J AU Ryberg, E Forssen, C Hammer, HW Platter, L AF Ryberg, Emil Forssen, Christian Hammer, H. -W. Platter, Lucas TI Effective field theory for proton halo nuclei SO PHYSICAL REVIEW C LA English DT Article ID FORM-FACTORS; SHELL-MODEL; SCATTERING; PHYSICS; F-17 AB We use halo effective field theory to analyze the universal features of proton halo nuclei bound due to a large S-wave scattering length. Our work provides a fully field-theoretical treatment of bound halo nuclei in the presence of a repulsive Coulomb interaction. With a Lagrangian built from effective core and valence-proton fields, we derive a leading-order expression for the charge form factor. Within the same framework we also calculate the radiative proton capture cross section. We present general results at leading order that can be applied to any one-proton halo system bound in a relative S wave. We illustrate the method by studying the excited 1/2(+) state of fluorine 17, for which we give results for the charge radius and the astrophysical S factor. C1 [Ryberg, Emil; Forssen, Christian; Platter, Lucas] Chalmers, Dept Fundamental Phys, SE-41296 Gothenburg, Sweden. [Hammer, H. -W.] Univ Bonn, Helmholtz Inst Strahlen & Kernphys, D-53115 Bonn, Germany. [Hammer, H. -W.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Hammer, H. -W.] GSI Helmholtzzentrum Schwerionenforsch, ExtreMe Matter Inst EMMI, D-64291 Darmstadt, Germany. [Platter, Lucas] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Ryberg, E (reprint author), Chalmers, Dept Fundamental Phys, SE-41296 Gothenburg, Sweden. EM lplatter@phy.anl.gov RI Forssen, Christian/C-6093-2008; Platter, Lucas/N-3887-2013 OI Forssen, Christian/0000-0003-3458-0480; Platter, Lucas/0000-0001-6632-8250 FU Swedish Research Council [2010-4078]; European Research Council [240603]; Office of Nuclear Physics, U.S. Department of Energy [DE-AC02-06CH11357]; DFG; NSFC through the Sino-German [CRC 110]; BMBF [05P12PDFTE]; Helmholtz Association [HA216/EMMI] FX We thank H. Esbensen and S. Konig for helpful discussions and P. Mohr and K. Bennaceur for supplying relevant data. This work was supported by the Swedish Research Council (No. 2010-4078), the European Research Council under the European Community's Seventh Framework Program (FP7/2007-2013) / ERC Grant No. 240603, the Office of Nuclear Physics, U.S. Department of Energy under Contract No. DE-AC02-06CH11357, the DFG and the NSFC through the Sino-German CRC 110, the BMBF under Contract No. 05P12PDFTE, and the Helmholtz Association under Contract No. HA216/EMMI. NR 35 TC 15 Z9 15 U1 0 U2 12 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 JAN 29 PY 2014 VL 89 IS 1 AR 014325 DI 10.1103/PhysRevC.89.014325 PG 6 WC Physics, Nuclear SC Physics GA AC0BE UT WOS:000332158900003 ER PT J AU Tan, CY Schmidt, JS Schempp, A AF Tan, C. Y. Schmidt, J. S. Schempp, A. TI Simple lumped circuit model applied to field flatness tuning of four-rod radio frequency quadrupoles SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article AB The field flatness of any radio frequency quadrupole (RFQ) is an important parameter that needs to be carefully tuned because it can affect beam transmission efficiency. In four-rod RFQs, the heights of a set of tuning plates determine the quality of the field flatness. The goals of this paper are (a) to show that by using a lumped circuit model of a four-rod RFQ, the field flatness profile for any tuning plate height distribution can be quickly calculated, (b) to derive a perturbative solution of the model so that insights into the physics of the tuning process and its effects can be understood, and (c) to compare the predicted field profiles to measurements. C1 [Tan, C. Y.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Schmidt, J. S.; Schempp, A.] Goethe Univ, IAP, Frankfurt, Germany. RP Tan, CY (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM cytan@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy; Bundesministerium fur Bildung und Forschung (BMBF) FX We would like to thank R. Madrak for proofreading our manuscript. This work is supported by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the U.S. Department of Energy and the Bundesministerium fur Bildung und Forschung (BMBF). NR 16 TC 0 Z9 0 U1 1 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD JAN 29 PY 2014 VL 17 IS 1 AR 012002 DI 10.1103/PhysRevSTAB.17.012002 PG 18 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AC0GZ UT WOS:000332174100003 ER PT J AU Bazhirov, T Sakai, Y Saito, S Cohen, ML AF Bazhirov, Timur Sakai, Yuki Saito, Susumu Cohen, Marvin L. TI Electron-phonon coupling and superconductivity in Li-intercalated layered borocarbide compounds SO PHYSICAL REVIEW B LA English DT Article ID WANNIER FUNCTIONS; GRAPHITE; MGB2; BC3; ENERGY; STATE AB We explore the electron-phonon coupling and possible superconductivity in Li-intercalated borocarbide materials using precise Wannier interpolation-based first-principles technique. We find a T-c of 36.8 K for the previously suggested superconductor Li2B3C, however, we also propose another material Li4B5C3 with an estimated T-c of 16.8 K. Replacing BC layers with BC3 in Li2B3C allows the pi electronic states to be dominant at the Fermi level for Li4B5C3. We analyze wave-vector-resolved electron-phonon coupling parameters and suggest that Li4B5C3 may be more suitable for experimental fabrication than Li2B3C. C1 [Bazhirov, Timur; Sakai, Yuki; Cohen, Marvin L.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bazhirov, Timur; Cohen, Marvin L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Sakai, Yuki; Saito, Susumu] Tokyo Inst Technol, Dept Phys, Meguro Ku, Tokyo 1528551, Japan. RP Bazhirov, T (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. FU National Science Foundation [DMR10-1006184]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy [DE-AC02-05CH11231]; Japan Society for the Promotion of Science [12J08928]; NSF [COINS EEC-0832819] FX This work was supported by the National Science Foundation Grant No. DMR10-1006184 and by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Computational resources have been provided by the Lawrence Berkeley National Laboratory and the Department of Energy's NERSC supercomputing facility. Numerical calculations were also partly carried out on the TSUBAME2.0 supercomputer at the Tokyo Institute of Technology. Y.S. acknowledges financial support from Japan Society for the Promotion of Science (12J08928). T. B. acknowledges support from NSF award COINS EEC-0832819. NR 45 TC 2 Z9 2 U1 2 U2 20 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 JAN 29 PY 2014 VL 89 IS 4 AR 045136 DI 10.1103/PhysRevB.89.045136 PG 5 WC Physics, Condensed Matter SC Physics GA AC2AF UT WOS:000332298800001 ER PT J AU Chen, SY Wang, LW AF Chen, Shiyou Wang, Lin-Wang TI Double-hole-induced oxygen dimerization in transition metal oxides SO PHYSICAL REVIEW B LA English DT Article ID SEMICONDUCTORS; POTENTIALS AB Rather than being free carriers or separated single-hole polarons, double holes in anatase TiO2 prefer binding with each other, to form an O-O dimer after large structural distortion. This pushes the hole states upward into the conduction band and traps the holes. Similar double-hole-induced O-O dimerization (a bipolaron) exists also in other transition metal oxides (TMOs) such as V2O5 and MoO3, which have the highest valence bands composed mainly of O 2p states, loose lattices, and short O-O distances. Since the dimerization can happen in impurity-free TMO lattices, independent of any extrinsic dopant, it acts as an intrinsic and general limit to the p-type conductivity in these TMOs. C1 [Chen, Shiyou; Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Chen, Shiyou; Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynthesis, Berkeley, CA 94720 USA. [Chen, Shiyou] E China Normal Univ, Key Lab Polar Mat & Devices MOE, Shanghai 200241, Peoples R China. RP Chen, SY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM shiyouchen@lbl.gov; lwwang@lbl.gov FU Office of Science of the US DOE [DE-SC0004993]; NSFC [61106087, 91233121]; special funds for major state basic research [2012CB921401] FX This material is based upon work performed by the JCAP, a DOE Energy Innovation Hub, as follows: the calculations about anatase TiO2, MoO3, and ZnO were supported through the Office of Science of the US DOE under Award No. DE-SC0004993; the model development and calculations about rutile TiO2 and V2O5 were supported by the NSFC (Grants No. 61106087 and No. 91233121) and special funds for major state basic research (Grant No. 2012CB921401). NR 32 TC 4 Z9 4 U1 3 U2 28 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 JAN 29 PY 2014 VL 89 IS 1 AR 014109 DI 10.1103/PhysRevB.89.014109 PG 6 WC Physics, Condensed Matter SC Physics GA AC1YS UT WOS:000332294600001 ER PT J AU Garlea, VO Sanjeewa, LD McGuire, MA Kumar, P Sulejmanovic, D He, J Hwu, SJ AF Garlea, V. Ovidiu Sanjeewa, Liurukara D. McGuire, Michael A. Kumar, Pramod Sulejmanovic, Dino He, Jian Hwu, Shiou-Jyh TI Complex magnetic behavior of the sawtooth Fe chains in Rb2Fe2O(AsO4)(2) SO PHYSICAL REVIEW B LA English DT Article ID RECHARGEABLE LITHIUM BATTERIES; POWDER DIFFRACTION; REVERSAL; EXCITATIONS; LATTICE; YVO3 AB Results of magnetic field and temperature-dependent neutron-diffraction and magnetization measurements on oxy-arsenate Rb2Fe2O(AsO4)(2) are reported. The crystal structure of this compound contains pseudo-one-dimensional [Fe2O6](infinity) sawtoothlike chains, formed by corner-sharing isosceles triangles of Fe3+ ions occupying two nonequivalent crystallographic sites. The chains extend infinitely along the crystallographic b axis and are structurally confined from one another via diamagnetic (AsO4)(3-) units along the a axis and Rb+ cations along the c-axis direction. Neutron-diffraction measurements indicate the onset of a long-range antiferromagnetic order below approximately 25 K. The magnetic structure consists of ferrimagnetic chains which are antiferromagnetically coupled with each other. Within each chain, one of the two Fe sites carries a moment which lies along the b axis, while the second site bears a canted moment in the opposite direction. Externally applied magnetic field induces a transition to a ferrimagnetic state, in which the coupling between the sawtooth chains becomes ferromagnetic. Magnetization measurements performed on optically aligned single crystals reveal evidence for an uncompensated magnetization at low magnetic fields that could emerge from a phase-segregated state with ferrimagnetic inclusions or from antiferromagnetic domain walls. The observed magnetic states and the competition between them are expected to arise from strongly frustrated interactions within the sawtooth chains and relatively weak coupling between them. C1 [Garlea, V. Ovidiu] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Sanjeewa, Liurukara D.; Sulejmanovic, Dino; Hwu, Shiou-Jyh] Clemson Univ, Dept Chem, Clemson, SC 29634 USA. [McGuire, Michael A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Kumar, Pramod] Indian Inst Informat Technol, Allahabad 211012, Uttar Pradesh, India. [He, Jian] Clemson Univ, Dept Phys & Astron, Clemson, SC 29634 USA. RP Garlea, VO (reprint author), Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. EM garleao@ornl.gov RI Garlea, Vasile/A-4994-2016; McGuire, Michael/B-5453-2009 OI Garlea, Vasile/0000-0002-5322-7271; McGuire, Michael/0000-0003-1762-9406 FU Scientific User Facilities Division (neutron diffraction), Office of Basic Energy Sciences, US Department of Energy (DOE); National Science Foundation [DMR-0706426, CHE-9808165, CHE-9808044]; US DOE through the EPSCoR [DE-FG02-08ER46528]; Materials Sciences and Engineering Division (magnetization measurements), Office of Basic Energy Sciences, US Department of Energy (DOE) FX Work at the Oak Ridge National Laboratory was sponsored by the Scientific User Facilities Division (neutron diffraction) and Materials Sciences and Engineering Division (magnetization measurements), Office of Basic Energy Sciences, US Department of Energy (DOE). The authors acknowledge the financial support from the National Science Foundation: Grants No. DMR-0706426, No. CHE-9808165, and No. CHE-9808044. L.D.S. and D.S.'s travel to ORNL was supported by the US DOE through the EPSCoR Grant No. DE-FG02-08ER46528. NR 33 TC 1 Z9 1 U1 1 U2 10 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 JAN 29 PY 2014 VL 89 IS 1 AR 014426 DI 10.1103/PhysRevB.89.014426 PG 9 WC Physics, Condensed Matter SC Physics GA AC1YS UT WOS:000332294600005 ER PT J AU Wang, SB Zhang, JB Yan, JY Chen, XJ Struzhkin, V Tabis, W Barisic, N Chan, MK Dorow, C Zhao, XD Greven, M Mao, WL Geballe, T AF Wang, Shibing Zhang, Jianbo Yan, Jinyuan Chen, Xiao-Jia Struzhkin, Viktor Tabis, Wojciech Barisic, Neven Chan, Mun K. Dorow, Chelsey Zhao, Xudong Greven, Martin Mao, Wendy L. Geballe, Ted TI Strain derivatives of T-c in HgBa2CuO4+delta: The CuO2 plane alone is not enough SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTING TRANSITION-TEMPERATURE; PRESSURE-DEPENDENCE; LA2CUO4+DELTA; PEROVSKITES AB The strain derivatives of T-c along the a and c axes have been determined for HgBa2CuO4+delta (Hg1201), the simplest monolayer cuprate with the highest T-c of all monolayer cuprates (T-c = 97 K at optimal doping). The underdoped compound with the initial T-c of 65 K has been studied as a function of pressure up to 20 GPa by magnetic susceptibility and x-ray diffraction. The observed linear increase in T-c with pressure is the same as previously found for the optimally doped compound. The above results have enabled an investigation of the origins of the significantly different T-c values of optimally doped Hg1201 and the well-studied compound La2-xSrxCuO4 (LSCO), which has a maximal T-c of 40 K, or only 40% of that of Hg1201. Hg1201 can have almost identical CuO6 octahedra as LSCO if specifically strained. When the apical and in-plane CuO2 distances are the same for the two compounds, a large discrepancy in their T-c remains. Differences in crystal structures and interactions involving the Hg-O charge reservoir layers of Hg1201 may be responsible for the different T-c values exhibited by the two compounds. C1 [Wang, Shibing; Mao, Wendy L.] Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. [Wang, Shibing] SLAC Natl Accelerator Lab, SIMES, Menlo Pk, CA 94025 USA. [Zhang, Jianbo] S China Univ Technol, Dept Phys, Guangzhou 510640, Guangdong, Peoples R China. [Yan, Jinyuan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Yan, Jinyuan] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. [Chen, Xiao-Jia; Struzhkin, Viktor] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. [Chen, Xiao-Jia] Ctr High Pressure Sci & Technol Adv Res, Shanghai 201203, Peoples R China. [Tabis, Wojciech; Barisic, Neven; Chan, Mun K.; Dorow, Chelsey; Zhao, Xudong; Greven, Martin] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Tabis, Wojciech] AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, PL-30059 Krakow, Poland. [Barisic, Neven] CEA, DSM, IRAMIS, Serv Phys Etat Condense, F-91198 Gif Sur Yvette, France. [Zhao, Xudong] Jilin Univ, State Key Lab Inorgan Synth & Preparat Chem, Changchun 130012, Peoples R China. [Mao, Wendy L.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Geballe, Ted] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. [Geballe, Ted] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. RP Wang, SB (reprint author), Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. EM shibingw@stanford.edu RI Barisic, Neven/E-4246-2015 FU EFree, an Energy Frontier Research Center; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences(BES) [DE-SG0001057]; Stanford Institute for Materials and Energy Science [DE-AC02-76SF00515]; DOE-BES [DE-SC0006858, DE-AC02-05CH11231]; Marie Curie Fellowship FX The authors are grateful for discussion with W. Nix, S. Raghu, D. Scalapino, and G. Yu. The authors thank S. Tkachev for help with gas loading at the Advanced Photon Source. S. W., Z.J.B., X.J.C., V. S., and W. L. M. are supported by EFree, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences(BES) under Contract No. DE-SG0001057. Travel to facilities is supported by Stanford Institute for Materials and Energy Science (Contract No. DE-AC02-76SF00515). The work at the University of Minnesota was supported by DOE-BES under Contract No. DE-SC0006858. N.B. acknowledges support though a Marie Curie Fellowship. A. L. S. is supported by DOE-BES under Contract No. DE-AC02-05CH11231. NR 46 TC 2 Z9 2 U1 6 U2 20 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 JAN 29 PY 2014 VL 89 IS 2 AR 024515 DI 10.1103/PhysRevB.89.024515 PG 7 WC Physics, Condensed Matter SC Physics GA AC1YY UT WOS:000332295200003 ER PT J AU Agrawal, P Kilic, C White, C Yu, JH AF Agrawal, Prateek Kilic, Can White, Craig Yu, Jiang-Hao TI Improved mass measurement using the boundary of many-body phase space SO PHYSICAL REVIEW D LA English DT Article ID HADRON COLLIDERS; TOP-QUARK; SPLIT SUPERSYMMETRY; ELEMENT AB We show that mass measurements for new particles appearing in decay chains can be improved by determining the boundary of the available phase space in its full dimensionality rather than by using one-dimensional kinematic features for each stage of the cascade decay. This is demonstrated for the case of one particle decaying to three visible and one invisible particles in a two-stage cascade, but our methods also apply to a more general set of decay topologies. We show that not only mass differences but also the overall scale of masses can be determined with high precision without having to rely on cross section information. The improvement arises from the properties of the higher-dimensional phase space itself, independent of the matrix element for the decay, and it is not weakened by the presence of intermediate on-shell particles in the cascade. Our results are particularly significant for the case of low signal statistics, a distinct possibility for new physics searches in the near future. C1 [Agrawal, Prateek] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Kilic, Can; White, Craig; Yu, Jiang-Hao] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Kilic, Can; White, Craig; Yu, Jiang-Hao] Univ Texas Austin, Texas Cosmol Ctr, Theory Grp, Austin, TX 78712 USA. RP Agrawal, P (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM prateek@fnal.gov; kilic@physics.utexas.edu; yujh@physics.utexas.edu RI Yu, Jiang-Hao/O-4432-2014; OI Agrawal, Prateek/0000-0001-9947-0632 FU NSF [PHY-0969020]; United States Department of Energy [DE-AC02-07CH11359]; National Science Foundation [PHYS-1066293, NSF PHY11-25915] FX We thank Kuver Sinha for collaboration in the early phases of this work. P. A. would like to thank Ciaran Williams for helpful discussion. The research of C. K. and J. H. Y. was supported in part by NSF Grant No. PHY-0969020. Fermilab is operated by the Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the United States Department of Energy. C. K. would like to thank the Aspen Center for Physics where part of this work was completed (supported by the National Science Foundation under Grant No. PHYS-1066293). C. K. would also like to thank the Kavli Institute for Theoretical Physics where part of this work was completed (supported by the National Science Foundation under Grant No. NSF PHY11-25915). NR 89 TC 3 Z9 3 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 JAN 29 PY 2014 VL 89 IS 1 AR 015021 DI 10.1103/PhysRevD.89.015021 PG 18 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AB6BL UT WOS:000331872300004 ER PT J AU Aad, G Abajyan, T Abbott, B Abdallah, J Khalek, SA Abdinov, O Aben, R Abi, B Abolins, M AbouZeid, OS Abramowicz, H Abreu, H Abulaiti, Y Acharya, BS Adamczyk, L Adams, DL Addy, TN Adelman, J Adomeit, S Adye, T Aefsky, S Agatonovic-Jovin, T Aguilar-Saavedra, JA Agustoni, M Ahlen, SP Ahmad, A Ahmadov, F Ahsan, M Aielli, G Akesson, TP Akimoto, G Akimov, AV Alam, MA Albert, J Albrand, S Verzini, MJA Aleksa, M Aleksandrov, IN Alessandria, F Alexa, C Alexander, G Alexandre, G Alexopoulos, T Alhroob, M Aliev, M Alimonti, G Alio, L Alison, J Allbrooke, BMM Allison, LJ Allport, PP Allwood-Spiers, SE Almond, J Aloisio, A Alon, R Alonso, A Alonso, F Altheimer, A Gonzalez, BA Alviggi, MG Amako, K Coutinho, YA Amelung, C Ammosov, VV Dos Santos, SPA Amorim, A Amoroso, S Amram, N Amundsen, G Anastopoulos, C Ancu, LS Andari, N Andeen, T Anders, CF Anders, G Anderson, KJ Andreazza, A Andrei, V Anduaga, XS Angelidakis, S Anger, P Angerami, A Anghinolfi, F Anisenkov, AV Anjos, N Annovi, A Antonaki, A Antonelli, M Antonov, A Antos, J Anulli, F Aoki, M Bella, LA Apolle, R Arabidze, G Aracena, I Arai, Y Arce, ATH Arfaoui, S Arguin, JF Argyropoulos, S Arik, E Arik, M Armbruster, AJ Arnaez, O Arnal, V Arslan, O Artamonov, A Artoni, G Asai, S Asbah, N Ask, S Asman, B Asquith, L Assamagan, K Astalos, R Astbury, A Atkinson, M Atlay, NB Auerbach, B Auge, E Augsten, K Aurousseau, M Avolio, G Azuelos, G Azuma, Y Baak, MA Bacci, C Bach, AM Bachacou, H Bachas, K Backes, M Backhaus, M Mayes, JB Badescu, E Bagiacchi, P Bagnaia, P Bai, Y Bailey, DC Bain, T Baines, JT Baker, OK Baker, S Balek, P Balli, F Banas, E Banerjee, S Banfi, D Bangert, A Bansal, V Bansil, HS Barak, L Baranov, SP Barber, T Barberio, EL Barberis, D Barbero, M Bardin, DY Barillari, T Barisonzi, M Barklow, T Barlow, N Barnett, BM Barnett, RM Baroncelli, A Barone, G Barr, AJ Barreiro, F Da Costa, JBG Bartoldus, R Barton, AE Bartsch, V Bassalat, A Basye, A Bates, RL Batkova, L Batley, JR Battistin, M Bauer, F Bawa, HS Beau, T Beauchemin, PH Beccherle, R Bechtle, P Beck, HP Becker, K Becker, S Beckingham, M Beddall, AJ Beddall, A Bedikian, S Bednyakov, VA Bee, CP Beemster, LJ Beermann, TA Begel, M Behr, K Belanger-Champagne, C Bell, PJ Bell, WH Bella, G Bellagamba, L Bellerive, A Bellomo, M Belloni, A Beloborodova, OL Belotskiy, K Beltramello, O Benary, O Benchekroun, D Bendtz, K Benekos, N Benhammou, Y Noccioli, EB Garcia, JAB Benjamin, DP Bensinger, JR Benslama, K Bentvelsen, S Berge, D Kuutmann, EB Berger, N Berghaus, F Berglund, E Beringer, J Bernard, C Bernat, P Bernhard, R Bernius, C Bernlochner, FU Berry, T Berta, P Bertella, C Bertolucci, F Besana, MI Besjes, GJ Bessidskaia, O Besson, N Bethke, S Bhimji, W Bianchi, RM Bianchini, L Bianco, M Biebel, O Bieniek, SP Bierwagen, K Biesiada, J Biglietti, M De Mendizabal, JB Bilokon, H Bindi, M Binet, S Bingul, A Bini, C Bittner, B Black, CW Black, JE Black, KM Blackburn, D Blair, RE Blanchard, JB Blazek, T Bloch, I Blocker, C Blocki, J Blum, W Blumenschein, U Bobbink, GJ Bobrovnikov, VS Bocchetta, SS Bocci, A Boddy, CR Boehler, M Boek, J Boek, TT Boelaert, N Bogaerts, JA Bogdanchikov, AG Bogouch, A Bohm, C Bohm, J Boisvert, V Bold, T Boldea, V Boldyrev, AS Bolnet, NM Bomben, M Bona, M Boonekamp, M Bordoni, S Borer, C Borisov, A Borissov, G Borri, M Borroni, S Bortfeldt, J Bortolotto, V Bos, K Boscherini, D Bosman, M Boterenbrood, H Bouchami, J Boudreau, J Bouhova-Thacker, EV Boumediene, D Bourdarios, C Bousson, N Boutouil, S Boveia, A Boyd, J Boyko, IR Bozovic-Jelisavcic, I Bracinik, J Branchini, P Brandt, A Brandt, G Brandt, O Bratzler, U Brau, B Brau, JE Braun, HM Brazzale, SF Brelier, B Brendlinger, K Brenner, R Bressler, S Bristow, TM Britton, D Brochu, FM Brock, I Brock, R Broggi, F Bromberg, C Bronner, J Brooijmans, G Brooks, T Brooks, WK Brosamer, J Brost, E Brown, G Brown, J de Renstrom, PAB Bruncko, D Bruneliere, R Brunet, S Bruni, A Bruni, G Bruschi, M Bryngemark, L Buanes, T Buat, Q Bucci, F Buchanan, J Buchholz, P Buckingham, RM Buckley, AG Buda, SI Budagov, IA Budick, B Buehrer, F Bugge, L Bulekov, O Bundock, AC Bunse, M Burckhart, H Burdin, S Burgess, T Burke, S Burmeister, I Busato, E Buescher, V Bussey, P Buszello, CP Butler, B Butler, JM Butt, AI Buttar, CM Butterworth, JM Buttinger, W Buzatu, A Byszewski, M Urban, SC Caforio, D Cakir, O Calafiura, P Calderini, G Calfayan, P Calkins, R Caloba, LP Caloi, R Calvet, D Calvet, S Toro, RC Camarri, P Cameron, D Caminada, LM Armadans, RC Campana, S Campanelli, M Canale, V Canelli, F Canepa, A Cantero, J Cantrill, R Cao, T Garrido, MDMC Caprini, I Caprini, M Capua, M Caputo, R Cardarelli, R Carli, T Carlino, G Carminati, L Caron, S Carquin, E Carrillo-Montoya, GD Carter, AA Carter, JR Carvalho, J Casadei, D Casado, MP Caso, C Castaneda-Miranda, E Castelli, A Gimenez, VC Castro, NF Catastini, P Catinaccio, A Catmore, JR Cattai, A Cattani, G Caughron, S Cavaliere, V Cavalli, D Cavalli-Sforza, M Cavasinni, V Ceradini, F Cerio, B Cerny, K Cerqueira, AS Cerri, A Cerrito, L Cerutti, F Cervelli, A Cetin, SA Chafaq, A Chakraborty, D Chalupkova, I Chan, K Chang, P Chapleau, B Chapman, JD Chapman, JW Charfeddine, D Charlton, DG Chavda, V Barajas, CAC Cheatham, S Chekanov, S Chekulaev, SV Chelkov, GA Chelstowska, MA Chen, C Chen, H Chen, K Chen, S Chen, X Chen, Y Cheng, Y Cheplakov, A El Moursli, RC Chernyatin, V Cheu, E Chevalier, L Chiarella, V Chiefari, G Childers, JT Chilingarov, A Chiodini, G Chisholm, AS Chislett, RT Chitan, A Chizhov, MV Choudalakis, G Chouridou, S Chow, BKB Christidi, IA Chromek-Burckhart, D Chu, ML Chudoba, J Ciapetti, G Ciftci, AK Ciftci, R Cinca, D Cindro, V Ciocio, A Cirilli, M Cirkovic, P Citron, ZH Citterio, M Ciubancan, M Clark, A Clark, PJ Clarke, RN Clemens, JC Clement, B Clement, C Coadou, Y Cobal, M Coccaro, A Cochran, J Coelli, S Coffey, L Cogan, JG Coggeshall, J Colas, J Cole, B Cole, S Colijn, AP Collins-Tooth, C Collot, J Colombo, T Colon, G Compostella, G Muino, PC Coniavitis, E Conidi, MC Consonni, SM Consorti, V Constantinescu, S Conta, C Conti, G Conventi, F Cooke, M Cooper, BD Cooper-Sarkar, AM Cooper-Smith, NJ Copic, K Cornelissen, T Corradi, M Corriveau, F Corso-Radu, A Cortes-Gonzalez, A Cortiana, G Costa, G Costa, MJ Costanzo, D Cote, D Cottin, G Courneyea, L Cowan, G Cox, BE Cranmer, K Cree, G Crepe-Renaudin, S Crescioli, F Cristinziani, M Crosetti, G Cuciuc, CM Almenar, CC Donszelmann, TC Cummings, J Curatolo, M Cuthbert, C Czirr, H Czodrowski, P Czyczula, Z D'Auria, S D'Onofrio, M D'Orazio, A De Sousa, MJDS Da Via, C Dabrowski, W Dafinca, A Dai, T Dallaire, F Dallapiccola, C Dam, M Damiani, DS Daniells, AC Hoffmann, MD Dao, V Darbo, G Darlea, GL Darmora, S Dassoulas, JA Davey, W David, C Davidek, T Davies, E Davies, M Davignon, O Davison, AR Davygora, Y Dawe, E Dawson, I Daya-Ishmukhametova, RK De, K de Asmundis, R De Castro, S De Cecco, S De Graat, J De Groot, N De Jong, P De la Taille, C De la Torre, H De Lorenzi, F De Nooij, L De Pedis, D De Salvo, A De Sanctis, U De Santo, A De Regie, JBD De Zorzi, G Dearnaley, WJ Debbe, R Debenedetti, C Dechenaux, B Dedovich, DV Degenhardt, J Del Peso, J Del Prete, T Delemontex, T Deliot, F Deliyergiyev, M Dell'Acqua, A Dell'Asta, L Della Pietra, M della Volpe, D Delmastro, M Delsart, PA Deluca, C Demers, S Demichev, M Demilly, A Demirkoz, B Denisov, SP Derendarz, D Derkaoui, JE Derue, F Dervan, P Desch, K Deviveiros, PO Dewhurst, A DeWilde, B Dhaliwal, S Dhullipudi, R Di Ciaccio, A Di Ciaccio, L Di Donato, C Di Girolamo, A Di Girolamo, B Di Mattia, A Di Micco, B Di Nardo, R Di Simone, A Di Sipio, R Di Valentino, D Diaz, MA Diehl, EB Dietrich, J Dietzsch, TA Diglio, S Yagci, KD Dingfelder, J Dionisi, C Dita, P Dita, S Dittus, F Djama, F Djobava, T do Vale, MAB Wemans, AD Doan, TKO Dobos, D Dobson, E 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Della Porta, G. Zevi Zhang, D. Zhang, H. Zhang, J. Zhang, L. Zhang, X. Zhang, Z. Zhao, Z. Zhemchugov, A. Zhong, J. Zhou, B. Zhou, L. Zhou, N. Zhu, C. G. Zhu, H. Zhu, J. Zhu, Y. Zhuang, X. Zibell, A. Zieminska, D. Zimin, N. I. Zimmermann, C. Zimmermann, R. Zimmermann, S. Zimmermann, S. Zinonos, Z. Ziolkowski, M. Zitoun, R. Zivkovic, L. Zobernig, G. Zoccoli, A. Nedden, M. Zur Zurzolo, G. Zutshi, V. Zwalinski, L. CA ATLAS Collaboration TI Search for Dark Matter in Events with a Hadronically Decaying W or Z Boson and Missing Transverse Momentum in pp Collisions at root s=8 TeV with the ATLAS Detector SO PHYSICAL REVIEW LETTERS LA English DT Article ID CONSTRAINTS AB A search is presented for dark matter pair production in association with a W or Z boson in pp collisions representing 20.3 fb(-1) of integrated luminosity at root s = 8 TeV using data recorded with the ATLAS detector at the Large Hadron Collider. Events with a hadronic jet with the jet mass consistent with a W or Z boson, and with large missing transverse momentum are analyzed. The data are consistent with the standard model expectations. Limits are set on the mass scale in effective field theories that describe the interaction of dark matter and standard model particles, and on the cross section of Higgs production and decay to invisible particles. In addition, cross section limits on the anomalous production of W or Z bosons with large missing transverse momentum are set in two fiducial regions. C1 [Jackson, P.; McPherson, R. A.; Soni, N.; White, M. J.] Univ Adelaide, Sch Chem & Phys, Adelaide, SA, Australia. [Edson, W.; Ernst, J.; Guindon, S.; Jain, V.] SUNY Albany, Dept Phys, Albany, NY 12222 USA. [Butt, A. I.; Chan, K.; Gingrich, D. M.; Moore, R. W.; Pinfold, J. L.; Saddique, A.; Sbrizzi, A.; Subramania, H. S.; Vaque, F. Vives] Univ Alberta, Dept Phys, Edmonton, AB, Canada. [Cakir, O.; Ciftci, A. K.; Ciftci, R.; Yildiz, H. Duran; Kuday, S.] Ankara Univ, Dept Phys, TR-06100 Ankara, Turkey. [Yilmaz, M.] Gazi Univ, Dept Phys, Ankara, Turkey. [Sultansoy, S.] TOBB Univ Econ & Technol, Div Phys, Ankara, Turkey. [Cakir, I. Turk] Turkish Atom Energy Commiss, Ankara, Turkey. [Berger, N.; Colas, J.; Delmastro, M.; Di Ciaccio, L.; Doan, T. K. O.; Elles, S.; Goy, C.; Hryn'ova, T.; Jezequel, S.; Keoshkerian, H.; Koletsou, I.; Lafaye, R.; Leveque, J.; Lombardo, V. P.; Massol, N.; Petit, E.; Przysiezniak, H.; Sauvage, G.; Sauvan, E.; Schwoerer, M.; Simard, O.; Todorov, T.; Wingerter-Seez, I.; Zitoun, R.] CNRS IN2P3, LAPP, Annecy Le Vieux, France. [Berger, N.; Colas, J.; Delmastro, M.; Di Ciaccio, L.; Doan, T. K. O.; Elles, S.; Goy, C.; Hryn'ova, T.; Jezequel, S.; Keoshkerian, H.; Koletsou, I.; Lafaye, R.; Leveque, J.; Lombardo, V. P.; Massol, N.; Petit, E.; Przysiezniak, H.; Sauvage, G.; Sauvan, E.; Schwoerer, M.; Simard, O.; Todorov, T.; Wingerter-Seez, I.; Zitoun, R.] Univ Savoie, Annecy Le Vieux, France. [Asquith, L.; Auerbach, B.; Blair, R. E.; Chekanov, S.; Feng, E. J.; Fernando, W.; Goshaw, A. T.; LeCompte, T.; Love, J.; Malon, D.; Nguyen, D. H.; Nodulman, L.; Paramonov, A.; Price, L. E.; Proudfoot, J.; Ferrando, B. M. Salvachua; Stanek, R. W.; Van Gemmeren, P.; Vaniachine, A.; Yoshida, R.; Zhang, J.] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. [Cheu, E.; Johns, K. A.; Kaushik, V.; Lampen, C. L.; Lampl, W.; Leone, R.; Loch, P.; O'grady, F.; Ruehr, F.; Rutherfoord, J. P.; Shupe, M. A.; Varnes, E. W.; Veatch, J.] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. [Brandt, A.; Cote, D.; Darmora, S.; De, K.; Farbin, A.; Griffiths, J.; Hadavand, H. K.; Heelan, L.; Hernandez, C. M.; Maeno, M.; Nilsson, P.; Ozturk, N.; Pravahan, R.; Sarkisyan-Grinbaum, E.; Sosebee, M.; Spurlock, B.; Stradling, A. R.; Usai, G.; Vartapetian, A.; White, A.; Yu, J.] Univ Texas Arlington, Dept Phys, Arlington, TX 76019 USA. [Angelidakis, S.; Antonaki, A.; Chouridou, S.; Fassouliotis, D.; Giokaris, N.; Ioannou, P.; Iordanidou, K.; Kourkoumelis, C.; Manousakis-Katsikakis, A.; Tsirintanis, N.] Univ Athens, Dept Phys, Athens, Greece. [Alexopoulos, T.; Byszewski, M.; Dris, M.; Gazis, E. N.; Iakovidis, G.; Karakostas, K.; Karastathis, N.; Leontsinis, S.; Maltezos, S.; Mountricha, E.; Ntekas, K.; Panagiotopoulou, E.; Papadopoulou, T. D.; Tsipolitis, G.; Vlachos, S.] Natl Tech Univ Athens, Dept Phys, Zografos, Greece. [Abdinov, O.; Ahmadov, F.; Huseynov, N.; Khalil-Zada, F.] Azerbaijan Acad Sci, Inst Phys, Baku 370143, Azerbaijan. [Abdallah, J.; Bosman, M.; Armadans, R. Caminal; Casado, M. P.; Cavalli-Sforza, M.; Conidi, M. C.; Cortes-Gonzalez, A.; Demirkoz, B.; Curull, X. Espinal; Francavilla, P.; Giangiobbe, V.; Parra, G. Gonzalez; Grinstein, S.; Juste Rozas, A.; Korolkov, I.; Le Menedeu, E.; Martinez, M.; Mir, L. M.; Berlingen, J. Montejo; Nadal, J.; Pages, A. Pacheco; Aranda, C. Padilla; Bueso, X. Portell; Riu, I.; Rossetti, V.; Rubbo, F.; Succurro, A.; Tsiskaridze, S.] Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 Barcelona, Spain. [Abdallah, J.; Bosman, M.; Armadans, R. Caminal; Casado, M. P.; Cavalli-Sforza, M.; Conidi, M. C.; Cortes-Gonzalez, A.; Demirkoz, B.; Curull, X. Espinal; Francavilla, P.; Giangiobbe, V.; Parra, G. Gonzalez; Grinstein, S.; Juste Rozas, A.; Korolkov, I.; Le Menedeu, E.; Martinez, M.; Mir, L. M.; Berlingen, J. Montejo; Nadal, J.; Pages, A. Pacheco; Aranda, C. Padilla; Bueso, X. Portell; Riu, I.; Rossetti, V.; Rubbo, F.; Succurro, A.; Tsiskaridze, S.] Univ Autonoma Barcelona, Dept Fis, E-08193 Barcelona, Spain. [Krstic, J.; Popovic, D. S.; Sijacki, D.; Simic, L.] Univ Belgrade, Inst Phys, Belgrade, Serbia. [Agatonovic-Jovin, T.; Bozovic-Jelisavcic, I. O.; Cirkovic, P.; Mamuzic, J.] Univ Belgrade, Vinca Inst Nucl Sci, Belgrade, Serbia. [Buanes, T.; Burgess, T.; Eigen, G.; Kastanas, A.; Liebig, W.; Lipniacka, A.; Rosendahl, P. L.; Sandaker, H.; Sjursen, T. B.; Stugu, B.; Tonoyan, A.; Ugland, M.] Univ Bergen, Dept Phys & Technol, Bergen, Norway. [Bach, A. M.; Barnett, R. M.; Beringer, J.; Biesiada, J.; Brandt, G.; Brosamer, J.; Calafiura, P.; Caminada, L. M.; Cerri, A.; Cerutti, F.; Ciocio, A.; Clarke, R. N.; Cooke, M.; Copic, K.; Dube, S.; Einsweiler, K.; Garcia-Sciveres, M.; Gilchriese, M.; Haber, C.; Hance, M.; Heinemann, B.; Hinchliffe, I.; Holmes, T. R.; Hurwitz, M.; Lavrijsen, W.; Leggett, C.; Loscutoff, P.; Madaras, R. J.; Marshall, Z.; Ovcharova, A.; Griso, S. Pagan; Potamianos, K.; Pranko, A.; Quarrie, D. R.; Shapiro, M.; Skinnari, L. A.; Sood, A.; Tibbetts, M. J.; Tsulaia, V.; Vahsen, S.; Varouchas, D.; Virzi, J.; Yu, D. R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Phys, Berkeley, CA 94720 USA. [Bach, A. M.; Barnett, R. M.; Beringer, J.; Biesiada, J.; Brandt, G.; Brosamer, J.; Calafiura, P.; Caminada, L. M.; Cerri, A.; Cerutti, F.; Ciocio, A.; Clarke, R. N.; Cooke, M.; Copic, K.; Dube, S.; Einsweiler, K.; Garcia-Sciveres, M.; Gilchriese, M.; Haber, C.; Hance, M.; Heinemann, B.; Hinchliffe, I.; Holmes, T. R.; Hurwitz, M.; Lavrijsen, W.; Leggett, C.; Loscutoff, P.; Madaras, R. J.; Marshall, Z.; Ovcharova, A.; Griso, S. Pagan; Potamianos, K.; Pranko, A.; Quarrie, D. R.; Shapiro, M.; Skinnari, L. A.; Sood, A.; Tibbetts, M. J.; Tsulaia, V.; Vahsen, S.; Varouchas, D.; Virzi, J.; Yu, D. R.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Aliev, M.; Kuutmann, E. Bergeaas; Giorgi, F. M.; Grancagnolo, S.; Herbert, G. H.; Herrberg-Schubert, R.; Hristova, I.; Kind, O.; Kolanoski, H.; Kwee, R.; Lacker, H.; Leyton, M.; Lohse, T.; Nikiforov, A.; Rieck, P.; Schulz, H.; Wendland, D.; Nedden, M. Zur] Humboldt Univ, Dept Phys, Berlin, Germany. [Agustoni, M.; Ancu, L. S.; Beck, H. P.; Borer, C.; Cervelli, A.; Ereditato, A.; Martin, T. Fonseca; Gallo, V.; Haug, S.; Kruker, T.; Marti, L. F.; Schneider, B.; Sciacca, F. G.; Stucci, S. A.; Weber, M. S.] Univ Bern, Albert Einstein Ctr Fundamental Phys, Bern, Switzerland. [Agustoni, M.; Ancu, L. S.; Beck, H. P.; Borer, C.; Cervelli, A.; Ereditato, A.; Martin, T. Fonseca; Gallo, V.; Haug, S.; Kruker, T.; Marti, L. F.; Schneider, B.; Sciacca, F. G.; Stucci, S. A.; Weber, M. S.] Univ Bern, High Energy Phys Lab, Bern, Switzerland. [Allbrooke, B. M. M.; Bella, L. Aperio; Bansil, H. S.; Bracinik, J.; Charlton, D. G.; Chisholm, A. S.; Daniells, A. C.; Hawkes, C. M.; Head, S. J.; Hillier, S. J.; Mahout, G.; Mclaughlan, T.; Mudd, R. D.; Quijada, J. A. Murillo; Newman, P. R.; Nikolopoulos, K.; Palmer, J. D.; Slater, M.; Thomas, J. P.; Thompson, P. D.; Watkins, P. M.; Watson, A. T.; Watson, M. F.; Wilson, J. A.] Univ Birmingham, Sch Phys & Astron, Birmingham, W Midlands, England. [Arik, E.; Arik, M.; Istin, S.; Ozcan, V. E.] Bogazici Univ, Dept Phys, Istanbul, Turkey. [Cetin, S. A.] Dogus Univ, Dept Phys, Istanbul, Turkey. [Beddall, A. J.; Beddall, A.; Bingul, A.] GaziantepUniversity, Dept Engn Phys, Gaziantep, Turkey. [Bellagamba, L.; Bindi, M.; Boscherini, D.; Bruni, A.; Bruni, G.; Bruschi, M.; Caforio, D.; Corradi, M.; De Castro, S.; Di Sipio, R.; Fabbri, L.; Franchini, M.; Gabrielli, A.; Giacobbe, B.; Grafstroem, P.; Jha, M. K.; Massa, I.; Mengarelli, A.; Monzani, S.; Negrini, M.; Piccinini, M.; Polini, A.; Rinaldi, L.; Sbarra, C.; Semprini-Cesari, N.; Spighi, R.; Tupputi, S. A.; Valentinetti, S.; Villa, M.; Zoccoli, A.] Ist Nazl Fis Nucl, Sez Bologna, Florence, Italy. [Bindi, M.; Caforio, D.; De Castro, S.; Di Sipio, R.; Fabbri, L.; Franchini, M.; Gabrielli, A.; Grafstroem, P.; Massa, I.; Mengarelli, A.; Monzani, S.; Piccinini, M.; Romano, M.; Semprini-Cesari, N.; Tupputi, S. A.; Valentinetti, S.; Villa, M.; Zoccoli, A.] Univ Bologna, Dipartimento Fis & Astron, Bologna, Italy. [Abajyan, T.; Arslan, O.; Backhaus, M.; Bechtle, P.; Brock, I.; Cristinziani, M.; Davey, W.; Desch, K.; Dingfelder, J.; Ehrenfeld, W.; Gaycken, G.; Geich-Gimbel, C.; Glatzer, J.; Gonella, L.; Haefner, P.; Hageboeck, S.; Havranek, M.; Hellmich, D.; Hillert, S.; Huegging, F.; Janssen, J.; Khoriauli, G.; Koevesarki, P.; Kraus, J. K.; Kroseberg, J.; Krueger, H.; Lapoire, C.; Lehmacher, M.; Leyko, A. M.; Liebal, J.; Limbach, C.; Loddenkoetter, T.; Mergelmeyer, S.; Mueller, K.; Nanava, G.; Nattermann, T.; Nuncio-Quiroz, A-E.; Pohl, D.; Psoroulas, S.; Sarrazin, B.; Schaepe, S.; Schultens, M. J.; Schwindt, T.; Scutti, F.; 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.; Wong, K. H. Yau; Zimmermann, R.; Zimmermann, S.] Univ Bonn, Inst Phys, Bonn, Germany. [Ahlen, S. P.; Bernard, C.; Black, K. M.; Dell'Asta, L.; Helary, L.; Kostyukhin, V. V.; Kruskal, M.; Shank, J. T.; Yan, Z.; Youssef, S.] Boston Univ, Dept Phys, Boston, MA 02215 USA. [Aefsky, S.; Amelung, C.; Amundsen, G.; Bensinger, J. R.; Bianchini, L.; Blocker, C.; Coffey, L.; Daya-Ishmukhametova, R. K.; Fitzgerald, E. A.; Gozpinar, S.; Pomeroy, D.; Sciolla, G.; Zambito, S.] Brandeis Univ, Dept Phys, Waltham, MA 02254 USA. [Amaral Coutinho, Y.; Caloba, L. P.; Maidantchik, C.; Marroquim, F.; Nepomuceno, A. A.; 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, Sao Joao Del Rei, Brazil. [Donadelli, M.; Leite, M. A. L.] Univ Sao Paulo, Inst Fis, Sao Paulo, Brazil. [Adams, D. L.; Assamagan, K.; Begel, M.; Chen, H.; Chernyatin, V.; Debbe, R.; Ernst, M.; Gadfort, T.; Gibbard, B.; Gordon, H. A.; Hu, X.; Klimentov, A.; Kravchenko, A.; Lanni, F.; Lissauer, D.; Lynn, D.; Ma, H.; Maeno, T.; Metcalfe, J.; Nevski, P.; Okawa, H.; Damazio, D. Oliveira; Paige, F.; Panitkin, S.; Pleier, M-A.; Polychronakos, V.; Protopopescu, S.; Purohit, M.; Radeka, V.; Rajagopalan, S.; Redlinger, G.; Schovancova, J.; Snyder, S.; Steinberg, P.; Stumer, I.; Takai, H.; Triplett, N.; Undrus, A.; Wenaus, T.; Ye, S.; Zaytsev, A.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Alexa, C.; Badescu, E.; Boldea, V.; Buda, S. I.; Caprini, I.; Caprini, M.; Chitan, A.; Ciubancan, M.; Constantinescu, S.; Cuciuc, C-M.; Dita, P.; Dita, S.; Ducu, O. A.; Jinaru, A.; Olariu, A.; Pantea, D.; Rotaru, M.; Stoicea, G.; Tudorache, A.; Tudorache, V.] Natl Inst Phys & Nucl Engn, Bucharest, Romania. [Popeneciu, G. A.] Natl Inst Res & Dev Isotop & Mol Technol, Dept Phys, Cluj Napoca, Romania. [Darlea, G. L.] Univ Politehn Bucuresti, Bucharest, Romania. West Univ Timisoara, Timisoara, Romania. [Silva, M. L. Gonzalez; Otero Y Garzon, G.; Piegaia, R.; Romeo, G.] Univ Buenos Aires, Dept Fis, Buenos Aires, 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.; Gillam, T. P. S.; Hill, J. C.; Kaneti, S.; Khoo, T. J.; Lester, C. G.; Moeller, V.; Mueller, T.; Parker, M. A.; Robinson, D.; Sandoval, T.; Thomson, M.; Ward, C. P.; Williams, S.] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. [Bellerive, A.; Cree, G.; Di Valentino, D.; Koffas, T.; Lacey, J.; Marchand, J. F.; McCarthy, T. G.; Oakham, F. G.; Tarrade, F.; Ueno, R.; Vincter, M. G.; Whalen, K.] Carleton Univ, Dept Phys, Ottawa, ON K1S 5B6, Canada. [Aleksa, M.; Anastopoulos, C.; Andari, N.; Anghinolfi, F.; Avolio, G.; Baak, M. A.; Backes, M.; Banfi, D.; Battistin, M.; Bellomo, M.; Beltramello, O.; Berge, D.; Bianco, M.; Bogaerts, J. A.; Boyd, J.; Burckhart, H.; Campana, S.; Garrido, M. D. M. Capeans; Carli, T.; Catinaccio, A.; Cattai, A.; Barajas, C. A. Chavez; Childers, J. T.; Chromek-Burckhart, D.; Dell'Acqua, A.; Di Girolamo, A.; Di Girolamo, B.; Dittus, F.; Dobos, D.; Dopke, J.; Dudarev, A.; Duehrssen, M.; Ellis, N.; Elsing, M.; Facini, G.; Farthouat, P.; Fassnacht, P.; Franchino, S.; Francis, D.; Froidevaux, D.; Garonne, V.; Gianotti, F.; Gillberg, D.; Godlewski, J.; Goossens, L.; Gorini, B.; Gray, H. M.; Hauschild, M.; Hawkings, R. J.; Heller, M.; Helsens, C.; Correia, A. M. Henriques; Hervas, L.; Hoecker, A.; Hubacek, Z.; Huhtinen, M.; Jaekel, M. R.; Jansen, H.; Jungst, R. M.; Kaneda, M.; Klioutchnikova, T.; Lantzsch, K.; Lassnig, M.; Miotto, G. Lehmann; Lenzi, B.; Lichard, P.; Macina, D.; Malyukov, S.; Mapelli, L.; Martin, B.; Messina, A.; Meyer, J.; Michal, S.; Molfetas, A.; Mornacchi, G.; Nairz, A. M.; Nakahama, Y.; Negri, G.; Nessi, M.; Nicquevert, B.; Nordberg, M.; Ohm, C. C.; Palestini, S.; Pauly, T.; Pernegger, H.; Peters, K.; Petersen, B. A.; Petersen, J.; Pommes, K.; Poppleton, A.; Poulard, G.; Prasad, S.; Raymond, M.; Rembser, C.; Rodrigues, L.; Roe, S.; Salzburger, A.; Savu, D. O.; Scanlon, T.; Schlenker, S.; Schmieden, K.; Serfon, C.; Sfyrla, A.; Solans, C. A.; Spigo, G.; Stewart, G. A.; Teischinger, F. A.; Ten Kate, H.; Tremblet, L.; Tricoli, A.; Tsarouchas, C.; Unal, G.; Van der Ster, D.; Van Eldik, N.; Van Woerden, M. C.; Vandelli, W.; Vigne, R.; Voss, R.; Vuillermet, R.; Wells, P. S.; Wengler, T.; Wenig, S.; Werner, P.; Wilkens, H. G.; Wotschack, J.; Zwalinski, L.] CERN, Geneva, Switzerland. [Alison, J.; Anderson, K. J.; Boveia, A.; Canelli, F.; Cheng, Y.; Choudalakis, G.; Fiascaris, M.; Gardner, R. W.; Plante, I. Jen-La; 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 60637 USA. [Cottin, G.; Diaz, M. A.] Pontificia Univ Catolica Chile, Dept Fis, Santiago, Chile. [Brooks, W. K.; Kuleshov, S.; Pezoa, R.; Prokoshin, F.; White, R.] Univ Tecn Federico Santa Maria, Dept Fis, Valparaiso, Chile. [Bai, Y.; Fang, Y.; Jin, S.; Lu, F.; Ouyang, Q.; Shan, L. Y.; Wang, J.; Xu, D.; Yao, L.; Zhuang, X.] Chinese Acad Sci, Inst High Energy Phys, Beijing, Peoples R China. [Gao, J.; Han, L.; Jiang, Y.; Li, B.; Liu, J. B.; Liu, K.; Liu, M.; Liu, Y.; Peng, H.; 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.; Ma, L. L.; Zhang, X.; Zhu, C. G.] Shandong Univ, Sch Phys, Jinan, Shandong, Peoples R China. [Yang, H.] Shanghai Jiao Tong Univ, Dept Phys, Shanghai 200030, Peoples R China. [Boumediene, D.; Busato, E.; Calvet, D.; Calvet, S.; Donini, J.; Dubreuil, E.; Ghodbane, N.; Gris, P.; Guicheney, C.; Liao, H.; Pallin, D.; Hernandez, D. Paredes; Podlyski, F.; Santoni, C.; Theveneaux-Pelzer, T.; Valery, L.; Vazeille, F.] Clermont Univ, Phys Corpusculaire Lab, Clermont Ferrand, France. [Boumediene, D.; Busato, E.; Calvet, D.; Calvet, S.; Donini, J.; Dubreuil, E.; Ghodbane, N.; Gris, P.; Guicheney, C.; Liao, H.; Pallin, D.; Hernandez, D. Paredes; Podlyski, F.; Santoni, C.; Theveneaux-Pelzer, T.; Valery, L.; Vazeille, F.] Univ Clermont Ferrand, Clermont Ferrand, France. [Boumediene, D.; Busato, E.; Calvet, D.; Calvet, S.; Donini, J.; Dubreuil, E.; Ghodbane, N.; Gris, P.; Guicheney, C.; Liao, H.; Pallin, D.; Hernandez, D. Paredes; Podlyski, F.; Santoni, C.; Theveneaux-Pelzer, T.; Valery, L.; Vazeille, F.] CNRS IN2P3, Clermont Ferrand, France. [Altheimer, A.; Andeen, T.; Angerami, A.; Bain, T.; Brooijmans, G.; Chen, Y.; Cole, B.; Dodd, J.; Guo, J.; Hu, D.; Hughes, E. W.; Nikiforou, N.; Parsons, J. A.; Penson, A.; Perepelitsa, D. V.; Reale, V. Perez; Scherzer, M. I.; Thompson, E. N.; Tian, F.; Tuts, P. M.; Urbaniec, D.; Williams, E.; Willis, W.; Wulf, E.; Zhou, L.; Zivkovic, L.] Columbia Univ, Nevis Lab, Irvington, NY USA. [Alonso, A.; Boelaert, N.; Dam, M.; Hoffmann, M. Dano; Galster, G.; Gregersen, K.; Hansen, J. R.; Hansen, J. B.; Hansen, J. D.; Hansen, P. H.; Heisterkamp, S.; Jakobsen, S.; Joergensen, M. D.; Kadlecik, P.; Klinkby, E. B.; Loevschall-Jensen, A. E.; Mackeprang, R.; Mehlhase, S.; Monk, J.; Petersen, T. C.; Pingel, A.; Simonyan, M.; Thomsen, L. A.; Wiglesworth, C.; Xella, S.] Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark. [Capua, M.; Crosetti, G.; La Rotonda, L.; Lavorini, V.; Mastroberardino, A.; Policicchio, A.; Salvatore, D.; Schioppa, M.; Susinno, G.; Tassi, E.] INFN Grp Collegato Cosenza, Cosenza, Italy. [Capua, M.; Crosetti, G.; La Rotonda, L.; Lavorini, V.; Mastroberardino, A.; Policicchio, A.; Salvatore, D.; Schioppa, M.; Susinno, G.; Tassi, E.] Univ Calabria, Dipartimento Fis, I-87036 Arcavacata Di Rende, Italy. [Adamczyk, L.; Bold, T.; Dabrowski, W.; Dwuznik, M.; Grabowska-Bold, I.; Kisielewska, D.; Koperny, S.; Kowalski, T. Z.; Mindur, B.; Przybycien, M.] AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, Krakow, Poland. [Richter-Was, E.] Jagiellonian Univ, Marian Smoluchowski Inst Phys, Krakow, Poland. [Banas, E.; Blocki, J.; de Renstrom, P. A. Bruckman; Derendarz, D.; Gornicki, E.; Hajduk, Z.; Iwanski, W.; Kaczmarska, A.; Korcyl, K.; Malecki, P.; Olszewski, A.; Olszowska, J.; Stanecka, E.; Staszewski, R.; Trzebinski, M.; Trzupek, A.; Wolter, M. W.; Wosiek, B. K.; Wozniak, K. W.; Zabinski, B.; Zemla, A.] Polish Acad Sci, Henryk Niewodniczanski Inst Nucl Phys, Krakow, Poland. [Cao, T.; 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 USA. [Ahsan, M.; Izen, J. M.; Lou, X.; Namasivayam, H.; Reeves, K.; Wong, W. C.] Univ Texas Dallas, Dept Phys, Richardson, TX 75083 USA. [Argyropoulos, S.; Bloch, I.; Borroni, S.; Dassoulas, J. A.; Dietrich, J.; Ferrara, V.; Filipuzzi, M.; Friedrich, C.; Glazov, A.; Fajardo, L. S. Gomez; Da Costa, J. Goncalves Pinto Firmino; Grahn, K-J.; Gregor, I. M.; Grohsjean, A.; Hiller, K. H.; Huettmann, A.; Belenguer, M. Jimenez; Katzy, J.; Kuhl, T.; Lange, C.; Lisovyi, M.; Lobodzinska, E.; Ludwig, D.; Maettig, S.; Medinnis, M.; Moenig, K.; Naumann, T.; Cavalcanti, T. Perez; Peters, R. F. Y.; Piec, S. M.; Radescu, V.; Rubinskiy, I.; Sedov, G.; Shushkevich, S.; South, D.; Stanescu-Bellu, M.; Stanitzki, M. M.; Starovoitov, P.; Styles, N. A.; Tackmann, K.; Vankov, P.; Viti, M.; Wasicki, C.; Wildt, M. A.; Yatsenko, E.; Yildirim, E.; Zhu, H.] DESY, Hamburg, Germany. [Argyropoulos, S.; Bloch, I.; Borroni, S.; Dassoulas, J. A.; Dietrich, J.; Ferrara, V.; Filipuzzi, M.; Friedrich, C.; Glazov, A.; Fajardo, L. S. Gomez; Da Costa, J. Goncalves Pinto Firmino; Grahn, K-J.; Gregor, I. M.; Grohsjean, A.; Hiller, K. H.; Huettmann, A.; Belenguer, M. Jimenez; Katzy, J.; Kuhl, T.; Lange, C.; Lisovyi, M.; Lobodzinska, E.; Ludwig, D.; Maettig, S.; Medinnis, M.; Moenig, K.; Naumann, T.; Cavalcanti, T. Perez; Peters, R. F. Y.; Piec, S. M.; Radescu, V.; Rubinskiy, I.; Sedov, G.; Shushkevich, S.; South, D.; Stanescu-Bellu, M.; Stanitzki, M. M.; Starovoitov, P.; Styles, N. A.; Tackmann, K.; Vankov, P.; Viti, M.; Wasicki, C.; Wildt, M. A.; Yatsenko, E.; Yildirim, E.; Zhu, H.] DESY, Zeuthen, Germany. [Bunse, M.; Burmeister, I.; Esch, H.; Goessling, C.; Jentzsch, J.; Jung, C. A.; Klingenberg, R.; Reisinger, I.; Wittig, T.] Tech Univ Dortmund, Inst Expt Phys 4, Dortmund, Germany. [Anger, P.; Czodrowski, P.; Friedrich, F.; Grohs, J. P.; Gumpert, C.; Kobel, M.; Leonhardt, K.; Mader, W. F.; Morgenstern, M.; Prudent, X.; Rudolph, C.; Schnoor, U.; Seifert, F.; Socher, F.; Steinbach, P.; Straessner, A.; Vest, A.; Wahrmund, S.] Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. [Arce, A. T. H.; Benjamin, D. P.; Bocci, A.; Cerio, B.; Finelli, K. D.; Kajomovitz, E.; Ko, B. R.; Kotwal, A.; Kruse, M. C.; Li, S.; Liu, M.; Oh, S. H.; Pollard, C. S.; Wang, C.] Duke Univ, Dept Phys, Durham, NC 27706 USA. [Bhimji, W.; Bristow, T. M.; Buckley, A. G.; Clark, P. J.; Debenedetti, C.; Edwards, N. C.; Walls, F. M. Garay; Harrington, R. D.; Korn, A.; Martin, V. J.; O'Brien, B. J.; Pino, S. A. Olivares; Proissl, M.; Schaelicke, A.; Selbach, K. E.; Smart, B. H.; Washbrook, A.; Wynne, B. M.] Univ Edinburgh, SUPA Sch Phys & Astron, Edinburgh, Midlothian, Scotland. [Annovi, A.; Antonelli, M.; Bilokon, H.; Chiarella, V.; Curatolo, M.; Di Nardo, R.; Esposito, B.; Fehling-Kaschek, M.; Gatti, C.; Laurelli, P.; Maccarrone, G.; Sansoni, A.; Testa, M.; Vilucchi, E.; Volpi, G.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Aad, G.; Amoroso, S.; Barber, T.; Bernhard, R.; Boehler, M.; Bruneliere, R.; Buehrer, F.; Consorti, V.; Di Simone, A.; Flechl, M.; Giuliani, C.; Herten, G.; Jakobs, K.; Jenni, P.; Koeneke, K.; Kopp, A. K.; Kuehn, S.; Lai, S.; Landgraf, U.; Lohwasser, K.; Ludwig, I.; Madar, R.; Mahboubi, K.; Mohr, W.; Parzefall, U.; Rammensee, M.; Rave, T. C.; Rurikova, Z.; Ruthmann, N.; Schillo, C.; Schmidt, E.; Schumacher, M.; Siegert, F.; Stoerig, K.; Sundermann, J. E.; Temming, K. K.; Thoma, S.; Tsiskaridze, V.; Ungaro, F. C.; Venturi, M.; Von Radziewski, H.; Anh, T. Vu; Warsinsky, M.; Weiser, C.; Werner, M.; Winkelmann, S.; Zimmermann, S.] Univ Freiburg, Fak Math & Phys, D-79106 Freiburg, Germany. [Alexandre, G.; Barone, G.; Bell, P. J.; Bell, W. H.; Noccioli, E. Benhar; De Mendizabal, J. Bilbao; Bucci, F.; Toro, R. Camacho; Clark, A.; Doglioni, C.; Ferrere, D.; Gadomski, S.; Gonzalez-Sevilla, S.; Goulette, M. P.; Gramling, J.; Guescini, F.; Iacobucci, G.; Katre, A.; La Rosa, A.; Latour, B. Martin Dit; Mermod, P.; Herrera, C. Mora; Muenstermann, D.; Nektarijevic, S.; Nikolics, K.; Pasztor, G.; Picazio, A.; Pohl, M.; Rosbach, K.; Vallecorsa, S.; Wu, X.] Univ Geneva, Sect Phys, Geneva, Switzerland. [Barberis, D.; Beccherle, R.; Caso, C.; Darbo, G.; Favareto, A.; Parodi, A. Ferretto; Gagliardi, G.; Gemme, C.; Guido, E.; Morettini, P.; Osculati, B.; Parodi, F.; Passaggio, S.; Rossi, L. P.; Schiavi, C.] Ist Nazl Fis Nucl, Sez Genova, Milan, Italy. [Barberis, D.; Caso, C.; Favareto, A.; Parodi, A. Ferretto; Gagliardi, G.; Guido, E.; Osculati, B.; Parodi, F.; Schiavi, C.] Univ Genoa, Dipartimento Fis, Genoa, Italy. [Tskhadadze, E. G.] Iv Javakhishvili Tbilisi State Univ, E Andronikashvili Inst Phys, Tbilisi, Rep of Georgia. [Djobava, T.; Khubua, J.; Mchedlidze, G.; Mosidze, M.] Tbilisi State Univ, Inst High Energy Phys, Tbilisi, Rep of Georgia. [Dueren, M.; Kreutzfeldt, K.; Stenzel, H.] Univ Giessen, Inst Phys 2, Giessen, Germany. [Allwood-Spiers, S. E.; Bates, R. L.; Britton, D.; Bussey, P.; Buttar, C. M.; Buzatu, A.; Collins-Tooth, C.; D'Auria, S.; Doherty, T.; Doyle, A. T.; Ferrag, S.; Ferrando, J.; De Lima, D. E. Ferreira; Gemmell, A.; Gul, U.; Ortiz, N. G. Gutierrez; Kar, D.; Moraes, A.; O'Shea, V.; Barrera, C. Oropeza; Quilty, D.; Ravenscroft, T.; Robson, A.; Saxon, D. H.; Smith, K. M.; 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.; Graber, L.; Grosse-Knetter, J.; Hamer, M.; Hensel, C.; Kawamura, G.; Keil, M.; Knue, A.; Krieger, N.; Kroeninger, K.; Lemmer, B.; Magradze, E.; Meyer, J.; Morel, J.; Nackenhorst, O.; Pashapour, S.; Peters, R. F. Y.; Quadt, A.; Roe, A.; Schorlemmer, A. L. S.; Serkin, L.; Shabalina, E.; Schroeder, T. Vazquez; Weingarten, J.] Univ Gottingen, Inst Phys 2, Gottingen, Germany. [Albrand, S.; Brown, J.; Buat, Q.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delemontex, T.; Delsart, P. A.; Gabaldon, C.; Genest, M. H.; Hostachy, J-Y.; Laisne, E.; Le, B. T.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Monini, C.; Stark, J.; Trocme, B.] Univ Joseph Fourierand CNRS IN2P3, Lab Phys Subatom & Cosmol, Grenoble, France. [Albrand, S.; Brown, J.; Buat, Q.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delemontex, T.; Delsart, P. A.; Gabaldon, C.; Genest, M. H.; Hostachy, J-Y.; Laisne, E.; Le, B. T.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Monini, C.; Stark, J.; Trocme, B.] Inst Natl Polytechniquede Grenoble, Grenoble, France. [Addy, T. N.; Harvey, A.; McFarlane, K. W.; Shin, T.; Vassilakopoulos, V. I.] Hampton Univ, Dept Phys, Hampton, VA 23668 USA. [Da Costa, J. Barreiro Guimaraes; Belloni, A.; Butler, B.; Catastini, P.; Conti, G.; Franklin, M.; Huth, J.; Jeanty, L.; Mateos, D. Lopez; Mercurio, K. M.; Mills, C.; Morii, M.; Skottowe, H. P.; Spearman, W. R.; Yen, A. L.; Della Porta, G. Zevi] Harvard Univ, Lab Particle Phys & Cosmol, Cambridge, MA 02138 USA. [Anders, G.; Andrei, V.; Davygora, Y.; Dietzsch, T. A.; Dunford, M.; Hanke, P.; Hofmann, J. I.; Khomich, A.; Kluge, E-E.; Laier, H.; Lang, V. S.; Lendermann, V.; Meier, K.; Mueller, F.; Poddar, S.; Scharf, V.; Schultz-Coulon, H-C.; Stamen, R.; Wessels, M.] Heidelberg Univ, Kirchhoff Inst Phys, Heidelberg, Germany. [Anders, G.; Andrei, V.; Davygora, Y.; Dietzsch, T. A.; Dunford, M.; Hanke, P.; Hofmann, J. I.; Khomich, A.; Kluge, E-E.; Laier, H.; Lang, V. S.; Lendermann, V.; Meier, K.; Mueller, F.; Poddar, S.; Scharf, V.; Schoening, A.; Schultz-Coulon, H-C.; Stamen, R.; Wessels, M.] Heidelberg Univ, Inst Phys, Heidelberg, Germany. [Colombo, T.; Kugel, A.; Schroer, N.] Heidelberg Univ, ZITI Inst Tech Informat, Mannheim, Germany. [Nagasaka, Y.] Hiroshima Inst Technol, Fac Appl Informat Sci, Hiroshima, Japan. [Brunet, S.; Evans, H.; Gagnon, P.; Luehring, F.; Ogren, H.; Penwell, J.; Poveda, J.; Price, D.; Whittington, D.; Zieminska, D.] Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. [Franz, S.; Jussel, P.; Kneringer, E.; Lukas, W.; Nagai, K.; Ritsch, E.; Usanova, A.] Leopold Franzens Univ, Inst Astro & Teilchenphys, Innsbruck, Austria. [Cinca, D.; Gandrajula, R. P.; Halladjian, G.; Limper, M.; Mallik, U.; Mandrysch, R.; Morange, N.; Pylypchenko, Y.; Zaidan, R.] Univ Iowa, Iowa City, IA USA. [Chen, C.; Cochran, J.; De Lorenzi, F.; Dudziak, F.; Krumnack, N.; Prell, S.; Ruiz-Martinez, A.; Shrestha, S.; Yamamoto, K.] Iowa State Univ, Dept Phys & Astron, Ames, IA USA. [Ahmadov, F.; Aleksandrov, I. N.; Bardin, D. Y.; Bednyakov, V. A.; Boyko, I. R.; Budagov, I. A.; Chelkov, G. A.; Cheplakov, A.; Chizhov, M. V.; Dedovich, D. V.; Demichev, M.; Glonti, G. L.; Gostkin, M. I.; Grigalashvili, N.; Huseynov, N.; Karpov, S. N.; Kazarinov, M. Y.; Kharchenko, D.; Khramov, E.; Kotov, V. M.; Kruchonak, U.; Krumshteyn, Z. V.; Kukhtin, V.; Ladygin, E.; Minashvili, I. A.; Mineev, M.; Olchevski, A. G.; Peshekhonov, V. D.; Plotnikova, E.; Potrap, I. N.; Pozdnyakov, V.; Rumyantsev, L.; Rusakovich, N. A.; Sadykov, R.; Sapronov, A.; Shiyakova, M.; Sisakyan, A. N.; Topilin, N. D.; Vinogradov, V. B.; Zhemchugov, A.; Zimin, N. I.] Joint Inst Nucl Res Dubna, Dubna, Russia. [Amako, K.; Arai, Y.; Doi, Y.; Ikegami, Y.; Ikeno, M.; Iwasaki, H.; Kanzaki, J.; Kohriki, T.; Kondo, T.; Kono, T.; Makida, Y.; Mitsui, S.; Nagano, K.; Nakamura, K.; Nozaki, M.; Odaka, S.; Sasaki, O.; Sun, X.; Suzuki, Y.; Takubo, Y.; Tanaka, S.; Terada, S.; Tsuno, S.; Unno, Y.; Yamada, M.; Yamamoto, A.; Yasu, Y.] High Energy Accelerator Res Org, KEK, Tsukuba, Ibaraki, Japan. [Inamaru, Y.; King, M.; Kishimoto, T.; Kitamura, T.; Kurashige, H.; Kurumida, R.; Matsushita, T.; Ochi, A.; Shimizu, S.; Takeda, H.; Tani, K.; Watanabe, I.; Yamazaki, Y.; Yuan, L.] Kobe Univ, Grad Sch Sci, Kobe, Hyogo 657, Japan. [Ishino, M.; Sasao, N.; Sumida, T.; Tashiro, T.] Kobe Univ, Fac Sci, Kobe, Hyogo 657, Japan. [Takashima, R.] Kyoto Univ, Kyoto 612, Japan. [Kawagoe, K.; Oda, S.; Otono, H.; Tojo, J.] Kyushu Univ, Dept Phys, Fukuoka 812, Japan. [Alconada Verzini, M. J.; 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. [Alconada Verzini, M. J.; Alonso, F.; Anduaga, X. S.; Dova, M. T.; Monticelli, F.; Tripiana, M. F.] Consejo Nacl Invest Cient & Tecn, La Plata, Buenos Aires, Argentina. [Allison, L. J.; Barton, A. E.; Borissov, G.; Bouhova-Thacker, E. V.; Catmore, J. R.; Chilingarov, A.; Dearnaley, W. J.; Fox, H.; Grimm, K.; Henderson, R. C. W.; Hughes, G.; Jones, R. W. L.; Kartvelishvili, V.; Long, R. E.; Love, P. A.; Maddocks, H. J.; Smizanska, M.; Walder, J.] Univ Lancaster, Dept Phys, Lancaster, England. [Chiodini, G.; Gorini, E.; Grancagnolo, F.; Orlando, N.; Perrino, R.; Primavera, M.; Spagnolo, S.; Ventura, A.] Ist Nazl Fis Nucl, Sez Lecce, Milan, Italy. [Gorini, E.; Orlando, N.; Spagnolo, S.; Ventura, A.] Univ Salento, Dipartimento Matemat & Fis, Lecce, Italy. [Allport, P. P.; Bundock, A. C.; Burdin, S.; D'Onofrio, M.; Dervan, P.; Gwilliam, C. B.; Hayward, H. S.; Jackson, J. N.; Jackson, M.; Jones, T. J.; King, B. T.; Klein, M.; Klein, U.; Kretzschmar, J.; Laycock, P.; Lehan, A.; Mahmoud, S.; Maxfield, S. J.; Mehta, A.; Migas, S.; Price, J.; Schnellbach, Y. J.; Sellers, G.; Vossebeld, J. H.; Waller, P.] Univ Liverpool, Oliver Lodge Lab, Liverpool L69 3BX, Merseyside, England. [Cindro, V.; Deliyergiyev, M.; Filipcic, A.; Gorisek, A.; Kersevan, B. P.; Kramberger, G.; Macek, B.; Mandic, I.; Mikuz, M.; Tykhonov, A.] Jozef Stefan Inst, Dept Phys, Ljubljana, Slovenia. [Cindro, V.; Deliyergiyev, M.; Filipcic, A.; Gorisek, A.; Kersevan, B. P.; Kramberger, G.; Macek, B.; Mandic, I.; Mikuz, M.; Tykhonov, A.] Univ Ljubljana, Ljubljana, Slovenia. [Bona, M.; Carter, A. A.; Cerrito, L.; Eisenhandler, E.; Ellis, K.; Fletcher, G.; Goddard, J. R.; Hickling, R.; Landon, M. P. J.; Lloyd, S. L.; Morris, J. D.; Piccaro, E.; Rizvi, E.; Salamanna, G.; Snidero, G.; Castanheira, M. Teixeira Dias] Queen Mary Univ London, Sch Phys & Astron, London, England. [Alam, M. A.; Berry, T.; Boisvert, V.; Brooks, T.; Cantrill, R.; Cooper-Smith, N. J.; Cowan, G.; Duguid, L.; Edwards, C. A.; George, S.; Gibson, S. M.; Goncalo, R.; Vazquez, J. G. Panduro; Pastore, F.; Rose, M.; Spano, F.; Teixeira-Dias, P.] Royal Holloway Univ London, Dept Phys, Surrey, England. [Baker, S.; Bernat, P.; Bieniek, S. P.; Butterworth, J. M.; Campanelli, M.; Casadei, D.; Chislett, R. T.; Christidi, I. A.; Cooper, B. D.; Davison, A. R.; Dobson, E.; Gutschow, C.; Hesketh, G. G.; Jansen, E.; Konstantinidis, N.; Lambourne, L.; Nash, M.; Nurse, E.; Ochoa, M. I.; Pilkington, A. D.; Prabhu, R.; Sherwood, P.; Simmons, B.; Taylor, C.; Wardrope, D. R.; Waugh, B. M.; Wijeratne, P. A.] UCL, Dept Phys & Astron, London, England. [Bernius, C.; Dhullipudi, R.; Greenwood, Z. D.; Sawyer, L.; Sircar, A.; Subramaniam, R.; Tamsett, M. C.] Louisiana Tech Univ, Ruston, LA 71270 USA. [Beau, T.; Bomben, M.; Bordoni, S.; Calderini, G.; Crescioli, F.; Davignon, O.; De Cecco, S.; Demilly, A.; Derue, F.; Krasny, M. W.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lefebvre, G.; Liu, K.; Malaescu, B.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Rangel-Smith, C.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.] UPMC, Lab Phys Nucl & Hautes Energies, Paris, France. [Beau, T.; Bomben, M.; Bordoni, S.; Calderini, G.; Crescioli, F.; Davignon, O.; De Cecco, S.; Demilly, A.; Derue, F.; Krasny, M. W.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lefebvre, G.; Liu, K.; Malaescu, B.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Rangel-Smith, C.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.] Univ Paris Diderot, Paris, France. [Beau, T.; Bomben, M.; Bordoni, S.; Calderini, G.; Crescioli, F.; Davignon, O.; De Cecco, S.; Demilly, A.; Derue, F.; Krasny, M. W.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lefebvre, G.; Liu, K.; Malaescu, B.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Rangel-Smith, C.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.] CNRS IN2P3, Paris, France. [Akesson, T. P.; Bocchetta, S. S.; Bryngemark, L.; Floderus, A.; Hawkins, A. D.; Hedberg, V.; Jarlskog, G.; Lytken, E.; Meirose, B.; Mjornmark, J. U.; Smirnova, O.; Viazlo, O.; Wielers, M.] Lund Univ, Fys Inst, Lund, Sweden. [Arnal, V.; Barreiro, F.; Cantero, J.; De la Torre, H.; Del Peso, J.; Glasman, C.; Labarga, L.; Merino, J. Llorente; Terron, J.] Univ Autonoma Madrid, Dept Fis Teor C 15, Madrid, Spain. [Arnaez, O.; Blum, W.; Buescher, V.; Caputo, R.; Ellinghaus, F.; Endner, O. C.; Ertel, E.; Fiedler, F.; Goeringer, C.; Handel, C.; Heck, T.; Hohlfeld, M.; Hsu, P. J.; Huelsing, T. A.; Ji, W.; Karnevskiy, M.; Kleinknecht, K.; Koenig, S.; Koepke, L.; Lungwitz, M.; Masetti, L.; Mattmann, J.; Meyer, C.; Moreno, D.; Moritz, S.; Mueller, T.; Neusiedl, A.; Poettgen, R.; Sander, H. G.; Schaefer, U.; Schmitt, C.; Schott, M.; Schroeder, C.; Schuh, N.; Simioni, E.; Tapprogge, S.; Wollstadt, S. J.; Zimmermann, C.] Johannes Gutenberg Univ Mainz, Inst Phys, Mainz, Germany. [Almond, J.; Borri, M.; Brown, G.; Chavda, V.; Cox, B. E.; Da Via, C.; Forti, A.; Howarth, J.; Joshi, K. D.; Klinger, J. A.; Loebinger, F. K.; Masik, J.; Neep, T. J.; Oh, A.; Owen, M.; Pater, J. R.; Robinson, J. E. M.; Tomlinson, L.; Watts, S.; Webb, S.; Woudstra, M. J.; Wyatt, T. R.; Yang, U. K.] Univ Manchester, Sch Phys & Astron, Manchester, Lancs, England. [Alio, L.; Barbero, M.; Bee, C. P.; Bertella, C.; Bousson, N.; Clemens, J. C.; Coadou, Y.; Djama, F.; Etienne, F.; Feligioni, L.; Gao, J.; Hoffmann, D.; Hubaut, F.; Knoops, E. G.; Le Guirriec, E.; Li, B.; Maurer, J.; Monnier, E.; Nagai, Y.; Pralavorio, P.; Rozanov, A.; Serre, T.; Talby, M.; Tannoury, N.; Tiouchichine, E.; Tisserant, S.; Toth, J.; Touchard, F.; Ughetto, M.; Vacavant, L.] Aix Marseille Univ, CPPM, Marseille, France. [Alio, L.; Barbero, M.; Bee, C. P.; Bertella, C.; Bousson, N.; Clemens, J. C.; Coadou, Y.; Djama, F.; Etienne, F.; Feligioni, L.; Gao, J.; Hoffmann, D.; Hubaut, F.; Knoops, E. G.; Le Guirriec, E.; Li, B.; Maurer, J.; Monnier, E.; Nagai, Y.; Pralavorio, P.; Rozanov, A.; Serre, T.; Talby, M.; Tannoury, N.; Tiouchichine, E.; Tisserant, S.; Toth, J.; Touchard, F.; Ughetto, M.; Vacavant, L.] CNRS IN2P3, Marseille, France. [Brau, B.; Colon, G.; Dallapiccola, C.; Meade, A.; Moyse, E. J. W.; Pais, P.; Pueschel, E.; Varol, T.; Ventura, D.; Willocq, S.] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. [Belanger-Champagne, C.; Chapleau, B.; Cheatham, S.; Corriveau, F.; Mantifel, R.; Robertson, S. H.; Schram, M.; Stockton, M. C.; Stoebe, M.; Vachon, B.; Wang, K.; Warburton, A.] McGill Univ, Dept Phys, Montreal, PQ, Canada. [Barberio, E. L.; Diglio, S.; Hamano, K.; Jennens, D.; Kubota, T.; Limosani, A.; Hanninger, G. Nunes; Shao, Q. T.; Tan, K. G.; Taylor, G. N.; Thong, W. M.; Volpi, M.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Armbruster, A. J.; Chapman, J. W.; Chelstowska, M. A.; Cirilli, M.; Dai, T.; Diehl, E. B.; Dubbert, J.; Feng, H.; Ferretti, C.; Goldfarb, S.; Harper, D.; Levin, D.; Li, X.; Liu, L.; Long, J. D.; Mc Kee, S. P.; McCarn, A.; Neal, H. A.; Panikashvili, N.; Qian, J.; Scheirich, D.; Searcy, J.; Thun, R. P.; Walch, S.; Wilson, A.; Wu, Y.; Xu, L.; Zhang, D.; Zhou, B.; Zhu, J.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Abolins, M.; Gonzalez, B. Alvarez; Arabidze, G.; Brock, R.; Bromberg, C.; Caughron, S.; Ge, P.; Hauser, R.; Hayden, D.; Huston, J.; Koll, J.; Linnemann, J. T.; Martin, B.; Pope, B. G.; Schoenrock, B. D.; Schwienhorst, R.; Stelzer, H. 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[Aloisio, A.; Alviggi, M. G.; Canale, V.; Chiefari, G.; della Volpe, D.; Di Donato, C.; Giordano, R.; Merola, L.; Patricelli, S.; Rossi, E.; Sanchez, A.; Zurzolo, G.] Univ Naples Federico II, Dipartimento Sci Fis, Naples, Italy. [Gorelov, I.; Hoeferkamp, M. R.; Seidel, S. C.; Toms, K.; Wang, R.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Besjes, G. J.; Caron, S.; Dao, V.; De Groot, N.; Filthaut, F.; Klok, P. F.; Konig, A. C.; 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.; Castelli, A.; Colijn, A. P.; De Jong, P.; De Nooij, L.; Deluca, C.; Deviveiros, P. O.; Dhaliwal, S.; Ferrari, P.; Gadatsch, S.; Geerts, D. A. A.; Hartjes, F.; Hessey, N. P.; Hod, N.; Igonkina, O.; Kluit, P.; Koffeman, E.; Lee, H.; Lenz, T.; Linde, F.; Mahlstedt, J.; Mechnich, J.; Mussche, I.; Oussoren, K. 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M.; Boudreau, J.; Escobar, C.; Kittelmann, T.; Mueller, J.; Prieur, D.; Sapp, K.; Savinov, V.; Yoosoofmiya, R.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Aguilar-Saavedra, J. A.; Amor Dos Santos, S. P.; Amorim, A.; Anjos, N.; Carvalho, J.; Castro, N. F.; Muino, P. Conde; Wemans, A. do Valle; Fiolhais, M. C. N.; Galhardo, B.; Gomes, A.; Jorge, P. M.; Lopes, L.; Miguens, J. Machado; Maio, A.; Maneira, J.; Marques, C. N.; Oliveira, M.; Onofre, A.; Palma, A.; Pina, J.; Pinto, B.; Santos, H.; Saraiva, J. G.; Silva, J.; Tavares Delgado, A.; 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, J.; Hejbal, J.; Jakoubek, T.; Kepka, O.; Kupco, A.; Kus, V.; Lokajicek, M.; Lysak, R.; Marcisovsky, M.; Mikestikova, M.; Myska, M.; Nemecek, S.; Dos Santos, D. 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[Anulli, F.; Artoni, G.; Bagiacchi, P.; Bagnaia, P.; Bini, C.; Caloi, R.; Ciapetti, G.; D'Orazio, A.; De Pedis, D.; De Salvo, A.; De Zorzi, G.; Dionisi, C.; Falciano, S.; Gabrielli, A.; Gauzzi, P.; Gentile, S.; Giagu, S.; Ippolito, V.; Kuna, M.; Lacava, F.; Lo Sterzo, F.; Luci, C.; Luminari, L.; Marzano, F.; Mirabelli, G.; Nisati, A.; Pasqualucci, E.; Petrolo, E.; Pontecorvo, L.; Rescigno, M.; Rosati, S.; Tehrani, F. Safai; Sidoti, A.; Camillocci, E. Solfaroli; Vari, R.; Veneziano, S.; Zanello, L.] Ist Nazl Fis Nucl, Sez Roma 1, Milan, Italy. [Artoni, G.; Bagiacchi, P.; Bagnaia, P.; Bini, C.; Caloi, R.; Ciapetti, G.; D'Orazio, A.; De Zorzi, G.; Dionisi, C.; Gabrielli, A.; Gauzzi, P.; Gentile, S.; Giagu, S.; Ippolito, V.; Kuna, M.; Lacava, F.; Lo Sterzo, F.; Luci, C.; Messina, A.; Camillocci, E. Solfaroli; Zanello, L.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Aielli, G.; Camarri, P.; Cardarelli, R.; Cattani, G.; Di Ciaccio, A.; Grossi, G. C.; Liberti, B.; Marchese, F.; Mazzaferro, L.; Salamon, A.; Santonico, R.] Ist Nazl Fis Nucl, Sez Roma Tor Vergata, Milan, Italy. [Aielli, G.; Camarri, P.; Cattani, G.; Di Ciaccio, A.; Grossi, G. C.; Marchese, F.; Mazzaferro, L.; Santonico, R.] Univ Roma Tor Vergata, Dipartimento Fis, I-00173 Rome, Italy. [Bacci, C.; Baroncelli, A.; Biglietti, M.; Bortolotto, V.; Branchini, P.; Ceradini, F.; Di Micco, B.; Farilla, A.; Graziani, E.; Iodice, M.; Orestano, D.; Passeri, A.; Pastore, F.; Petrucci, F.; Stanescu, C.; Trovatelli, M.] Ist Nazl Fis Nucl, Sez Roma Tre, Milan, Italy. [Bacci, C.; Bortolotto, V.; Ceradini, F.; Di Micco, B.; Orestano, D.; Pastore, F.; Petrucci, F.; Trovatelli, M.] Univ Roma Tre, Dipartimento Matemat & Fis, Rome, Italy. [Benchekroun, D.; Chafaq, A.; Gouighri, M.; Hoummada, A.; Lablak, S.] Univ Hassan 2, Reseau Univ Phys Hautes Energies, Fac Sci Ain Chock, Casablanca, Morocco. [Ghazlane, H.] Ctr Natl Energie Sci Tech Nucl, Rabat, Morocco. [El Kacimi, M.; Goujdami, D.] Univ Cadi Ayyad, LPHEA Marrakech, Fac Sci Semlalia, Marrakech, Morocco. [Boutouil, S.; Derkaoui, J. E.; Ouchrif, M.; Tayalati, Y.] Univ Mohamed Premier, Fac Sci, Oujda, Morocco. [Boutouil, S.; Derkaoui, 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.; Balli, F.; Bauer, F.; Besson, N.; Blanchard, J-B.; Bolnet, N. M.; Boonekamp, M.; Chevalier, L.; Deliot, F.; Ernwein, J.; Etienvre, A. I.; Formica, A.; Giraud, P. F.; Grabas, H. M. X.; 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.; Meric, N.; Meyer, J-P.; Mijovic, L.; Hong, V. Nguyen Thi; Nicolaidou, R.; Ouraou, A.; Protopapadaki, E.; Resende, B.; Royon, C. 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R.; Tua, A.] Univ Sheffield, Dept Phys & Astron, Sheffield, S Yorkshire, England. [Hasegawa, Y.; Takeshita, T.] Shinshu Univ, Dept Phys, Nagano, Japan. [Atlay, N. B.; Buchholz, P.; Czirr, H.; Fleck, I.; Gaur, B.; Grybel, K.; Ibragimov, I.; Ikematsu, K.; Rammes, M.; Rosenthal, O.; Sipica, V.; Walkowiak, W.; Ziolkowski, M.] Univ Siegen, Fachbereich Phys, D-57068 Siegen, Germany. [Dawe, E.; Godfrey, J.; Kvita, J.; O'Neil, D. C.; Petteni, M.; Stelzer, B.; Tanasijczuk, A. J.; Torres, H.; Trottier-McDonald, M.; Van Nieuwkoop, J.; Vetterli, M. C.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Aracena, I.; Mayes, J. Backus; Barklow, T.; Bartoldus, R.; Bawa, H. S.; Black, J. E.; Cogan, J. G.; Eifert, T.; Fulsom, B. G.; Gao, Y. S.; Garelli, N.; Grenier, P.; Hansson, P.; Kagan, M.; Kocian, M.; Koi, T.; Lowe, A. J.; Malone, C.; Mount, R.; Nelson, T. K.; Piacquadio, G.; Salnikov, A.; Schwartzman, A.; Silverstein, D.; Strauss, E.; Su, D.; Swiatlowski, M.; Wittgen, M.; Young, C.] SLAC Natl Accelerator Lab, Stanford, CA USA. [Astalos, R.; Batkova, L.; Blazek, T.; Federic, P.; Stavina, P.; Sykora, I.; Tokar, S.; Zenis, T.] Comenius Univ, Fac Math Phys & Informat, Bratislava, Slovakia. [Antos, J.; Bruncko, D.; Kladiva, E.; Seman, M.; Strizenec, P.] Slovak Acad Sci, Inst Expt Phys, Dept Subnucl Phys, Kosice 04353, Slovakia. [Hamilton, A.] Univ Cape Town, Dept Phys, ZA-7925 Cape Town, South Africa. [Aurousseau, M.; Castaneda-Miranda, E.; Yacoob, S.] Univ Johannesburg, Dept Phys, Johannesburg, South Africa. [Carrillo-Montoya, G. D.; Huang, Y.; Garcia, B. R. Mellado; Quayle, W. B.; Ruan, X.; Vickey, T.; Boeriu, O. E. Vickey] Univ Johannesburg, Sch Phys, Johannesburg, South Africa. [Abulaiti, Y.; Asman, B.; Bendtz, K.; Bessidskaia, O.; Bohm, C.; Clement, C.; Eriksson, D.; Gellerstedt, K.; Hellman, S.; Holmgren, S. O.; Johansson, K. E.; Jon-And, K.; Khandanyan, H.; Kim, H.; Klimek, P.; Lundberg, J.; Lundberg, O.; Milstead, D. A.; Moa, T.; Molander, S.; Petridis, A.; Plucinski, P.; Silverstein, S. B.; Sjolin, J.; Strandberg, S.; Tylmad, M.; Yang, Z.] Stockholm Univ, Dept Phys, Stockholm, Sweden. [Abulaiti, Y.; Asman, B.; Bendtz, K.; Bessidskaia, O.; Clement, C.; Gellerstedt, K.; Hellman, S.; Jon-And, K.; Khandanyan, H.; Kim, H.; Klimek, P.; Lundberg, J.; Lundberg, O.; Milstead, D. A.; Moa, T.; Molander, S.; Petridis, A.; Plucinski, P.; Sjolin, J.; Strandberg, S.; Tylmad, M.; Yang, Z.] Oskar Klein Ctr, Stockholm, Sweden. [Jovicevic, J.; Kuwertz, E. S.; Lund-Jensen, B.; Morley, A. K.; Strandberg, J.] Royal Inst Technol, Dept Phys, S-10044 Stockholm, Sweden. [Ahmad, A.; Arfaoui, S.; Chen, K.; DeWilde, B.; Engelmann, R.; Goodson, J. J.; Grassi, V.; Gray, J. A.; Hobbs, J.; Jia, J.; Li, H.; Lindquist, B. E.; Mastrandrea, P.; McCarthy, R. L.; Mohapatra, S.; Puldon, D.; Rijssenbeek, M.; Schamberger, R. D.; Stupak, J.; Tsybychev, D.; Zaman, A.] SUNY Stony Brook, Dept Phys, Stony Brook, NY 11794 USA. [Ahmad, A.; Arfaoui, S.; Chen, K.; DeWilde, B.; Engelmann, R.; Goodson, J. J.; Grassi, V.; Gray, J. A.; Hobbs, J.; Jia, J.; Li, H.; Lindquist, B. E.; Mastrandrea, P.; McCarthy, R. L.; Mohapatra, S.; Puldon, D.; Rijssenbeek, M.; Schamberger, R. D.; Stupak, J.; Tsybychev, D.; Zaman, A.] SUNY Stony Brook, Dept Astron & Chem, Stony Brook, NY 11794 USA. [Bartsch, V.; De Santo, A.; Grout, Z. J.; Martin-Haugh, S.; Potter, C. J.; Rose, A.; Salvatore, F.; Castillo, I. Santoyo; Sutton, M. R.; Vivarelli, I.] Univ Sussex, Dept Phys & Astron, Brighton, E Sussex, England. [Bangert, A.; Black, C. W.; Cuthbert, C.; Jeng, G-Y.; Patel, N. D.; Saavedra, A. F.; Scarcella, M.; Varvell, K. E.; Watson, I. J.; Waugh, A. T.; Yabsley, B.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Chu, M. L.; Hou, S.; Jamin, D. O.; Lee, C. A.; Lee, S. C.; Lin, S. C.; Liu, B.; Liu, D.; Mazini, R.; Ren, Z. L.; Soh, D. A.; Teng, P. K.; Wang, J.; Wang, S. M.; Weng, Z.; Zhang, L.] Acad Sinica, Inst Phys, Taipei, Taiwan. [Di Mattia, A.; Kopeliansky, R.; Musto, E.; Rozen, Y.; Tarem, S.] Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel. [Abramowicz, H.; Alexander, G.; Amram, N.; Bella, G.; Benary, O.; Benhammou, Y.; Etzion, E.; Gershon, A.; Gueta, O.; Guttman, N.; Munwes, Y.; Oren, Y.; Sadeh, I.; Silver, Y.; Soffer, A.; Taiblum, N.] Tel Aviv Univ, Raymond & Beverly Sackler Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Bachas, K.; Gkialas, I.; Iliadis, D.; Kordas, K.; Kouskoura, V.; Nomidis, I.; Papageorgiou, K.; Petridou, C.; Sampsonidis, D.] Aristotle Univ Thessaloniki, Dept Phys, GR-54006 Thessaloniki, Greece. [Akimoto, G.; Asai, S.; Azuma, Y.; Dohmae, T.; Enari, Y.; Hanawa, K.; Kanaya, N.; Kataoka, Y.; Kawamoto, T.; Kazama, S.; Kessoku, K.; Kobayashi, T.; Komori, Y.; Mashimo, T.; Masubuchi, T.; Matsunaga, H.; Nakamura, T.; Ninomiya, Y.; Okuyama, T.; Sakamoto, H.; Sasaki, Y.; Tanaka, J.; Terashi, K.; Ueda, I.; Yamaguchi, H.; Yamaguchi, Y.; Yamamoto, S.; Yamamura, T.; Yamanaka, T.; Yoshihara, K.] Univ Tokyo, Int Ctr Elementary Particle Phys, Tokyo, Japan. [Akimoto, G.; Asai, S.; Azuma, Y.; Dohmae, T.; Enari, Y.; Hanawa, K.; Kanaya, N.; Kataoka, Y.; Kawamoto, T.; Kazama, S.; Kessoku, K.; Kobayashi, T.; Komori, Y.; Mashimo, T.; Masubuchi, T.; Matsunaga, H.; Nakamura, T.; Ninomiya, Y.; Okuyama, T.; Sakamoto, H.; Sasaki, Y.; Tanaka, J.; Terashi, K.; Ueda, I.; Yamaguchi, H.; Yamaguchi, Y.; Yamamoto, S.; Yamamura, T.; Yamanaka, T.; Yoshihara, K.] Univ Tokyo, Dept Phys, Tokyo 113, Japan. [Bratzler, U.; Fukunaga, C.] Tokyo Metropolitan Univ, Grad Sch Sci & Technol, Tokyo 158, Japan. [Ishitsuka, M.; Jinnouchi, O.; Kanno, T.; Kuze, M.; Nagai, R.; Nobe, T.] Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. [AbouZeid, O. S.; Bailey, D. C.; Brelier, B.; Farooque, T.; Fatholahzadeh, B.; Ilic, N.; Keung, J.; Krieger, P.; Mc Goldrick, G.; Orr, R. S.; Polifka, R.; Rudolph, M. S.; Savard, P.; Schramm, S.; Sinervo, P.; Spreitzer, T.; Taenzer, J.; Teuscher, R. J.; Thompson, P. D.; Trischuk, W.; Venturi, N.] Univ Toronto, Dept Phys, Toronto, ON, Canada. [Canepa, A.; Chekulaev, S. V.; Fortin, D.; Koutsman, A.; Losty, M. J.; Oram, C. J.; Codina, E. Perez; Schouten, D.; Seuster, R.; Stelzer-Chilton, O.; Tafirout, R.; Trigger, I. M.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Garcia, J. A. Benitez; Bustos, A. C. Florez; Palacino, G.; Taylor, W.] York Univ, Dept Phys & Astron, Toronto, ON M3J 2R7, Canada. [Hara, K.; Hayashi, T.; Kim, S. H.; Kiuchi, K.; Kurata, M.; Ukegawa, F.] Univ Tsukuba, Fac Pure & Appl Sci, Tsukuba, Ibaraki, Japan. [Beauchemin, P. H.; Hamilton, S.; Meoni, E.; Napier, A.; Rolli, S.; Sliwa, K.; Wetter, J.] Tufts Univ, Dept Phys & Astron, Medford, MA 02155 USA. [Losada, M.; Navas, L. Mendoza; Navarro, G.; Sandoval, C.] Univ AntonioNarino, Ctr Invest, Bogota, Colombia. [Corso-Radu, A.; Farrell, S.; Gerbaudo, D.; Eschrich, I. Gough; Lankford, A. J.; Magnoni, L.; Mete, A. S.; Nelson, A.; Rao, K.; Relich, M.; Scannicchio, D. A.; Schernau, M.; Taffard, A.; Toggerson, B.; Unel, G.; Whiteson, D.; Zhou, N.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA USA. [Acharya, B. S.; Alhroob, M.; Brazzale, S. F.; Cobal, M.; De Sanctis, U.; Giordani, M. P.; Pinamonti, M.; Shaw, K.; Soualah, R.] INFN Grp Coll Udine, Udine, Italy. [Acharya, B. S.] Abdus Salaam Int Ctr Theoret Phys, Trieste, Italy. [Alhroob, M.; Brazzale, S. F.; Cobal, M.; De Sanctis, U.; Giordani, M. P.; Pinamonti, M.; Shaw, K.; Soualah, R.] Univ Udine, Dipartimento Chim Fis & Ambiente, I-33100 Udine, Italy. [Atkinson, M.; Basye, A.; Benekos, N.; Cavaliere, V.; Chang, P.; Coggeshall, J.; Errede, D.; Errede, S.; Lie, K.; Liss, T. M.; Neubauer, M. S.; Vichou, I.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Brenner, R.; Buszello, C. P.; Coniavitis, E.; Ekelof, T.; Ellert, M.; Ferrari, A.; Isaksson, C.; Madsen, A.; Pelikan, D.] Uppsala Univ, Dept Phys & Astron, Uppsala, Sweden. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; De la Hoz, S. Gonzalez; Jimenez, Y. Hernandez; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Llacer, M. Moreno; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] Univ Valenciaand CSIC, Inst Fis Corpuscular IFIC, Valencia, Spain. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; De la Hoz, S. Gonzalez; Jimenez, Y. Hernandez; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Llacer, M. Moreno; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] Univ Valenciaand CSIC, Dept Fis Atom Mol & Nucl, Valencia, Spain. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; De la Hoz, S. Gonzalez; Jimenez, Y. Hernandez; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Llacer, M. Moreno; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] Univ Valenciaand CSIC, Dept Ingn Elect, Valencia, Spain. [Urban, S. Cabrera; Gimenez, V. Castillo; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Navarro, J. E. Garcia; De la Hoz, S. Gonzalez; Jimenez, Y. Hernandez; Higon-Rodriguez, E.; Quiles, A. Irles; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Moya, M. Minano; Mitsou, V. A.; Moles-Valls, R.; Llacer, M. Moreno; Garcia, E. Oliver; Lopez, S. Pedraza; Garcia-Estan, M. T. Perez; Adam, E. Romero; Ros, E.; Salt, J.; Sanchez, J.; Martinez, V. Sanchez; Soldevila, U.; Pastor, E. Torro; Valero, A.; Gallego, E. Valladolid; Ferrer, J. A. Valls; Perez, M. Villaplana; Vos, M.] Univ Valenciaand CSIC, Inst Microelectronicade Barcelona IMB CNM, Valencia, Spain. [Fedorko, W.; Gay, C.; Gecse, Z.; King, S. B.; Lister, A.; 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.; Bernlochner, F. U.; Courneyea, L.; David, C.; Fincke-Keeler, M.; Keeler, R.; Kowalewski, R.; Lefebvre, M.; Lessard, J-R.; Marino, C. P.; Martyniuk, A. C.; McPherson, R. A.; Ouellette, E. A.; Pearce, J.; Sobie, R.] Univ Victoria, Dept Phys & Astron, Victoria, BC, Canada. [Farrington, S. M.; Harrison, P. F.; Janus, M.; Jeske, C.; Jones, G.; Martin, T. A.; Pianori, E.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Iizawa, T.; Kimura, N.; Mitani, T.; Sakurai, Y.; Yorita, K.] Waseda Univ, Tokyo, Japan. [Alon, R.; Barak, L.; Bressler, S.; Citron, Z. H.; Duchovni, E.; Gabizon, O.; Gross, E.; Groth-Jensen, J.; Lellouch, D.; Levinson, L. J.; Mikenberg, G.; Milov, A.; Milstein, D.; Roth, I.; Silbert, O.; Smakhtin, V.; Vitells, O.] Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. [Banerjee, S.; Chen, X.; Dos Anjos, A.; Castillo, L. R. Flores; Hard, A. S.; Jared, R. C.; Ji, H.; Ju, X.; Kashif, L.; Kruse, A.; Ming, Y.; Pan, Y. B.; Morales, M. I. Pedraza; Wang, H.; Wiedenmann, W.; Wu, S. L.; Yang, H.; Zobernig, G.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Fleischmann, P.; Redelbach, A.; Schreyer, M.; Siragusa, G.; Stroehmer, R.; Tam, J. Y. C.; Trefzger, T.; Weber, S. W.] Univ Wurzburg, Fak Phys & Astron, D-97070 Wurzburg, Germany. [Barisonzi, M.; Becker, K.; Beermann, T. A.; Boek, J.; Boek, T. T.; Braun, H. M.; Cornelissen, T.; Duda, D.; Ernis, G.; Fischer, J.; Fleischmann, S.; Flick, T.; Gorfine, G.; Hamacher, K.; Harenberg, T.; Hirschbuehl, D.; Kalinin, S.; Kersten, S.; Khoroshilov, A.; Kohlmann, S.; Lenzen, G.; Maettig, P.; Mechtel, M.; Neumann, M.; Pataraia, S.; Sandhoff, M.; Sartisohn, G.; Sturm, P.; Wagner, W.; Wicke, D.; Zeitnitz, C.] Berg Univ Wuppertal, Fachbereich Phys C, Wuppertal, Germany. [Adelman, J.; Baker, O. K.; Bedikian, S.; Almenar, C. Cuenca; Cummings, J.; Czyczula, Z.; Demers, S.; Erdmann, J.; Garberson, F.; Golling, T.; Guest, D.; Henrichs, A.; Ideal, E.; Lagouri, T.; Lee, L.; Leister, A. G.; Loginov, A.; Tipton, P.; Wall, R.; Walsh, B.; Wang, X.] Yale Univ, Dept Phys, New Haven, CT USA. [Hakobyan, H.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Rahal, G.] IN2P3, Ctr Calcul, Villeurbanne, France. [Acharya, B. S.; Gao, Y. S.; Lowe, A. J.] Kings Coll London, Dept Phys, London, England. [Amorim, A.; Maio, A.; Pina, J.] Univ Lisbon, Fac Ciencias, Lisbon, Portugal. [Amorim, A.; Maio, A.; Pina, J.] Univ Lisbon, CFNUL, Lisbon, Portugal. [Azuelos, G.; Gingrich, D. M.; Oakham, F. G.; Savard, P.; Vetterli, M. C.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Bawa, H. S.] Calif State Univ Fresno, Dept Phys, Fresno, CA 93740 USA. [Beloborodova, O. L.; Sobie, R.; Talyshev, A. A.; Tikhonov, Y. A.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Carvalho, J.; Fiolhais, M. C. N.; Oliveira, M.; Wolters, H.] Univ Coimbra, Dept Phys, Coimbra, Portugal. [Conventi, F.; Della Pietra, M.] Univ Napoli Parthenope, Naples, Italy. [Demirkoz, B.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Dhullipudi, R.; Greenwood, Z. D.; Sawyer, L.] Louisiana Tech Univ, Ruston, LA 71270 USA. [Wemans, A. do Valle] Univ Nova Lisboa, Dep Fis, Caparica, Portugal. [Wemans, A. do Valle] Univ Nova Lisboa, CEFITEC, Fac Ciencias & Tecnol, Caparica, Portugal. [Gao, J.] Aix Marseille Univ, CPPM, Marseille, France. [Gkialas, I.; Papageorgiou, K.] Univ Aegean, Dept Financial & Management Engn, Chios, Greece. [Grinstein, S.; Juste Rozas, A.; Martinez, M.] ICREA, Barcelona, Spain. [Hamilton, A.] Univ Cape Town, Dept Phys, ZA-7925 Cape Town, South Africa. [Jenni, P.] CERN, Geneva, Switzerland. [Kono, T.] Ochanomizu Univ, Ochadai Acad Prod, Tokyo 112, Japan. [Konoplich, R.] Manhattan Coll, New York, NY USA. [Li, B.] Acad Sinica, Inst Phys, Taipei, Taiwan. [Liang, Z.; Soh, D. A.; Weng, Z.] Sun Yat Sen Univ, Sch Phys & Engn, Guangzhou, Peoples R China. [Lin, S. C.] Acad Sinica, Inst Phys, Acad Sinica Grid Comp, Taipei, Taiwan. [Mal, P.] Natl Inst Sci Educ & Res, Sch Phys Sci, Bhubaneswar, Orissa, India. [Mountricha, E.; Xu, C.] CEA Saclay, IRFU, DSM, F-91191 Gif Sur Yvette, France. [Myagkov, A. G.; Nikolaenko, V.; Zaitsev, A. M.] Moscow Inst Phys & Technol, Dolgoprudnyi, Russia. [Nessi, M.] Univ Geneva, Sect Phys, Geneva, Switzerland. [Onofre, A.] Univ Minho, Dept Fis, Braga, Portugal. [Onyisi, P. U. 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RI Capua, Marcella/A-8549-2015; Tartarelli, Giuseppe Francesco/A-5629-2016; Fassi, Farida/F-3571-2016; la rotonda, laura/B-4028-2016; Zaitsev, Alexandre/B-8989-2017; Zhou, Ning/D-1123-2017; Yang, Haijun/O-1055-2015; Monzani, Simone/D-6328-2017; Grancagnolo, Francesco/K-2857-2015; Korol, Aleksandr/A-6244-2014; Karyukhin, Andrey/J-3904-2014; Nechaeva, Polina/N-1148-2015; Vykydal, Zdenek/H-6426-2016; Olshevskiy, Alexander/I-1580-2016; Solfaroli Camillocci, Elena/J-1596-2012; Vanadia, Marco/K-5870-2016; Ippolito, Valerio/L-1435-2016; Mora Herrera, Maria Clemencia/L-3893-2016; Maneira, Jose/D-8486-2011; Prokoshin, Fedor/E-2795-2012; KHODINOV, ALEKSANDR/D-6269-2015; Gauzzi, Paolo/D-2615-2009; Solodkov, Alexander/B-8623-2017; Gladilin, Leonid/B-5226-2011; Andreazza, Attilio/E-5642-2011; Carvalho, Joao/M-4060-2013; Mashinistov, Ruslan/M-8356-2015; Buttar, Craig/D-3706-2011; Gonzalez de la Hoz, Santiago/E-2494-2016; Guo, Jun/O-5202-2015; Aguilar Saavedra, Juan Antonio/F-1256-2016; Leyton, Michael/G-2214-2016; Jones, Roger/H-5578-2011; Vranjes Milosavljevic, Marija/F-9847-2016; SULIN, VLADIMIR/N-2793-2015; Petrucci, Fabrizio/G-8348-2012; Negrini, Matteo/C-8906-2014; Lokajicek, Milos/G-7800-2014; Grancagnolo, Sergio/J-3957-2015; spagnolo, stefania/A-6359-2012; Ciubancan, Liviu Mihai/L-2412-2015; Shmeleva, Alevtina/M-6199-2015; Camarri, Paolo/M-7979-2015; Gavrilenko, Igor/M-8260-2015; Tikhomirov, Vladimir/M-6194-2015; Chekulaev, Sergey/O-1145-2015; Gorelov, Igor/J-9010-2015; Ventura, Andrea/A-9544-2015; Livan, Michele/D-7531-2012; De, Kaushik/N-1953-2013; Mitsou, Vasiliki/D-1967-2009; Smirnova, Oxana/A-4401-2013; Ferrando, James/A-9192-2012; White, Ryan/E-2979-2015; Joergensen, Morten/E-6847-2015; Riu, Imma/L-7385-2014; Mir, Lluisa-Maria/G-7212-2015; Della Pietra, Massimo/J-5008-2012; Cavalli-Sforza, Matteo/H-7102-2015; Boyko, Igor/J-3659-2013; Fabbri, Laura/H-3442-2012; Brooks, William/C-8636-2013; Marcisovsky, Michal/H-1533-2014; Villa, Mauro/C-9883-2009; Deliot, Frederic/F-3321-2014; Nozka, Libor/G-5550-2014; Nemecek, Stanislav/G-5931-2014; Kepka, Oldrich/G-6375-2014; Jakoubek, Tomas/G-8644-2014; Kupco, Alexander/G-9713-2014; de Groot, Nicolo/A-2675-2009; Hejbal, Jiri/H-1358-2014; Mikestikova, Marcela/H-1996-2014; Lysak, Roman/H-2995-2014; Kuday, Sinan/C-8528-2014; Snesarev, Andrey/H-5090-2013; Tomasek, Lukas/G-6370-2014; Svatos, Michal/G-8437-2014; Staroba, Pavel/G-8850-2014; Warburton, Andreas/N-8028-2013; Turchikhin, Semen/O-1929-2013; Boldyrev, Alexey/K-6303-2012; Moraes, Arthur/F-6478-2010; Peleganchuk, Sergey/J-6722-2014; Bosman, Martine/J-9917-2014; Kuleshov, Sergey/D-9940-2013; Gabrielli, Alessandro/H-4931-2012; Castro, Nuno/D-5260-2011; Grinstein, Sebastian/N-3988-2014; Wemans, Andre/A-6738-2012; Demirkoz, Bilge/C-8179-2014 OI Giordani, Mario/0000-0002-0792-6039; Capua, Marcella/0000-0002-2443-6525; Di Micco, Biagio/0000-0002-4067-1592; Tartarelli, Giuseppe Francesco/0000-0002-4244-502X; Doria, Alessandra/0000-0002-5381-2649; Fassi, Farida/0000-0002-6423-7213; la rotonda, laura/0000-0002-6780-5829; Osculati, Bianca Maria/0000-0002-7246-060X; Coccaro, Andrea/0000-0003-2368-4559; Zaitsev, Alexandre/0000-0002-4961-8368; Monzani, Simone/0000-0002-0479-2207; Veloso, Filipe/0000-0002-5956-4244; Grancagnolo, Francesco/0000-0002-9367-3380; Korol, Aleksandr/0000-0001-8448-218X; Karyukhin, Andrey/0000-0001-9087-4315; Smestad, Lillian/0000-0002-0244-8736; Vykydal, Zdenek/0000-0003-2329-0672; Olshevskiy, Alexander/0000-0002-8902-1793; Solfaroli Camillocci, Elena/0000-0002-5347-7764; Vanadia, Marco/0000-0003-2684-276X; Ippolito, Valerio/0000-0001-5126-1620; Mora Herrera, Maria Clemencia/0000-0003-3915-3170; Maneira, Jose/0000-0002-3222-2738; Prokoshin, Fedor/0000-0001-6389-5399; KHODINOV, ALEKSANDR/0000-0003-3551-5808; Gauzzi, Paolo/0000-0003-4841-5822; Solodkov, Alexander/0000-0002-2737-8674; Gladilin, Leonid/0000-0001-9422-8636; Andreazza, Attilio/0000-0001-5161-5759; 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; Leyton, Michael/0000-0002-0727-8107; Jones, Roger/0000-0002-6427-3513; Vranjes Milosavljevic, Marija/0000-0003-4477-9733; SULIN, VLADIMIR/0000-0003-3943-2495; Petrucci, Fabrizio/0000-0002-5278-2206; Negrini, Matteo/0000-0003-0101-6963; Grancagnolo, Sergio/0000-0001-8490-8304; spagnolo, stefania/0000-0001-7482-6348; Ciubancan, Liviu Mihai/0000-0003-1837-2841; Camarri, Paolo/0000-0002-5732-5645; Tikhomirov, Vladimir/0000-0002-9634-0581; Gorelov, Igor/0000-0001-5570-0133; Ventura, Andrea/0000-0002-3368-3413; Livan, Michele/0000-0002-5877-0062; De, Kaushik/0000-0002-5647-4489; Mitsou, Vasiliki/0000-0002-1533-8886; Smirnova, Oxana/0000-0003-2517-531X; Ferrando, James/0000-0002-1007-7816; White, Ryan/0000-0003-3589-5900; Joergensen, Morten/0000-0002-6790-9361; Riu, Imma/0000-0002-3742-4582; Mir, Lluisa-Maria/0000-0002-4276-715X; Della Pietra, Massimo/0000-0003-4446-3368; Boyko, Igor/0000-0002-3355-4662; Fabbri, Laura/0000-0002-4002-8353; Brooks, William/0000-0001-6161-3570; Villa, Mauro/0000-0002-9181-8048; Mikestikova, Marcela/0000-0003-1277-2596; Kuday, Sinan/0000-0002-0116-5494; Tomasek, Lukas/0000-0002-5224-1936; Svatos, Michal/0000-0002-7199-3383; Warburton, Andreas/0000-0002-2298-7315; Turchikhin, Semen/0000-0001-6506-3123; Moraes, Arthur/0000-0002-5157-5686; Peleganchuk, Sergey/0000-0003-0907-7592; Bosman, Martine/0000-0002-7290-643X; Kuleshov, Sergey/0000-0002-3065-326X; Gabrielli, Alessandro/0000-0001-5346-7841; Castro, Nuno/0000-0001-8491-4376; Grinstein, Sebastian/0000-0002-6460-8694; Wemans, Andre/0000-0002-9669-9500; 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; NCN, Poland; GRICES, Portugal; FCT, Portugal; MNE/IFA, Romania; MES of Russia, Russian Federation; ROSATOM, Russian Federation; JINR; MSTD, Serbia; MSSR, Slovakia; ARRS, Slovenia; MIZS, Slovenia; DST/NRF, South Africa; MINECO, 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; U.S. DOE, United States of America; NSF, United States of America FX We thank CERN for the very successful operation of the LHC, as well as the support staff from our institutions without whom ATLAS could not be operated efficiently. 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 and NCN, Poland; GRICES and FCT, Portugal; MNE/IFA, Romania; MES of Russia and ROSATOM, Russian Federation; JINR; MSTD, Serbia; MSSR, Slovakia; ARRS and MIZS, Slovenia; DST/NRF, South Africa; MINECO, Spain; SRC and Wallenberg Foundation, Sweden; SER, SNSF, and Cantons of Bern and Geneva, Switzerland; NSC, Taiwan; TAEK, Turkey; STFC, the Royal Society, and Leverhulme Trust, United Kingdom; U.S. DOE and NSF, United States of America. The crucial computing support from all WLCG partners is acknowledged gratefully, in particular from CERN and the ATLAS Tier-1 facilities at TRIUMF (Canada), NDGF (Denmark, Norway, Sweden), CC-IN2P3 (France), KIT/GridKA (Germany), INFN-CNAF (Italy), NL-T1 (Netherlands), PIC (Spain), ASGC (Taiwan), RAL (UK), and BNL (U.S.), and in the Tier-2 facilities worldwide. NR 50 TC 96 Z9 96 U1 9 U2 155 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 JAN 29 PY 2014 VL 112 IS 4 AR 041802 DI 10.1103/PhysRevLett.112.041802 PG 17 WC Physics, Multidisciplinary SC Physics GA AB7CS UT WOS:000331947500004 PM 24580439 ER PT J AU Hamaus, N Wandelt, BD Sutter, PM Lavaux, G Warren, MS AF Hamaus, Nico Wandelt, Benjamin D. Sutter, P. M. Lavaux, Guilhem Warren, Michael S. TI Cosmology with Void-Galaxy Correlations SO PHYSICAL REVIEW LETTERS LA English DT Article ID LARGE-SCALE STRUCTURE; INITIAL CONDITIONS; STACKED VOIDS; COSMIC VOIDS; EVOLUTION; UNIVERSE; DEPENDENCE; DENSITY; MODEL; CLUES AB Galaxy bias, the unknown relationship between the clustering of galaxies and the underlying dark matter density field is a major hurdle for cosmological inference from large-scale structure. While traditional analyses focus on the absolute clustering amplitude of high-density regions mapped out by galaxy surveys, we propose a relative measurement that compares those to the underdense regions, cosmic voids. On the basis of realistic mock catalogs we demonstrate that cross correlating galaxies and voids opens up the possibility to calibrate galaxy bias and to define a static ruler thanks to the observable geometric nature of voids. We illustrate how the clustering of voids is related to mass compensation and show that volume-exclusion significantly reduces the degree of stochasticity in their spatial distribution. Extracting the spherically averaged distribution of galaxies inside voids from their cross correlations reveals a remarkable concordance with the mass-density profile of voids. C1 [Hamaus, Nico; Wandelt, Benjamin D.; Sutter, P. M.; Lavaux, Guilhem] Univ Paris 06, CNRS, Inst Astrophys Paris, UMR 7095, F-75014 Paris, France. [Hamaus, Nico; Wandelt, Benjamin D.; Sutter, P. M.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Sutter, P. M.] Ohio State Univ, Ctr Cosmol & AstroParticle Phys, Columbus, OH 43210 USA. [Lavaux, Guilhem] Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada. [Lavaux, Guilhem] Perimeter Inst Theoret Phys, Waterloo, ON N2L 2Y5, Canada. [Lavaux, Guilhem] Canadian Inst Theoret Astrophys, Toronto, ON M5S 3H8, Canada. [Warren, Michael S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Hamaus, N (reprint author), Univ Paris 06, CNRS, Inst Astrophys Paris, UMR 7095, F-75014 Paris, France. EM hamaus@iap.fr OI Warren, Michael/0000-0002-1218-7904; WANDELT, Benjamin/0000-0002-5854-8269; Lavaux, Guilhem/0000-0003-0143-8891 FU LANL Institutional Computing program; NSF [AST-0908902]; Agence Nationale de Recherche [ANR-10-CEXC-004-01]; Chaire Internationale at the Universite Pierre et Marie Curie; CITA National Fellowship; Government of Canada Post-Doctoral Research Fellowship; Government of Canada through Industry Canada; Province of Ontario through the Ministry of Research and Innovation FX We thank Stephane Colombi, Neal Dalal, Vincent Desjacques, Jens Jasche, Florent Leclercq, Alice Pisani, Joe Silk, and Douglas Spolyar for helpful discussions and Jeremy Tinker for providing his HOD code. We acknowledge support of the LANL Institutional Computing program for the simulations presented here. This work was partially supported by NSF Grant No. AST-0908902. B. D. W. is partially supported by a senior Excellence Chair by the Agence Nationale de Recherche (ANR-10-CEXC-004-01) and a Chaire Internationale at the Universite Pierre et Marie Curie. G. L. acknowledges support from CITA National Fellowship and financial support from the Government of Canada Post-Doctoral Research Fellowship. Research at Perimeter Institute is supported by the Government of Canada through Industry Canada and by the Province of Ontario through the Ministry of Research and Innovation. NR 41 TC 36 Z9 36 U1 0 U2 5 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 JAN 29 PY 2014 VL 112 IS 4 AR 041304 DI 10.1103/PhysRevLett.112.041304 PG 5 WC Physics, Multidisciplinary SC Physics GA AB7CS UT WOS:000331947500003 PM 24580436 ER PT J AU Liu, Y Graninger, AL Hasdemir, S Shayegan, M Pfeiffer, LN West, KW Baldwin, KW Winkler, R AF Liu, Yang Graninger, A. L. Hasdemir, S. Shayegan, M. Pfeiffer, L. N. West, K. W. Baldwin, K. W. Winkler, R. TI Fractional Quantum Hall Effect at nu=1/2 in Hole Systems Confined to GaAs Quantum Wells SO PHYSICAL REVIEW LETTERS LA English DT Article ID ELECTRON-SYSTEM; STATE; LIQUID; PHASE AB We observe the fractional quantum Hall effect (FQHE) at the even-denominator Landau level filling factor nu = 1/2 in two-dimensional hole systems confined to GaAs quantum wells of width 30 to 50 nm and having bilayerlike charge distributions. The nu = 1/2 FQHE is stable when the charge distribution is symmetric and only in a range of intermediate densities, qualitatively similar to what is seen in two-dimensional electron systems confined to approximately twice wider GaAs quantum wells. Despite the complexity of the hole Landau level structure, originating from the coexistence and mixing of the heavy-and light-hole states, we find the hole nu = 1/2 FQHE to be consistent with a two-component, Halperin-Laughlin (Psi(331)) state. C1 [Liu, Yang; Graninger, A. L.; Hasdemir, S.; Shayegan, M.; Pfeiffer, L. N.; West, K. W.; Baldwin, K. W.] Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA. [Winkler, R.] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Winkler, R.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Liu, Y (reprint author), Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA. FU DOE BES [DE-FG02-00-ER45841, DE-AC02-06CH11357]; Gordon and Betty Moore Foundation [GBMF2719]; Keck Foundation; NSF [DMR-1305691, MRSEC DMR-0819860, DMR-1157490]; State of Florida; DOE FX We acknowledge support from the DOE BES (Grant No. DE-FG02-00-ER45841) for measurements, and the Gordon and Betty Moore Foundation (Grant No. GBMF2719), the Keck Foundation, and the NSF (Grants No. DMR-1305691 and No. MRSEC DMR-0819860) for sample fabrication. Work at Argonne was supported by DOE BES under Contract No. DE-AC02-06CH11357. A portion of this work was performed at the National High Magnetic Field Laboratory, which is supported by NSF Cooperative Agreement No. DMR-1157490, by the State of Florida, and by the DOE. We thank J. K. Jain and Z. Papic for illuminating discussions, and S. Hannahs, E. Palm, J. H. Park, T. P. Murphy, and G. E. Jones for technical assistance. NR 29 TC 12 Z9 12 U1 2 U2 13 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 JAN 29 PY 2014 VL 112 IS 4 AR 046804 DI 10.1103/PhysRevLett.112.046804 PG 5 WC Physics, Multidisciplinary SC Physics GA AB7CS UT WOS:000331947500015 PM 24580479 ER PT J AU Proetto, MT Rush, AM Chien, MP Baeza, PA Patterson, JP Thompson, MP Olson, NH Moore, CE Rheingold, AL Andolina, C Millstone, J Howell, SB Browning, ND Evans, JE Gianneschi, NC AF Proetto, Maria T. Rush, Anthony M. Chien, Miao-Ping Baeza, Patricia Abellan Patterson, Joseph P. Thompson, Matthew P. Olson, Norman H. Moore, Curtis E. Rheingold, Arnold L. Andolina, Christopher Millstone, Jill Howell, Stephen B. Browning, Nigel D. Evans, James E. Gianneschi, Nathan C. TI Dynamics of Soft Nanomaterials Captured by Transmission Electron Microscopy in Liquid Water SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID IN-SITU; NANOCRYSTAL GROWTH; AQUEOUS-SOLUTION; CELLS; TEM; NANOPARTICLES; SPECIMENS; MICELLES AB In this paper we present in situ transmission electron microscopy of synthetic polymeric nanoparticles with emphasis on capturing motion in a solvated, aqueous state. The nanoparticles studied were obtained from the direct polymerization of a Pt(II)-containing monomer. The resulting structures provided sufficient contrast for facile imaging in situ. We contend that this technique will quickly become essential in the characterization of analogous systems, especially where dynamics are of interest in the solvated state. We describe the preparation of the synthetic micellar nanoparticles together with their characterization and motion in liquid water with comparison to conventional electron microscopy analyses. C1 [Proetto, Maria T.; Rush, Anthony M.; Chien, Miao-Ping; Patterson, Joseph P.; Thompson, Matthew P.; Olson, Norman H.; Moore, Curtis E.; Rheingold, Arnold L.; Gianneschi, Nathan C.] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. [Howell, Stephen B.] Univ Calif San Diego, Moores Canc Ctr, La Jolla, CA 92093 USA. [Baeza, Patricia Abellan; Browning, Nigel D.] Pacific NW Natl Lab, Fundamental Computat Sci Directorate, Richland, WA 99354 USA. [Evans, James E.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. [Andolina, Christopher; Millstone, Jill] Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA. RP Gianneschi, NC (reprint author), Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. EM ngianneschi@ucsd.edu RI Andolina, Christopher/D-4639-2013; Abellan, Patricia/G-4255-2011; Patterson, Joseph/M-9981-2016; OI Abellan, Patricia/0000-0002-5797-1102; Patterson, Joseph/0000-0002-1975-1854; Browning, Nigel/0000-0003-0491-251X FU AFOSR via PECASE [FA9550-11-1-0105]; AFOSR [FA9550-12-1-0414]; AFOSR via ARO [W911NF-11-1-0264]; NIH [NIBIB R01EB011633]; NIH New Innovator award [DP2OD008724]; UCSD Cancer Researchers in Nanotechnology; Department of Energy's Office of Biological and Environmental Research; U.S. Department of Energy [DE-AC05-76RL01830]; NIH FX We acknowledge support for this work from the AFOSR via a PECASE (FA9550-11-1-0105), AFOSR (FA9550-12-1-0414), and ARO (W911NF-11-1-0264), from the NIH (NIBIB R01EB011633), and NIH New Innovator award (DP2OD008724). M.T.P. thanks the UCSD Cancer Researchers in Nanotechnology for a postdoctoral fellowship, and the mentorship of Prof. Andrew Kummel (UCSD) within that program. A portion of this work 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. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract No. DE-AC05-76RL01830. We acknowledge use of the UCSD Cryo-Electron Microscopy Facility, which is supported by NIH grants to Dr. Timothy S. Baker and a gift from the Agouron Institute to UCSD. M.T.P. thanks Dr. Dariusz Stramski and Jan Tatarkiewicz from Scripps Institution of Oceanography, UCSD for making available NanoSight instrument and assistance during experiments. NR 38 TC 34 Z9 34 U1 6 U2 84 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 JAN 29 PY 2014 VL 136 IS 4 BP 1162 EP 1165 DI 10.1021/ja408513m PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 302IR UT WOS:000330598600002 PM 24422495 ER PT J AU Martinez, S Wu, R Sanishvili, R Liu, DL Holz, R AF Martinez, Salette Wu, Rui Sanishvili, Ruslan Liu, Dali Holz, Richard TI The Active Site Sulfenic Acid Ligand in Nitrile Hydratases Can Function as a Nucleophile SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CATALYTIC-ACTIVITY; NONHEME IRON; AMINOPEPTIDASE; INHIBITORS; COMPLEXES; MECHANISM; BINDING AB Nitrile hydratase (NHase) catalyzes the hydration of nitriles to their corresponding commercially valuable amides at ambient temperatures and physiological pH. Several reaction mechanisms have been proposed for NHase enzymes; however, the source of the nucleophile remains a mystery. Boronic acids have been shown to be potent inhibitors of numerous hydrolytic enzymes due to the open shell of boron, which allows it to expand from a trigonal planar (sp(2)) form to a tetrahedral form (sp(3)). Therefore, we examined the inhibition of the Co-type NHase from Pseudonocardia thermophila JCM 3095 (PtNHase) by boronic acids via kinetics and X-ray crystallography. Both 1-butaneboronic acid (BuBA) and phenylboronic acid (PBA) function as potent competitive inhibitors of PtNHase. X-ray crystal structures for BuBA and PBA complexed to PtNHase were solved and refined at 1.5, 1.6, and 1.2 A resolution. The resulting PtNHase boronic acid complexes represent a "snapshot" of reaction intermediates and implicate the cysteine-sulfenic acid ligand as the catalytic nucleophile, a heretofore unknown role for the alpha Cys(113)-OH sulfenic acid ligand. Based on these data, a new mechanism of action for the hydration of nitriles by NHase is presented. C1 [Martinez, Salette; Holz, Richard] Marquette Univ, Dept Chem, Milwaukee, WI 53201 USA. [Martinez, Salette; Wu, Rui; Liu, Dali] Loyola Univ, Dept Chem & Biochem, Chicago, IL 60660 USA. [Sanishvili, Ruslan] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Lemont, IL 60439 USA. RP Holz, R (reprint author), Marquette Univ, Dept Chem, Milwaukee, WI 53201 USA. EM richard.holz@marquette.edu FU National Science Foundation, (RCH) [CHE-1058357]; Federal funds from the National Cancer Institute [Y1-CO-1020]; National Institute of General Medical Sciences [Y1-GM-1104]; U.S. Department of Energy, Basic Energy Sciences, Office of Science [DE-AC02-06CH11357] FX The authors thank Dr. Miguel Ballicora for helpful discussions on enzyme kinetics. This work was supported by the National Science Foundation (CHE-1058357, RCH). GM/CA @ APS has been funded in whole or in part with Federal funds from the National Cancer Institute (Y1-CO-1020) and the National Institute of General Medical Sciences (Y1-GM-1104). Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Basic Energy Sciences, Office of Science, under Contract No. DE-AC02-06CH11357. NR 29 TC 19 Z9 19 U1 4 U2 50 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 JAN 29 PY 2014 VL 136 IS 4 BP 1186 EP 1189 DI 10.1021/ja410462j PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 302IR UT WOS:000330598600008 PM 24383915 ER PT J AU Yu, Y Luo, ZT Chevrier, DM Leong, DT Zhang, P Jiang, DE Xie, JP AF Yu, Yong Luo, Zhentao Chevrier, Daniel M. Leong, David Tai Zhang, Peng Jiang, De-en Xie, Jianping TI Identification of a Highly Luminescent Au-22(SG)(18) Nanocluster SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID PROTECTED GOLD CLUSTERS; AU-25(SR)(18) NANOCLUSTERS; MASS-SPECTROMETRY; NANOPARTICLES; CORE; COMPLEXES; RESOLUTION; STABILITY; GROWTH; AU-15 AB The luminescence property of thiolated gold nanoclusters (Au NCs) is thought to involve the Au(I)-thiolate motifs on the NC surface; however, this hypothesis remains largely unexplored because of the lack of precise molecular composition and structural information of highly luminescent Au NCs. Here we report a new red-emitting thiolated Au NC, which has a precise molecular formula of Au-22(SR)(18) and exhibits intense luminescence. Interestingly, this new Au-22(SR)(18) species shows distinctively different absorption and emission features from the previously reported Au-22(SR)(16), Au-22(SR)(17), and Au-25(SR)(18). In stark contrast, Au-22(SR)(18) luminesces intensely at similar to 665 nm with a high quantum yield of similar to 8%, while the other three Au NCs show very weak luminescence. Our results indicate that the luminescence of Au-22(SR)(18) originates from the long Au(I)-thiolate motifs on the NC surface via the aggregation-induced emission pathway. Structure prediction by density functional theory suggests that Au-22(SR)(18) has two RS-[Au-SR](3) and two RS-[Au-SR](4) motifs, interlocked and capping on a prolate Au-8 core. This predicted structure is further verified experimentally by Au L-3-edge X-ray absorption fine structure analysis. C1 [Yu, Yong; Luo, Zhentao; Leong, David Tai; Xie, Jianping] Natl Univ Singapore, Dept Chem & Biomol Engn, Singapore 119260, Singapore. [Chevrier, Daniel M.; Zhang, Peng] Dalhousie Univ, Dept Chem, Halifax, NS B3H 4R2, Canada. [Chevrier, Daniel M.; Zhang, Peng] Dalhousie Univ, Inst Mat Res, Halifax, NS B3H 4R2, Canada. [Jiang, De-en] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Zhang, P (reprint author), Dalhousie Univ, Dept Chem, Halifax, NS B3H 4R2, Canada. EM peng.zhang@dal.ca; jiangd@ornl.gov; chexiej@nus.edu.sg RI Jiang, De-en/D-9529-2011; Zhang, Peng/K-5174-2012; Luo, Zhentao/B-1058-2011; XIE, Jianping/C-6211-2008; Yu, Yong/H-2622-2013; Leong, David/G-1056-2012 OI Jiang, De-en/0000-0001-5167-0731; Zhang, Peng/0000-0003-3603-0175; Leong, David/0000-0001-8539-9062; Luo, Zhentao/0000-0002-3074-046X; XIE, Jianping/0000-0002-3254-5799; Yu, Yong/0000-0002-6271-707X; FU Ministry of Education, Singapore [R-279-000-327-112]; Division of Chemical Sciences, Geo-sciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy FX This work is financially supported by the Ministry of Education, Singapore, under Grants R-279-000-327-112. Work at ORNL was supported by the Division of Chemical Sciences, Geo-sciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. NR 43 TC 158 Z9 158 U1 27 U2 203 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 JAN 29 PY 2014 VL 136 IS 4 BP 1246 EP 1249 DI 10.1021/ja411643u PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 302IR UT WOS:000330598600023 PM 24387227 ER PT J AU Lucier, BEG Johnston, KE Xu, WQ Hanson, JC Senanayake, SD Yao, SY Bourassa, MW Srebro, M Autschbach, J Schurko, RW AF Lucier, Bryan E. G. Johnston, Karen E. Xu, Wenqian Hanson, Jonathan C. Senanayake, Sanjaya D. Yao, Siyu Bourassa, Megan W. Srebro, Monika Autschbach, Jochen Schurko, Robert W. TI Unravelling the Structure of Magnus' Pink Salt SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SOLID-STATE NMR; NUCLEAR-MAGNETIC-RESONANCE; DENSITY-FUNCTIONAL THEORY; X-RAY-DIFFRACTION; CHEMICAL-SHIFT TENSORS; PT-195 NMR; QUADRUPOLAR NUCLEI; SHIELDING TENSORS; GREEN SALT; SPECTROSCOPIC PROPERTIES AB A combination of multinuclear ultra-wideline solid-state NMR, powder X-ray diffraction (pXRD), X-ray absorption fine structure experiments, and first principles calculations of platinum magnetic shielding tensors has been employed to reveal the previously unknown crystal structure of Magnus' pink salt (MPS), [Pt(NH3)(4)][PtCl4], study the isomeric Magnus' green salt (MGS), [Pt(NH3)(4)][PtCl4], and examine their synthetic precursors K2PtCl4 and Pt(NH3)(4)Cl-2 center dot H2O. A simple synthesis of MPS is detailed which produces relatively pure product in good yield. Broad Pt-195, N-14, and Cl-35 SSNMR powder patterns have been acquired using the WURST-CPMG and BRAIN-CP/WURST-CPMG pulse sequences. Experimentally measured and theoretically calculated platinum magnetic shielding tensors are shown to be very sensitive to the types and arrangements of coordinating ligands as well as intermolecular Pt-Pt metallophilic interactions. High-resolution Pt-195 NMR spectra of select regions of the broad Pt-195 powder patterns, in conjunction with an array of N-14 and Cl-35 spectra, reveal clear structural differences between all compounds. Rietveld refinements of synchrotron pXRD patterns, guided by first principles geometry optimization calculations, yield the space group, unit cell parameters, and atomic positions of MPS. The crystal structure has P-1 symmetry and resides in a pseudotetragonal unit cell with a distance of >5.5 angstrom between Pt sites in the square-planar Pt units. The long Pt-Pt distances and nonparallel orientation of Pt square planes prohibit metallophilic interactions within MPS. The combination of ultra-wideline NMR, pXRD, and computational Methods offers much promise for future investigation and characterization of Pt-containing systems. C1 [Lucier, Bryan E. G.; Johnston, Karen E.; Schurko, Robert W.] Univ Windsor, Dept Chem & Biochem, Windsor, ON N9B 3P4, Canada. [Xu, Wenqian; Hanson, Jonathan C.; Senanayake, Sanjaya D.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Yao, Siyu] Peking Univ, Ctr Computat Sci & Engn, Beijing 100871, Peoples R China. [Yao, Siyu] Peking Univ, PKU Green Chem Ctr, Beijing 100871, Peoples R China. [Bourassa, Megan W.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Srebro, Monika; Autschbach, Jochen] SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA. [Srebro, Monika] Jagiellonian Univ, Fac Chem, Dept Theoret Chem, PL-30060 Krakow, Poland. RP Autschbach, J (reprint author), SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA. EM jochena@buffalo.edu; rschurko@uwindsor.ca RI Senanayake, Sanjaya/D-4769-2009; Hanson, jonathan/E-3517-2010; Autschbach, Jochen/S-5472-2016; Srebro-Hooper, Monika/E-7114-2017; OI Senanayake, Sanjaya/0000-0003-3991-4232; Autschbach, Jochen/0000-0001-9392-877X; Srebro-Hooper, Monika/0000-0003-4211-325X; Johnston, Karen/0000-0002-9125-4203; Lucier, Bryan/0000-0002-9682-4324 FU Ontario Ministry of Training, Colleges, and Universities; Natural Sciences and Engineering Research Council (NSERC, Canada); Canadian Foundation for Innovation; Ontario Innovation Trust; University of Windsor; Ontario Ministry of Research and Innovation; Centre for Catalysis and Materials Research (CCMR) at the University of Windsor; Canada Foundation for Innovation; Recherche Quebec; National Research Council Canada; Bruker BioSpin; Natural Sciences and Engineering Research Council of Canada (NSERC); U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [AC02-98CH10886]; National Science Foundation [CHE 0952253, 1265833]; Ministry of Science and Higher Education in Poland; Foundation for Polish Science FX B.E.G.L. thanks the Ontario Ministry of Training, Colleges, and Universities for a Queen Elizabeth II Ontario Graduate Scholarship in Science and Technology (QEII-GSST). R.W.S. thanks the Natural Sciences and Engineering Research Council (NSERC, Canada), the Canadian Foundation for Innovation, the Ontario Innovation Trust and the University of Windsor for support. R.W.S. also thanks the Ontario Ministry of Research and Innovation for an Early Researcher Award, and acknowledges the Centre for Catalysis and Materials Research (CCMR) at the University of Windsor for additional funding. Dr. Kris J. Harris and Mr. Stanislav Veinberg are acknowledged for their assistance with BRAIN-CP/WURST-CPMG experiments. Prof. Walter Caseri (Swiss Federal Institute of Technology Zurich) is thanked for very helpful comments regarding the synthesis of MPS. Access to the 900 MHz NMR spectrometer was provided by the National Ultrahigh-Field NMR Facility for Solids (Ottawa, Canada), a national research facility funded by the Canada Foundation for Innovation, the Ontario Innovation Trust, Recherche Quebec, the National Research Council Canada, and Bruker BioSpin and managed by the University of Ottawa (www.nmr900.ca). The Natural Sciences and Engineering Research Council of Canada (NSERC) is acknowledged for a Major Resources Support grant. We are grateful to Dr. Victor Terskikh and Dr. Eric Ye for experiments run at the National Ultrahigh-field NMR Facility. The Brookhaven National Laboratory Chemistry Department and National Synchrotron Light Source are funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract AC02-98CH10886. This work has been supported by grants CHE 0952253 and 1265833 from the National Science Foundation. M.S. is grateful for financial support from the Ministry of Science and Higher Education in Poland ("Mobility Plus" program) and from the Foundation for Polish Science ("START" scholarship). The authors would like to acknowledge the Center for Computational Research (CCR) at the University at Buffalo for providing computational resources. M.S. thanks Dr. James Hooper for some technical advice. NR 126 TC 23 Z9 24 U1 6 U2 62 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 JAN 29 PY 2014 VL 136 IS 4 BP 1333 EP 1351 DI 10.1021/ja4076277 PG 19 WC Chemistry, Multidisciplinary SC Chemistry GA 302IR UT WOS:000330598600043 PM 24437378 ER PT J AU Quan, ZW Xu, HW Wang, CY Wen, XD Wang, YX Zhu, JL Li, RP Sheehan, CJ Wang, ZW Smilgies, DM Luo, ZP Fang, JY AF Quan, Zewei Xu, Hongwu Wang, Chenyu Wen, Xiaodong Wang, Yuxuan Zhu, Jinlong Li, Ruipeng Sheehan, Chris J. Wang, Zhongwu Smilgies, Detlef-M. Luo, Zhiping Fang, Jiye TI Solvent-Mediated Self-Assembly of Nanocube Superlattices SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID NANOCRYSTAL SUPERLATTICES; CRYSTAL-STRUCTURES; NANOSCALE FORCES; PACKING DENSITY; SUPERCRYSTALS; NANOPARTICLES; INTERFACE; SYMMETRY AB Self-organization of colloidal Pt nanocubes into two types of distinct ordered superlattices, simple-cubic and body-centered-tetragonal structures, has been achieved using a home-built setup. Detailed translational and orientational characteristics of these superstructures were determined using a transmission electron microscopy tomographic technique with 3D reconstruction analysis. The formation of these distinct superlattices is the result of a delicate choice of solvent (i.e., aliphatic hexane or aromatic toluene hydrocarbons), which serves as a dispersion medium to fine-tune the relative strengths of ligand ligand and ligand solvent interactions during the self-assembly process. This work provides important insights into the effects of ligand solvent interactions on superlattice formation from nonspherical nanoparticles. C1 [Quan, Zewei; Wang, Chenyu; Fang, Jiye] SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA. [Wang, Yuxuan; Fang, Jiye] SUNY Binghamton, Mat Sci & Engn Program, Binghamton, NY 13902 USA. [Quan, Zewei; Xu, Hongwu] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. [Wen, Xiaodong] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Zhu, Jinlong] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. [Sheehan, Chris J.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Li, Ruipeng; Wang, Zhongwu; Smilgies, Detlef-M.] Cornell Univ, Wilson Lab, Cornell High Energy Synchrotron Source, Ithaca, NY 14853 USA. [Luo, Zhiping] Fayetteville State Univ, Dept Chem & Phys, Fayetteville, NC 28301 USA. [Luo, Zhiping] Texas A&M Univ, Microscopy & Imaging Ctr, College Stn, TX 77843 USA. RP Luo, ZP (reprint author), Fayetteville State Univ, Dept Chem & Phys, Fayetteville, NC 28301 USA. EM zluo@uncfsu.edu; jfang@binghamton.edu RI Quan, Zewei/G-4759-2011; Li, Ruipeng/A-3691-2014; Wang, Yuxuan/P-4470-2014; Luo, Zhiping/C-4435-2014; OI Li, Ruipeng/0000-0001-8176-3138; Luo, Zhiping/0000-0002-8264-6424; Smilgies, Detlef/0000-0001-9351-581X; Xu, Hongwu/0000-0002-0793-6923 FU S3IP at Binghamton University; DOE STTR Program; Laboratory-Directed Research and Development (LDRD) Program of Los Alamos National Laboratory under DOE [DE-AC52-06NA25396]; National Science Foundation; National Institutes of Health/National Institute of General Medical Sciences under NSF Award [DMR-0936384] FX This work was partially supported by S3IP at Binghamton University and the DOE STTR Program. Pt NCb self-assembly was prepared at the Cornell High Energy Synchrotron Source (CHESS). Z.Q. acknowledges the J. Robert Oppenheimer (JRO) Fellowship supported by the Laboratory-Directed Research and Development (LDRD) Program of Los Alamos National Laboratory, which is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. CHESS is supported by the National Science Foundation and the National Institutes of Health/National Institute of General Medical Sciences under NSF Award DMR-0936384. We appreciate Welley Siu Loc from Pennsylvania State University for her assistance in the design and completion of Scheme 1. NR 49 TC 35 Z9 35 U1 19 U2 160 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 JAN 29 PY 2014 VL 136 IS 4 BP 1352 EP 1359 DI 10.1021/ja408250q PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 302IR UT WOS:000330598600044 PM 24397381 ER PT J AU Zabet-Khosousi, A Zhao, LY Palova, L Hybertsen, MS Reichman, DR Pasupathy, AN Flynn, GW AF Zabet-Khosousi, Amir Zhao, Liuyan Palova, Lucia Hybertsen, Mark S. Reichman, David R. Pasupathy, Abhay N. Flynn, George W. TI Segregation of Sublattice Domains in Nitrogen-Doped Graphene SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MONOLAYER GRAPHENE; ELECTRONIC-STRUCTURE; GROWTH; EDGE; SURFACE; MECHANISM; DEFECTS; BORON; CU AB Atomic-level details of dopant distributions can significantly influence the material properties. Using scanning tunneling microscopy, we investigate the distribution of substitutional dopants in nitrogen-doped graphene with regard to sublattice occupancy within the honeycomb structure. Samples prepared by chemical vapor deposition (CVD) using pyridine on copper exhibit well-segregated domains of nitrogen dopants in the same sublattice, extending beyond 100 nm. On the other hand, samples prepared by postsynthesis doping of pristine graphene exhibit a random distribution between sublattices. On the basis of theoretical calculations, we attribute the formation of sublattice domains to the preferential attachment of nitrogen to the edge sites of graphene during the CVD growth process. The breaking of sublattice symmetry in doped graphene can have important implications in its electronic applications, such as the opening of a tunable band gap in the material. C1 [Zabet-Khosousi, Amir; Palova, Lucia; Reichman, David R.; Flynn, George W.] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Zhao, Liuyan; Pasupathy, Abhay N.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Hybertsen, Mark S.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Flynn, GW (reprint author), Columbia Univ, Dept Chem, New York, NY 10027 USA. EM gwf1@columbia.edu OI Hybertsen, Mark S/0000-0003-3596-9754 FU Department of Energy [DE-FG02-88ER13937]; EFRC [DE-SC0001085]; Center for Functional Nanomaterials, Brookhaven National Laboratory [DE-AC02-98CH10886]; Air Force Office of Scientific Research [MURI FA955009-1-0705]; New York State Office of Science, Technology, and Academic Research (NYSTAR); National Science Foundation [CHE-10-12058]; Defense Advanced Research Projects Agency [N66001-12-1-4216]; Air Force Office for Scientific Research [FA9550-11-1-0010] FX This work was funded by the Department of Energy under Grant Nos. DE-FG02-88ER13937 (G.W.F.), EFRC Award DE-SC0001085 (G.W.F., A.N.P., D.R.R) and for work done in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, under Contract No. DE-AC02-98CH10886, and by the Air Force Office of Scientific Research (MURI FA955009-1-0705). We acknowledge financial support from the New York State Office of Science, Technology, and Academic Research (NYSTAR). Equipment support was provided by the National Science Foundation under grant CHE-10-12058 (G.W.F.). A.N.P. also acknowledges salary support provided by Defense Advanced Research Projects Agency grant no. N66001-12-1-4216 and Air Force Office for Scientific Research under grant no. FA9550-11-1-0010. NR 53 TC 42 Z9 42 U1 2 U2 110 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 JAN 29 PY 2014 VL 136 IS 4 BP 1391 EP 1397 DI 10.1021/ja408463g PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 302IR UT WOS:000330598600048 PM 24392951 ER PT J AU Ha, JW Ruberu, TPA Han, R Dong, B Vela, J Fang, N AF Ha, Ji Won Ruberu, T. Purnima A. Han, Rui Dong, Bin Vela, Javier Fang, Ning TI Super-Resolution Mapping of Photogenerated Electron and Hole Separation in Single Metal-Semiconductor Nanocatalysts SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID PHOTOCATALYTIC HYDROGEN-PRODUCTION; PHOTOINDUCED CHARGE SEPARATION; VISIBLE-LIGHT; NANOROD HETEROSTRUCTURES; OXIDATION REACTIONS; NANOWIRE ARRAYS; HOT-ELECTRONS; CDS; TIO2; WATER AB Metal-semiconductor heterostructures are promising visible light photocatalysts for many chemical reactions. Here, we use high-resolution superlocalization imaging to reveal the nature and photocatalytic properties of the surface reactive sites on single Au-CdS hybrid nanocatalysts. We experimentally reveal two distinct, incident energy-dependent charge separation mechanisms that result in completely opposite photogenerated reactive sites (e(-) and h(+)) and divergent energy flows on the hybrid nanocatalysts. We find that plasmon-induced hot electrons in Au are injected into the conduction band of the CdS semiconductor nanorod. The specifically designed Au-tipped CdS heterostructures with a unique geometry (two Au nanoparticles at both ends of each CdS nanorod) provide more convincing high-resolution single-turnover mapping results and clearly prove the two charge separation mechanisms. Engineering the direction of energy flow at the nanoscale can provide an efficient way to overcome important challenges in photocatalysis, such as controlling catalytic activity and selectivity. These results bear enormous potential impact on the development of better visible light photocatalysts for solar-to-chemical energy conversion. C1 [Vela, Javier] Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Vela, J (reprint author), Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. EM vela@iastate.edu; nfang@iastate.edu RI Vela, Javier/I-4724-2014 OI Vela, Javier/0000-0001-5124-6893 FU Laboratory Directed Research and Development Program of the Ames Laboratory, U.S. Department of Energy; U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358] FX This work was supported by the Laboratory Directed Research and Development Program of the Ames Laboratory, U.S. Department of Energy. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract no. DE-AC02-07CH11358. NR 68 TC 43 Z9 45 U1 19 U2 176 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 JAN 29 PY 2014 VL 136 IS 4 BP 1398 EP 1408 DI 10.1021/ja409011y PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 302IR UT WOS:000330598600049 PM 24410481 ER PT J AU Lin, JP Li, XD Qiao, GJ Wang, Z Carrete, J Ren, Y Ma, LZ Fei, YJ Yang, BF Lei, L Li, J AF Lin, Jianping Li, Xudong Qiao, Guanjun Wang, Zhao Carrete, Jesus Ren, Yang Ma, Lingzhi Fei, Youjian Yang, Baifeng Lei, Lei Li, Ju TI Unexpected High-Temperature Stability of beta-Zn4Sb3 Opens the Door to Enhanced Thermoelectric Performance SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MOLECULAR-DYNAMICS; ZINC ANTIMONIDE; INTERSTITIAL ZN; ZN4SB3; PHASE; MERIT; CRYSTALS; DENSITY; DEVICES; FIGURE AB beta-Zn4Sb3 has one of the highest ZT reported for binary compounds, but its practical applications have been hindered by a reported poor stability. Here we report the fabrication of nearly dense single-phase beta-Zn4Sb3 and a study of its thermoelectric transport coefficients across a wide temperature range. Around 425 K we find an abrupt decrease of its thermal conductivity. Past this point, Zn atoms can migrate from crystalline sites to interstitial positions; beta-Zn4Sb3 becomes metastable and gradually decomposes into Zn(hcp) and ZnSb. However, above 565 K. it recovers its stability; in fact, the damage caused by decomposition can be repaired completely. This is key to its excellent thermoelectric performance at high temperature: the maximum ZT reaches 1.4. Molecular dynamics simulations are used to shed light on the microscopic behavior of the material. C1 [Lin, Jianping; Qiao, Guanjun; Ma, Lingzhi; Fei, Youjian; Yang, Baifeng; Lei, Lei] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China. [Li, Xudong; Wang, Zhao; Li, Ju] Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, Xian 710049, Peoples R China. [Qiao, Guanjun] Jiangsu Univ, Sch Mat Sci & Engn, Zhenjiang 212013, Peoples R China. [Carrete, Jesus] CEA Grenoble, F-38000 Grenoble, France. [Ren, Yang] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Li, Ju] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. [Li, Ju] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. RP Qiao, GJ (reprint author), Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China. EM gjqiao@mail.xjtu.edu.cn; zwangzhao@gmail.com; liju@mit.edu RI Li, Ju/A-2993-2008; WANG, Zhao/E-7462-2011; Carrete Montana, Jesus/G-9490-2012 OI Li, Ju/0000-0002-7841-8058; WANG, Zhao/0000-0003-1887-223X; Carrete Montana, Jesus/0000-0003-0971-1098 FU U.S. DOE Office of Science [DE-AC02-06CH11357]; National Basic Research Program of China [2012CB619402, 2014CB644003]; National Natural Science Foundation of China [11204228]; NSF [DMR-1240933, DMR-1120901] FX The authors thank Maud Giot, Guilhem Dezanneau, and Yang Hu at Ecole Centrale de Paris for assistance with the structure refinement, Shuo Chen at Boston College for useful advice, and Kai Chen at Xi'an Jiaotong University for useful discussions. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. DOE Office of Science under contract no. DE-AC02-06CH11357. This work has been supported by National Basic Research Program of China (grant nos. 2012CB619402 and 2014CB644003) and National Natural Science Foundation of China (11204228). JL acknowledges support by NSF DMR-1240933 and DMR-1120901. NR 39 TC 29 Z9 31 U1 14 U2 118 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 JAN 29 PY 2014 VL 136 IS 4 BP 1497 EP 1504 DI 10.1021/ja410605f PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 302IR UT WOS:000330598600058 PM 24364700 ER PT J AU Akimov, AV Prezhdo, OV AF Akimov, Alexey V. Prezhdo, Oleg V. TI Nonadiabatic Dynamics of Charge Transfer and Singlet Fission at the Pentacene/C-60 Interface SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MULTIPLE EXCITON GENERATION; SENSITIZED SOLAR-CELLS; SEMICONDUCTOR QUANTUM-DOT; WALLED CARBON NANOTUBES; INITIO TIME-DOMAIN; MOLECULAR-DYNAMICS; AB-INITIO; PROTON-TRANSFER; BAND-GAPS; THIN-FILM AB Charge carrier multiplication in organic heterojunction systems, a process known as singlet fission (SF), holds promise for development of solar cells with enhanced photon-to-electron yields, and therefore it is of substantial fundamental interest. The efficiency of photovoltaic devices based on this principle is determined by complex dynamics involving key electronic states coupled to particular nuclear motions. Extensive experimental and theoretical studies are dedicated to this topic, generating multiple opinions on the nature of such states and motions, their properties, and mechanisms of the competing processes, including electron-phonon relaxation, SF, and charge separation. Using nonadiabatic molecular dynamics, we identify the key steps and mechanisms involved in the SF and subsequent charge separation, and build a comprehensive kinetic scheme that is consistent with the existing experimental and theoretical results. The ensuing model provides time scales that are in excellent agreement with the experimental observations. We demonstrate that SF competes with the traditional photoinduced electron transfer between pentacene and C-60. Efficient SF relies on the presence of intermediate dark states within the pentacene subsystem. Having multiexciton and charge transfer character, these states play critical roles in the dynamics, and should be considered explicitly when explaining the entire process from the photoexcitation to the final charge separation. C1 [Akimov, Alexey V.; Prezhdo, Oleg V.] Univ Rochester, Dept Chem, Rochester, NY 14627 USA. [Akimov, Alexey V.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Prezhdo, OV (reprint author), Univ Rochester, Dept Chem, Rochester, NY 14627 USA. EM oleg.prezhdo@rochester.edu RI Akimov, Alexey/H-9547-2014 FU National Science Foundation [CHE-1050405] FX We are grateful to Drs. Heather Jaeger and Lin Jun Wang for useful discussions and comments, and acknowledge financial support from the National Science Foundation, grant CHE-1050405. NR 95 TC 45 Z9 45 U1 6 U2 113 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 JAN 29 PY 2014 VL 136 IS 4 BP 1599 EP 1608 DI 10.1021/ja411800n PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 302IR UT WOS:000330598600069 PM 24397723 ER PT J AU Perry, RJ Genovese, SE Farnum, RL Spiry, I Perry, TM O'Brien, MJ Xie, HB Chen, DL Enick, RM Johnson, JK Alshahrani, SS AF Perry, Robert J. Genovese, Sarah E. Farnum, Rachel L. Spiry, Irina Perry, Thomas M. O'Brien, Michael J. Xie, Hong-bin Chen, De-Li Enick, Robert M. Johnson, J. Karl Alshahrani, Saeed S. TI A Combined Experimental and Computational Study on Selected Physical Properties of Aminosilicones SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID CO2 CAPTURE; CARBON-DIOXIDE; POWER-PLANTS; AQUEOUS MONOETHANOLAMINE; SURFACE-TENSION; ABSORPTION; BEHAVIOR; DENSITY; PERFORMANCE; SOLUBILITY AB A number of physical properties of aminosilicones have been determined experimentally and predicted computationally. It was found that COSMO-RS predicted the densities of the materials under study to within about 4% of the experimentally determined values. Vapor pressure measurements were performed, and all of the aminosilicones of interest were found to be significantly less volatile than the benchmark MEA material. COSMO-RS was reasonably accurate for predicting the vapor pressures for aminosilicones that were thermally stable. The heat capacities of all aminosilicones tested were between 2.0 and 2.3 J/(g.degrees C); again substantially lower than a benchmark 30% aqueous MEA solution. Surface energies for the aminosilicones were found to be 23.3-28.3 dyne/cm and were accurately predicted using the parachor method. C1 [Perry, Robert J.; Genovese, Sarah E.; Farnum, Rachel L.; Spiry, Irina; O'Brien, Michael J.] Gen Elect Global Res, Niskayuna, NY 12309 USA. [Perry, Thomas M.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Xie, Hong-bin; Chen, De-Li; Enick, Robert M.; Johnson, J. Karl; Alshahrani, Saeed S.] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Xie, Hong-bin; Chen, De-Li; Enick, Robert M.; Johnson, J. Karl] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Perry, RJ (reprint author), Gen Elect Global Res, 1 Res Circle, Niskayuna, NY 12309 USA. EM perryr@research.ge.com RI Chen, De-Li/H-6867-2012; Johnson, Karl/E-9733-2013; Xie, Hong-Bin /N-9886-2016 OI Johnson, Karl/0000-0002-3608-8003; FU Advanced Research Projects Agency-Energy (ARPA-E), U.S. Department of Energy [DE-AR0000084]; Department of Energy, National Energy Technology Laboratory [DE-NT0005310] FX The information, data, or work presented herein was funded in part by the Advanced Research Projects Agency-Energy (ARPA-E), U.S. Department of Energy, under Award Number DE-AR0000084 and by the Department of Energy, National Energy Technology Laboratory under Award Number DE-NT0005310. NR 52 TC 2 Z9 2 U1 1 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD JAN 29 PY 2014 VL 53 IS 4 BP 1334 EP 1341 DI 10.1021/ie4035835 PG 8 WC Engineering, Chemical SC Engineering GA 302IT UT WOS:000330598800006 ER PT J AU Gelis, AV Lumetta, GJ AF Gelis, Artem V. Lumetta, Gregg J. TI Actinide Lanthanide Separation Process-ALSEP SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID COUNTER-CURRENT EXTRACTION; TRANSURANIC ELEMENTS; PARTITIONING PROCESSES; TRIVALENT LANTHANIDES; MINOR ACTINIDES; COMBINING CMPO; NUCLEAR-FUEL; NITRIC-ACID; PART II; HDEHP AB Separation of the minor actinides (Am, Cm) from the lanthanides at an industrial scale remains a significant technical challenge for closing the nuclear fuel cycle. To increase the safety of used nuclear fuel (UNF) reprocessing, as well as reduce associated costs, a novel solvent extraction process has been developed. The process allows for partitioning minor actinides, lanthanides, and fission products following uranium/plutonium/neptunium removal, minimizing the number of separation steps, flowsheets, chemical consumption, and waste. This new process, actinide lanthanide separation (ALSEP), uses an organic solvent consisting of a neutral diglycolamide extractant, either N,N,N',N'-tetra(2-ethylhexyl)diglycolamide (T2EHDGA) or N,N,N',N'-tetraoctyldiglycolamide (TODGA), and an acidic extractant 2-ethylhexylphosphonic acid mono-2-ethylhexyl ester (HEH[EHP]), dissolved in an aliphatic diluent (e.g., n-dodecane). The An/Ln coextraction is conducted from moderate-to-strong nitric acid, while the selective stripping of the minor actinides from the lanthanides is carried out using a polyaminocarboxylic acid/citrate buffered solution at pH anywhere between 3 and 4.5. The extraction and separation of the actinides from the fission products is very effective in a wide range of HNO3 concentrations, and the minimum separation factors., for lanthanide/Am exceed 30 for Nd/Am, reaching >60 for Eu/Am under some conditions. The experimental results presented here demonstrate the great potential for a combined system, consisting of a neutral extractant such as T2EHDGA or TODGA, and an acidic extractant such as HEH[EHP], for separating the minor actinides from the lanthanides. C1 [Gelis, Artem V.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Lumetta, Gregg J.] Pacific NW Natl Lab, Nucl Chem & Engn Grp, Richland, WA 99352 USA. RP Gelis, AV (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gelis@anl.gov FU U.S. Department of Energy, Office of Nuclear Energy, Fuel Cycle Research and Development Project [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Nuclear Energy, Fuel Cycle Research and Development Project under Contract DE-AC02-06CH11357. We thank Delbert Bowers (ANL) and Elizabeth Krahn (ANL) for experimental help and Brian Gullekson (ANL), Maria R Blasier (ANL), and Brian Rapko (PNNL) for contributions to editing this manuscript. NR 34 TC 32 Z9 32 U1 4 U2 58 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD JAN 29 PY 2014 VL 53 IS 4 BP 1624 EP 1631 DI 10.1021/ie403569e PG 8 WC Engineering, Chemical SC Engineering GA 302IT UT WOS:000330598800036 ER PT J AU Bicer, M Yildiz, HD Yildiz, I Coignet, G Delmastro, M Alexopoulos, T Grojean, C Antusch, S Sen, T He, HJ Potamianos, K Haug, S Moreno, A Heister, A Sanz, V Gomez-Ceballos, G Klute, M Zanetti, M Wang, LT Dam, M Boehm, C Glover, N Krauss, F Lenz, A Syphers, M Leonidopoulos, C Ciulli, V Lenzi, P Sguazzoni, G Antonelli, M Boscolo, M Dosselli, U Frasciello, O Milardi, C Venanzoni, G Zobov, M van der Bij, J de Gruttola, M Kim, DW Bachtis, M Butterworth, A Bernet, C Botta, C Carminati, F David, A Deniau, L D'Enterria, D Ganis, G Goddard, B Giudice, G Janot, P Jowett, JM Lourenco, C Malgeri, L Meschi, E Moortgat, F Musella, P Osborne, JA Perrozzi, L Pierini, M Rinolfi, L de Roeck, A Rojo, J Roy, G Sciaba, A Valassi, A Waaijer, C Wenninger, J Woehri, H Zimmermann, F Blondel, A Koratzinos, M Mermod, P Onel, Y Talman, R Miranda, EC Bulyak, E Porsuk, D Kovalskyi, D Padhi, S Faccioli, P Ellis, JR Campanelli, M Bai, Y Chamizo, M Appleby, R Owen, H Cuna, HM Gracios, C Munoz-Hernandez, GA Trentadue, L Torrente-Lujan, E Wang, S Bertsche, D Gramolin, A Telnov, V Kado, M Petroff, P Azzi, P Nicrosini, O Piccinini, F Montagna, G Kapusta, F Laplace, S da Silva, W Gizani, N Craig, N Han, T Luci, C Mele, B Silvestrini, L Ciuchini, M Cakir, R Aleksan, R Couderc, F Ganjour, S Lancon, E Locci, E Schwemling, P Spiro, M Tanguy, C Zinn-Justin, J Moretti, S Kikuchi, M Koiso, H Ohmi, K Oide, K Pauletta, G de Austri, RR Gouzevitch, M Chattopadhyay, S AF Bicer, M. Yildiz, H. Duran Yildiz, I. Coignet, G. Delmastro, M. Alexopoulos, T. Grojean, C. Antusch, S. Sen, T. He, H-J. Potamianos, K. Haug, S. Moreno, A. Heister, A. Sanz, V. Gomez-Ceballos, G. Klute, M. Zanetti, M. Wang, L-T Dam, M. boehm, C. Glover, N. Krauss, F. Lenz, A. Syphers, M. Leonidopoulos, C. Ciulli, V. Lenzi, P. Sguazzoni, G. Antonelli, M. Boscolo, M. Dosselli, U. Frasciello, O. Milardi, C. Venanzoni, G. Zobov, M. van der Bij, J. de Gruttola, M. Kim, D-W Bachtis, M. Butterworth, A. Bernet, C. Botta, C. Carminati, F. David, A. Deniau, L. d'Enterria, D. Ganis, G. Goddard, B. Giudice, G. Janot, P. Jowett, J. M. Lourenco, C. Malgeri, L. Meschi, E. Moortgat, F. Musella, P. Osborne, J. A. Perrozzi, L. Pierini, M. Rinolfi, L. de Roeck, A. Rojo, J. Roy, G. Sciaba, A. Valassi, A. Waaijer, C. S. Wenninger, J. Woehri, H. Zimmermann, F. Blondel, A. Koratzinos, M. Mermod, P. Onel, Y. Talman, R. Miranda, E. Castaneda Bulyak, E. Porsuk, D. Kovalskyi, D. Padhi, S. Faccioli, P. Ellis, J. R. Campanelli, M. Bai, Y. Chamizo, M. Appleby, R. B. Owen, H. Cuna, H. Maury Gracios, C. Munoz-Hernandez, G. A. Trentadue, L. Torrente-Lujan, E. Wang, S. Bertsche, D. Gramolin, A. Telnov, V. Kado, M. Petroff, P. Azzi, P. Nicrosini, O. Piccinini, F. Montagna, G. Kapusta, F. Laplace, S. da Silva, W. Gizani, N. Craig, N. Han, T. Luci, C. Mele, B. Silvestrini, L. Ciuchini, M. Cakir, R. Aleksan, R. Couderc, F. Ganjour, S. Lancon, E. Locci, E. Schwemling, P. Spiro, M. Tanguy, C. Zinn-Justin, J. Moretti, S. Kikuchi, M. Koiso, H. Ohmi, K. Oide, K. Pauletta, G. Ruiz de Austri, R. Gouzevitch, M. Chattopadhyay, S. CA TLEP Design Study Working Grp TI First look at the physics case of TLEP SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE e plus -e- Experiments ID OF-MASS ENERGIES; E(+)E(-) COLLISIONS; MISSING ENERGY; COUPLING-CONSTANTS; GRAND UNIFICATION; STANDARD MODEL; ATLAS DETECTOR; SINGLE-PHOTON; HIGGS-BOSON; LHC AB The discovery by the ATLAS and CMS experiments of a new boson with mass around 125 GeV and with measured properties compatible with those of a Standard-Model Higgs boson, coupled with the absence of discoveries of phenomena beyond the Standard Model at the TeV scale, has triggered interest in ideas for future Higgs factories. A new circular e(+)e(-) collider hosted in a 80 to 100 km tunnel, TLEP, is among the most attractive solutions proposed so far. It has a clean experimental environment, produces high luminosity for top-quark, Higgs boson, W and Z studies, accommodates multiple detectors, and can reach energies up to the threshold and beyond. It will enable measurements of the Higgs boson properties and of Electroweak Symmetry-Breaking (EWSB) parameters with unequalled precision, offering exploration of physics beyond the Standard Model in the multi-TeV range. Moreover, being the natural precursor of the VHE-LHC, a 100 TeV hadron machine in the same tunnel, it builds up a long-term vision for particle physics. Altogether, the combination of TLEP and the VHE-LHC offers, for a great cost effectiveness, the best precision and the best search reach of all options presently on the market. This paper presents a first appraisal of the salient features of the TLEP physics potential, to serve as a baseline for a more extensive design study. C1 [Bicer, M.] Ankara Univ, Fac Sci, TR-06100 Ankara, Turkey. [Yildiz, H. Duran] Ankara Univ, IAT, TR-06100 Ankara, Turkey. [Yildiz, I.] Middle E Tech Univ, TR-06531 Ankara, Turkey. [Coignet, G.; Delmastro, M.] CNRS, IN2P3, Lab Annecy Le Vieux Phys Particules, Annecy Le Vieux, France. [Alexopoulos, T.] Natl Tech Univ Athens, Athens, Greece. [Grojean, C.] Inst Catalana Recerca & Estudis, Barcelona, Spain. [Antusch, S.] Univ Basel, Basel, Switzerland. [Sen, T.] Fermilab Natl Accelerator Lab, Batavia, IL USA. [He, H-J.] Tsinghua Univ, Beijing 100084, Peoples R China. [Potamianos, K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Haug, S.] Univ Bern, AEC LHEP, CH-3012 Bern, Switzerland. [Moreno, A.] Univ Antonio Narino, Bogota, Colombia. [Heister, A.] Boston Univ, Boston, MA 02215 USA. [Sanz, V.] Univ Sussex, Brighton, E Sussex, England. [Gomez-Ceballos, G.; Klute, M.; Zanetti, M.] MIT, Cambridge, MA 02139 USA. [Wang, L-T] Univ Chicago, Chicago, IL 60637 USA. [Dam, M.] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [boehm, C.; Glover, N.; Krauss, F.; Lenz, A.] Univ Durham, Inst Particle Phys Phenomenol, Durham, England. [Syphers, M.] Michigan State Univ, E Lansing, MI 48824 USA. [Leonidopoulos, C.] Univ Edinburgh, Edinburgh, Midlothian, Scotland. [Ciulli, V.; Lenzi, P.; Sguazzoni, G.] Ist Nazl Fis Nucl, Sez Firenze, Milan, Italy. [Antonelli, M.; Boscolo, M.; Dosselli, U.; Frasciello, O.; Milardi, C.; Venanzoni, G.; Zobov, M.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [van der Bij, J.] Univ Freiburg, D-79106 Freiburg, Germany. [de Gruttola, M.] Univ Florida, Gainesville, FL USA. [Kim, D-W] Gangneung Wonju Natl Univ, Kangnung, South Korea. [Bachtis, M.; Butterworth, A.; Bernet, C.; Botta, C.; Carminati, F.; David, A.; Deniau, L.; d'Enterria, D.; Ganis, G.; Goddard, B.; Giudice, G.; Janot, P.; Jowett, J. M.; Lourenco, C.; Malgeri, L.; Meschi, E.; Moortgat, F.; Musella, P.; Osborne, J. A.; Perrozzi, L.; Pierini, M.; Rinolfi, L.; de Roeck, A.; Rojo, J.; Roy, G.; Sciaba, A.; Valassi, A.; Waaijer, C. S.; Wenninger, J.; Woehri, H.; Zimmermann, F.] CERN, Geneva, Switzerland. [Blondel, A.; Koratzinos, M.; Mermod, P.] Univ Geneva, Geneva, Switzerland. [Onel, Y.] Univ Iowa, Iowa City, IA USA. [Talman, R.] Cornell Univ, Ithaca, NY USA. [Miranda, E. Castaneda] Univ Johannesburg, Johannesburg, South Africa. [Bulyak, E.] NSC KIPT, Kharkov, Ukraine. [Porsuk, D.] Dumlupinar Univ, Kutahya, Turkey. [Kovalskyi, D.; Padhi, S.] Univ Calif San Diego, La Jolla, CA USA. [Faccioli, P.] LIP, P-1000 Lisbon, Portugal. [Ellis, J. R.] Kings Coll London, London WC2R 2LS, England. [Campanelli, M.] UCL, London, England. [Bai, Y.] Univ Wisconsin, Madison, WI USA. [Chamizo, M.] CIEMAT, E-28040 Madrid, Spain. [Appleby, R. B.; Owen, H.] Univ Manchester, Cockcroft Inst, Manchester, Lancs, England. [Cuna, H. Maury] Inst Politecn Nacl, Ctr Invest & Estudios Avanzados, Merida, Mexico. [Gracios, C.; Munoz-Hernandez, G. A.] Ist Tecnol Puebla, Puebla, Mexico. [Gracios, C.; Munoz-Hernandez, G. A.] CONACYT, Mexico City, DF, Mexico. [Trentadue, L.] Ist Nazl Fis Nucl, Sez Milano Bicocca, Milan, Italy. [Torrente-Lujan, E.] Univ Murcia, IFT, Murcia, Spain. [Wang, S.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. [Bertsche, D.] Univ Oklahoma, Dept Phys & Astron, Norman, OK 73019 USA. [Gramolin, A.; Telnov, V.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Kado, M.; Petroff, P.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Azzi, P.] CNRS, IN2P3, Lab Accelerateur Lineaire, F-91405 Orsay, France. [Nicrosini, O.; Piccinini, F.] Ist Nazl Fis Nucl, Sez Padova, Milan, Italy. [Montagna, G.] Ist Nazl Fis Nucl, Sez Pavia, Milan, Italy. [Kapusta, F.; Laplace, S.; da Silva, W.] Univ Pavia, I-27100 Pavia, Italy. [Kapusta, F.; Laplace, S.; da Silva, W.] CNRS, IN2P3, Lab Phys Nucl & Hautes Energies, Paris, France. [Gizani, N.] Hellen Open Univ, Patras, Greece. [Craig, N.] Rutgers State Univ, Piscataway, NJ USA. [Han, T.] Univ Pittsburgh, Pittsburgh, PA USA. [Luci, C.; Mele, B.; Silvestrini, L.] Univ Roma La Sapienza, INFN, Rome, Italy. [Ciuchini, M.] Ist Nazl Fis Nucl, Sez Roma Tre, Rome, Italy. [Cakir, R.] Recep Tayyip Erdogan Univ, Rize, Turkey. [Aleksan, R.; Couderc, F.; Ganjour, S.; Lancon, E.; Locci, E.; Schwemling, P.; Spiro, M.; Tanguy, C.; Zinn-Justin, J.] IRFU, CEA, Saclay, France. [Moretti, S.] Univ Southampton, Southampton, Hants, England. [Kikuchi, M.; Koiso, H.; Ohmi, K.; Oide, K.] Natl Lab High Energy Phys, KEK, Tsukuba, Ibaraki 305, Japan. [Pauletta, G.] Univ Udine, I-33100 Udine, Italy. [Ruiz de Austri, R.] Inst Fis Corpuscular IFIC, Valencia, Spain. [Gouzevitch, M.] CNRS, IN2P3, Inst Phys Nucl Lyon, Villeurbanne, France. [Chattopadhyay, S.] Cockcroft Inst, Warrington, Cheshire, England. RP Bicer, M (reprint author), Ankara Univ, Fac Sci, TR-06100 Ankara, Turkey. EM TLEP3-steering-group@cern.ch RI Sguazzoni, Giacomo/J-4620-2015; Telnov, Valery/C-6900-2009; Gramolin, Alexander/C-1218-2011; Cakir, Rasit/P-9594-2015; Appleby, Robert/A-3224-2016; Azzi, Patrizia/H-5404-2012; Tinoco Mendes, Andre David/D-4314-2011; OI Sguazzoni, Giacomo/0000-0002-0791-3350; Telnov, Valery/0000-0002-8312-8119; Gramolin, Alexander/0000-0001-5436-7375; Cakir, Rasit/0000-0002-7104-9069; Azzi, Patrizia/0000-0002-3129-828X; Tinoco Mendes, Andre David/0000-0001-5854-7699; Han, Tao/0000-0002-5543-0716; Krauss, Frank/0000-0001-5043-3099; Ciulli, Vitaliano/0000-0003-1947-3396; Silvestrini, Luca/0000-0002-2253-4164; Boscolo, Manuela/0000-0002-1997-6041; Sanz, Veronica/0000-0001-8864-2507; Jowett, John M./0000-0002-9492-3775; grojean, christophe/0000-0002-7196-7361; Lenz, Alexander/0000-0003-3976-035X; Owen, Hywel/0000-0001-5028-2841 FU European Commission under the FP7 Research Infrastructures project EuCARD [227579]; PH department; European Commission under the FP7 Capacities project EuCARD-2 [312453]; Swiss National Foundation [200021-144133]; London Centre for Terauniverse Studies (LCTS); European Research Council via the Advanced Investigator Grant [267352] FX We are indebted to Andreas Hoecker for his help with the GFitter fitting program (http://cern.ch/gfitter), and for his patient explanations of the underlying physics. We would like to acknowledge the contributions of all participants in the design study and in the first five TLEP workshops. Writing this article was greatly eased by the use of the online collaborative editor, Authorea (https://www.authorea.com/), ceaselessly improved by the founders, Nathan Jenkins and Alberto Pepe. The support of the CERN Director for Accelerators and Technology and of the PH department, of the European Commission under the FP7 Research Infrastructures project EuCARD, grant agreement no. 227579 (http://cern.ch/eucard) and under the FP7 Capacities project EuCARD-2, grant agreement no. 312453 (http://cern.ch/eucard2), and of the Swiss National Foundation under the grant 200021-144133, are gratefully acknowledged. The work of J.E. was supported in part by the London Centre for Terauniverse Studies (LCTS), using funding from the European Research Council via the Advanced Investigator Grant 267352. NR 87 TC 142 Z9 142 U1 3 U2 41 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 JAN 29 PY 2014 IS 1 AR 164 DI 10.1007/JHEP01(2014)164 PG 49 WC Physics, Particles & Fields SC Physics GA AA3KW UT WOS:000330992300001 ER PT J AU Generous, N Margevicius, KJ Taylor-McCabe, KJ Brown, M Daniel, WB Castro, L Hengartner, A Deshpande, A AF Generous, Nicholas Margevicius, Kristen J. Taylor-McCabe, Kirsten J. Brown, Mac Daniel, W. Brent Castro, Lauren Hengartner, Andrea Deshpande, Alina TI Selecting Essential Information for Biosurveillance-A Multi-Criteria Decision Analysis SO PLOS ONE LA English DT Article ID PUBLIC-HEALTH AB The National Strategy for Biosurveillancedefines biosurveillance as "the process of gathering, integrating, interpreting, and communicating essential information related to all-hazards threats or disease activity affecting human, animal, or plant health to achieve early detection and warning, contribute to overall situational awareness of the health aspects of an incident, and to enable better decision-making at all levels." However, the strategy does not specify how "essential information" is to be identified and integrated into the current biosurveillance enterprise, or what the metrics qualify information as being "essential". Thequestion of data stream identification and selection requires a structured methodology that can systematically evaluate the tradeoffs between the many criteria that need to be taken in account. Multi-Attribute Utility Theory, a type of multi-criteria decision analysis, can provide a well-defined, structured approach that can offer solutions to this problem. While the use of Multi-Attribute Utility Theoryas a practical method to apply formal scientific decision theoretical approaches to complex, multi-criteria problems has been demonstrated in a variety of fields, this method has never been applied to decision support in biosurveillance. We have developed a formalized decision support analytic framework that can facilitate identification of "essential information" for use in biosurveillance systems or processes and we offer this framework to the global BSV community as a tool for optimizing the BSV enterprise. To demonstrate utility, we applied the framework to the problem of evaluating data streams for use in an integrated global infectious disease surveillance system. C1 [Generous, Nicholas; Margevicius, Kristen J.; Brown, Mac; Daniel, W. Brent; Castro, Lauren; Hengartner, Andrea; Deshpande, Alina] Los Alamos Natl Lab, Def Syst & Anal Div, Los Alamos, NM 87545 USA. [Taylor-McCabe, Kirsten J.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. RP Generous, N (reprint author), Los Alamos Natl Lab, Def Syst & Anal Div, Los Alamos, NM 87545 USA. EM generous@lanl.gov OI Generous, Nicholas/0000-0003-2238-428X; Margevicius, Kristen/0000-0002-4116-8307 FU Defense Threat Reduction Agency, Joint Science and Technology Office for Chemical and Biological Defense; U.S. Department of Energy [B114525l]; Los Alamos National Laboratory FX The Defense Threat Reduction Agency, Joint Science and Technology Office for Chemical and Biological Defense is acknowledged as the sponsor of this work, under a "work for others" arrangement, issued under the prime contract for research, development, test, and evaluation services between the U.S. Department of Energy and Los Alamos National Laboratory (#B114525l). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 26 TC 3 Z9 3 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 JAN 29 PY 2014 VL 9 IS 1 AR e86601 DI 10.1371/journal.pone.0086601 PG 15 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 301ZC UT WOS:000330570000049 PM 24489748 ER PT J AU Martins-Green, M Adhami, N Frankos, M Valdez, M Goodwin, B Lyubovitsky, J Dhall, S Garcia, M Egiebor, I Martinez, B Green, HW Havel, C Yu, L Liles, S Matt, G Destaillats, H Sleiman, M Gundel, LA Benowitz, N Jacob, P Hovell, M Winickoff, JP Curras-Collazo, M AF Martins-Green, Manuela Adhami, Neema Frankos, Michael Valdez, Mathew Goodwin, Benjamin Lyubovitsky, Julia Dhall, Sandeep Garcia, Monika Egiebor, Ivie Martinez, Bethanne Green, Harry W. Havel, Christopher Yu, Lisa Liles, Sandy Matt, Georg Destaillats, Hugo Sleiman, Mohammed Gundel, Laura A. Benowitz, Neal Jacob, Peyton, III Hovell, Melbourne Winickoff, Jonathan P. Curras-Collazo, Margarita TI Cigarette Smoke Toxins Deposited on Surfaces: Implications for Human Health SO PLOS ONE LA English DT Article ID ENVIRONMENTAL TOBACCO-SMOKE; SECONDHAND SMOKE; THIRDHAND-SMOKE; METABOLIC SYNDROME; 2ND-HAND SMOKE; US POPULATION; NITROUS-ACID; EXPOSURE; CHILDREN; DISEASE AB Cigarette smoking remains a significant health threat for smokers and nonsmokers alike. Secondhand smoke (SHS) is intrinsically more toxic than directly inhaled smoke. Recently, a new threat has been discovered - Thirdhand smoke (THS) the accumulation of SHS on surfaces that ages with time, becoming progressively more toxic. THS is a potential health threat to children, spouses of smokers and workers in environments where smoking is or has been allowed. The goal of this study is to investigate the effects of THS on liver, lung, skin healing, and behavior, using an animal model exposed to THS under conditions that mimic exposure of humans. THS-exposed mice show alterations in multiple organ systems and excrete levels of NNAL (a tobacco-specific carcinogen biomarker) similar to those found in children exposed to SHS (and consequently to THS). In liver, THS leads to increased lipid levels and non-alcoholic fatty liver disease, a precursor to cirrhosis and cancer and a potential contributor to cardiovascular disease. In lung, THS stimulates excess collagen production and high levels of inflammatory cytokines, suggesting propensity for fibrosis with implications for inflammation-induced diseases such as chronic obstructive pulmonary disease and asthma. In wounded skin, healing in THS-exposed mice has many characteristics of the poor healing of surgical incisions observed in human smokers. Lastly, behavioral tests show that THS-exposed mice become hyperactive. The latter data, combined with emerging associated behavioral problems in children exposed to SHS/THS, suggest that, with prolonged exposure, they may be at significant risk for developing more severe neurological disorders. These results provide a basis for studies on the toxic effects of THS in humans and inform potential regulatory policies to prevent involuntary exposure to THS. C1 [Martins-Green, Manuela; Adhami, Neema; Frankos, Michael; Valdez, Mathew; Goodwin, Benjamin; Dhall, Sandeep; Garcia, Monika; Egiebor, Ivie; Martinez, Bethanne; Curras-Collazo, Margarita] Univ Calif Riverside, Dept Cell Biol & Neurosci, Riverside, CA 92521 USA. [Lyubovitsky, Julia] Univ Calif Riverside, Dept Bioengn, Riverside, CA 92521 USA. [Green, Harry W.] Univ Calif Riverside, Grad Div, Riverside, CA 92521 USA. [Havel, Christopher; Yu, Lisa; Benowitz, Neal; Jacob, Peyton, III] Univ Calif San Francisco, Div Clin Pharmacol, San Francisco, CA 94143 USA. [Liles, Sandy; Hovell, Melbourne] San Diego State Univ, Ctr Behav Epidemiol & Community Hlth, Sch Publ Hlth, San Diego, CA 92182 USA. [Matt, Georg] San Diego State Univ, Dept Psychol, San Diego, CA 92182 USA. [Destaillats, Hugo; Sleiman, Mohammed; Gundel, Laura A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Indoor Environm Grp, Berkeley, CA 94720 USA. [Winickoff, Jonathan P.] Harvard Univ, Sch Med, MGH Ctr Child & Adolescent Hlth Res & Policy, Boston, MA USA. RP Martins-Green, M (reprint author), Univ Calif Riverside, Dept Cell Biol & Neurosci, Riverside, CA 92521 USA. EM manuela.martins@ucr.edu FU Tobacco Research Disease Related Program (TRDRP) [19XT-0166]; American Physiological Society; University of California Institute for Mexico; United States/Consejo Nacional de Ciencia y Tecnologia; California Consortium on Third Hand Smoke, TRDRP [20PT-0184]; National Institutes of Health [S10 RR026437, P30 DA012393]; Maternal & Child Health Bureau [R4O MC 00185] FX This work was funded by Tobacco Research Disease Related Program (TRDRP) grant #19XT-0166 to MM-G, a Porter Fellowship from the American Physiological Society to MV and a The University of California Institute for Mexico and the United States/Consejo Nacional de Ciencia y Tecnologia grant to MC-C. The Analytical Chemistry work done at the University of California, San Francisco, was supported by the California Consortium on Third Hand Smoke, TRDRP 20PT-0184, and the National Institutes of Health, grants #S10 RR026437 and #P30 DA012393. Child NNAL assays were supported by a grant from Maternal & Child Health Bureau #R4O MC 00185 to MH. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 51 TC 31 Z9 34 U1 4 U2 28 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 JAN 29 PY 2014 VL 9 IS 1 AR e86391 DI 10.1371/journal.pone.0086391 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 301ZC UT WOS:000330570000037 PM 24489722 ER PT J AU Schwarzberg, K Le, R Bharti, B Lindsay, S Casaburi, G Salvatore, F Saber, MH Alonaizan, F Slots, J Gottlieb, RA Caporaso, JG Kelley, ST AF Schwarzberg, Karen Le, Rosalin Bharti, Balambal Lindsay, Suzanne Casaburi, Giorgio Salvatore, Francesco Saber, Mohamed H. Alonaizan, Faisal Slots, Jorgen Gottlieb, Roberta A. Caporaso, J. Gregory Kelley, Scott T. TI The Personal Human Oral Microbiome Obscures the Effects of Treatment on Periodontal Disease SO PLOS ONE LA English DT Article ID SEQUENCES; DIVERSITY; BACTERIA; TAXONOMY; THERAPY AB Periodontitis is a progressive disease of the periodontium with a complex, polymicrobial etiology. Recent Next-Generation Sequencing (NGS) studies of the microbial diversity associated with periodontitis have revealed strong, community-level differences in bacterial assemblages associated with healthy or diseased periodontal sites. In this study, we used NGS approaches to characterize changes in periodontal pocket bacterial diversity after standard periodontal treatment. Despite consistent changes in the abundance of certain taxa in individuals whose condition improved with treatment, post-treatment samples retained the highest similarity to pre-treatment samples from the same individual. Deeper phylogenetic analysis of periodontal pathogen-containing genera Prevotella and Fusobacterium found both unexpected diversity and differential treatment response among species. Our results highlight how understanding interpersonal variability among microbiomes is necessary for determining how polymicrobial diseases respond to treatment and disturbance. C1 [Schwarzberg, Karen; Le, Rosalin; Kelley, Scott T.] San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. [Bharti, Balambal; Lindsay, Suzanne] San Diego State Univ, Grad Sch Publ Hlth, San Diego, CA 92182 USA. [Casaburi, Giorgio; Salvatore, Francesco] CEINGE Biotecnol Avanzate, Naples, Italy. [Casaburi, Giorgio; Salvatore, Francesco] Univ Naples Federico II, Dipartimento Med Mol & Biotecnol Med, Naples, Italy. [Saber, Mohamed H.; Alonaizan, Faisal] USC, Sect Endodont, Herman Ostrow Sch Dent, Los Angeles, CA USA. [Slots, Jorgen] USC, Herman Ostrow Sch Dent, Los Angeles, CA USA. [Gottlieb, Roberta A.] San Diego State Univ, BioSci Ctr, San Diego, CA 92182 USA. [Caporaso, J. Gregory] No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA. [Caporaso, J. Gregory] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. RP Kelley, ST (reprint author), San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. EM skelley@mail.sdsu.edu OI Gottlieb, Roberta/0000-0002-1432-006X FU NIH [U26IHS300292]; Native American Research Centers for Health [NARCH5] FX This work received financial support from the following sources: NIH Grant U26IHS300292 (PI: Calac; Project Leader: Gottlieb); "Native American Research Centers for Health (NARCH5): Periodontal Disease, Atherosclerosis, and the Oral Microbiome". The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 27 TC 22 Z9 22 U1 3 U2 29 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 JAN 29 PY 2014 VL 9 IS 1 AR e86708 DI 10.1371/journal.pone.0086708 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 301ZC UT WOS:000330570000062 PM 24489772 ER PT J AU Katsaras, J AF Katsaras, John TI Determining the In-Plane and Out-of-Plane Structure of Model Membranes; Two Recent Examples SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Katsaras, John] Oak Ridge Natl Lab, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 1 U2 3 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 3A EP 3A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400015 ER PT J AU Ajo-Franklin, CM AF Ajo-Franklin, Caroline M. TI Engineering Electron Nanoconduits to Electronically Interface Cells with Materials SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Ajo-Franklin, Caroline M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 1 U2 5 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 6A EP 6A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400031 ER PT J AU Klosowiak, J Focia, P Chakravarthy, S Landahl, E Freymann, D Rice, S AF Klosowiak, Julian Focia, Pamela Chakravarthy, Srinivas Landahl, Eric Freymann, Douglas Rice, Sarah TI Structural Coupling of the EF Hand and C-Terminal GTPase Domains in the Mitochondrial Protein Miro SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Klosowiak, Julian; Focia, Pamela; Freymann, Douglas; Rice, Sarah] Northwestern Univ, Chicago, IL 60611 USA. [Chakravarthy, Srinivas] Argonne Natl Labs, Argonne, IL USA. [Landahl, Eric] Depaul Univ, Chicago, IL 60604 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 28A EP 28A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400139 ER PT J AU Cate, JHD AF Cate, Jamie H. D. TI Structures of the Universal Translator, the Ribosome SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Cate, Jamie H. D.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Cate, Jamie H. D.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Cate, Jamie H. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 34A EP 34A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400174 ER PT J AU Terwilliger, TC DiMaio, F Read, RJ Baker, D Brunger, AT Adams, PD Afonine, PV Hung, LW AF Terwilliger, Thomas C. DiMaio, Frank Read, Randy J. Baker, David Brunger, Axel T. Adams, Paul D. Afonine, Pavel V. Hung, Li-Wei TI Combining Crystallographic and Structure-Modeling Approaches in Macromolecular Crystallography SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Terwilliger, Thomas C.; Hung, Li-Wei] Los Alamos Natl Lab, Los Alamos, NM USA. [DiMaio, Frank; Baker, David] Univ Washington, Seattle, WA 98195 USA. [Read, Randy J.] Camridge Inst Med Res, Cambridge, England. [Brunger, Axel T.] Stanford Univ, Stanford, CA 94305 USA. [Adams, Paul D.; Afonine, Pavel V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RI Read, Randy/L-1418-2013; Adams, Paul/A-1977-2013; OI Read, Randy/0000-0001-8273-0047; Adams, Paul/0000-0001-9333-8219; Terwilliger, Thomas/0000-0001-6384-0320 NR 0 TC 0 Z9 0 U1 0 U2 8 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 34A EP 34A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400173 ER PT J AU Kirmizialtin, S Sanbonmatsu, KY AF Kirmizialtin, Serdal Sanbonmatsu, Karissa Y. TI Molecular Dynamics Simulations of Ribosomes: Integrating Theory and Experiment SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Kirmizialtin, Serdal; Sanbonmatsu, Karissa Y.] New Mexico Consortium, Los Alamos, NM USA. [Sanbonmatsu, Karissa Y.] Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 39A EP 39A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400195 ER PT J AU Marquardt, D Williams, JA Kinnun, JJ Kucerka, N Atkinson, J Wassall, SR Katsaras, J Harroun, TA AF Marquardt, Drew Williams, Justin A. Kinnun, Jacob J. Kucerka, Norbert Atkinson, Jeffrey Wassall, Stephen R. Katsaras, John Harroun, Thad A. TI DMPC: A Remarkable Exception to the Tocopherol's Membrane Presence SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Marquardt, Drew; Atkinson, Jeffrey; Harroun, Thad A.] Brock Univ, St Catharines, ON L2S 3A1, Canada. [Williams, Justin A.; Kinnun, Jacob J.; Wassall, Stephen R.] IUPUI, Indianapolis, IN USA. [Kucerka, Norbert] Canadian Neutron Beam Ctr, Chalk River, ON, Canada. [Katsaras, John] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Katsaras, John] Univ Tennesse, Knoxville, TN USA. NR 0 TC 1 Z9 1 U1 0 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 41A EP 41A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400209 ER PT J AU Feld, GK AF Feld, Geoffrey K. TI Structure and Function of Two Putative Virulence Factors from Francisella Tularensis SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Feld, Geoffrey K.] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 45A EP 45A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400229 ER PT J AU Rames, MJ Zhang, L Zhang, X Ren, G AF Rames, Matthew J. Zhang, Lei Zhang, Xing Ren, Gary TI Determination of the Dynamic Structures of Nacent Discoidal High-Density Lipoprotein (HDL) Bound to Lecithin Cholesterol Acyltransferase (LCAT) and Paraoxonase 1 (PON1) SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Rames, Matthew J.; Zhang, Lei; Zhang, Xing; Ren, Gary] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RI Zhang, Lei/G-6427-2012 OI Zhang, Lei/0000-0002-4880-824X NR 0 TC 0 Z9 0 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 46A EP 46A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400238 ER PT J AU Carpenter, TS Lau, EY Kirshner, DA Lightstone, FC AF Carpenter, Timothy S. Lau, Edmond Y. Kirshner, Daniel A. Lightstone, Felice C. TI Prediction of Blood-Brain Barrier Permeability from Molecular Dynamics Simulations SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Carpenter, Timothy S.; Lau, Edmond Y.; Kirshner, Daniel A.; Lightstone, Felice C.] Lawrence Livermore Natl Lab, BBTD, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 2 U2 4 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 83A EP 83A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400426 ER PT J AU Henderson, JM Burck, J Lehrer, R Waring, AJ Majewski, J Ulrich, AS Lee, KYC AF Henderson, J. Michael Burck, Jochen Lehrer, Robert Waring, Alan J. Majewski, Jaroslaw Ulrich, Anne S. Lee, Ka Yee C. TI Cholesterol Incorporation in Membranes Attenuates the Disruption Ability of Antimicrobial Peptide Protegrin-1 SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Henderson, J. Michael; Lee, Ka Yee C.] Univ Chicago, Chicago, IL 60637 USA. [Burck, Jochen; Ulrich, Anne S.] Karlsruhe Inst Technol, D-76021 Karlsruhe, Germany. [Lehrer, Robert; Waring, Alan J.] Univ Calif Los Angeles, Los Angeles, CA USA. [Waring, Alan J.] Univ Calif Irvine, Irvine, CA USA. [Majewski, Jaroslaw] Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 1 U2 6 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 85A EP 85A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400436 ER PT J AU Eum, KS Fletcher-Taylor, S Austin, D Cohen, BE Sack, JT AF Eum, Kenneth S. Fletcher-Taylor, Sebastian Austin, Daniel Cohen, Bruce E. Sack, Jon T. TI Tethering Dimers of Voltage Sensor Toxins can Selectively Amplify their Affinity for Kv Channels SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Eum, Kenneth S.; Fletcher-Taylor, Sebastian; Austin, Daniel; Sack, Jon T.] Univ Calif Davis, Davis, CA USA. [Eum, Kenneth S.; Cohen, Bruce E.; Sack, Jon T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 89A EP 90A PG 2 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400460 ER PT J AU Leng, XL Williams, JA Marquardt, D Kucerka, N Katsaras, J Atkinson, J Harroun, TA Feller, S Wassall, SR AF Leng, Xiaoling Williams, Justin A. Marquardt, Drew Kucerka, Norbert Katsaras, John Atkinson, Jeffrey Harroun, Thad A. Feller, Scott Wassall, Stephen R. TI MD Simulations on Alpha-Tocopherol in PUFA Containing Lipid SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Leng, Xiaoling; Williams, Justin A.; Wassall, Stephen R.] IUPUI, Indianapolis, IN USA. [Marquardt, Drew; Atkinson, Jeffrey; Harroun, Thad A.] Brock Univ, St Catharines, ON L2S 3A1, Canada. [Kucerka, Norbert] CNR, Chalk River, ON, Canada. [Katsaras, John] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Katsaras, John] Joint Inst Neutron Sci, Oak Ridge, ON, Canada. [Feller, Scott] Wabash Coll, Crawfordsville, IN 47933 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 94A EP 94A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000400484 ER PT J AU DeVore, MS Keller, AM Cleyrat, C Phipps, ME Wilson, BS Werner, JH AF DeVore, Matthew S. Keller, Aaron M. Cleyrat, Cedric Phipps, Mary E. Wilson, Bridget S. Werner, James H. TI Simultaneous Confocal based 3D Tracking and Fluorescence Imaging SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [DeVore, Matthew S.; Keller, Aaron M.; Phipps, Mary E.; Werner, James H.] Los Alamos Natl Lab, MPA CINT, Los Alamos, NM USA. [Cleyrat, Cedric; Wilson, Bridget S.] Univ New Mexico, Dept Pathol, Hlth Sci Ctr, Albuquerque, NM 87131 USA. RI Cleyrat, Cedric/F-1824-2016 OI Cleyrat, Cedric/0000-0002-1928-6497 NR 0 TC 0 Z9 0 U1 0 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 194A EP 194A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401094 ER PT J AU Dong, B Yang, XC Zhu, SB Bassham, D Fang, N AF Dong, Bin Yang, Xiaocheng Zhu, Shaobin Bassham, Diane Fang, Ning TI Super-Resolution Imaging in Plant Cells SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Dong, Bin; Yang, Xiaocheng; Zhu, Shaobin; Bassham, Diane; Fang, Ning] Iowa State Univ, Ames, IA USA. [Dong, Bin; Zhu, Shaobin; Fang, Ning] Ames Lab, Ames, IA USA. NR 0 TC 0 Z9 0 U1 1 U2 3 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 200A EP 200A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401124 ER PT J AU Guo, SR Davenport, M Meshot, E Buchsbaum, S Siwy, Z Fornasiero, F AF Guo, Shirui Davenport, Matthew Meshot, Eric Buchsbaum, Steven Siwy, Zuzanna Fornasiero, Francesco TI A Simple, Single-Carbon-Nanotube Nanofludic Platform for Fundamental Transport Studies SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Guo, Shirui; Davenport, Matthew; Meshot, Eric; Fornasiero, Francesco] Lawrence Livermore Natl Lab, Livermore, CA USA. [Buchsbaum, Steven; Siwy, Zuzanna] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA USA. RI Guo, Shirui (Michael)/B-8693-2011; Fornasiero, Francesco/I-3802-2012 OI Guo, Shirui (Michael)/0000-0001-8991-982X; NR 0 TC 0 Z9 0 U1 0 U2 6 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 212A EP 212A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401187 ER PT J AU Kim, K Geng, J Tunuguntla, R Ajo-Franklin, C Grigoropoulos, CP Noy, A AF Kim, Kyunghoon Geng, Jia Tunuguntla, Ramya Ajo-Franklin, Caroline Grigoropoulos, Costas P. Noy, Aleksandr TI Osmotically-Driven Transport through Carbon Nanotube Pores SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Kim, Kyunghoon; Tunuguntla, Ramya; Grigoropoulos, Costas P.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Kim, Kyunghoon; Geng, Jia; Ajo-Franklin, Caroline] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Geng, Jia; Ajo-Franklin, Caroline; Noy, Aleksandr] Univ Calif, Sch Nat Sci, Merced, CA USA. [Tunuguntla, Ramya; Noy, Aleksandr] Lawrence Livermore Natl Lab, Biol & Biotechnol Div, Phys & Life Sci Directorate, Livermore, CA USA. [Ajo-Franklin, Caroline] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 7 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 213A EP 214A PG 2 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401194 ER PT J AU Menestrina, J Yang, C Vlassiouk, IV Siwy, Z AF Menestrina, Justin Yang, Crystal Vlassiouk, Ivan V. Siwy, Zuzanna TI Electrophoresis and Electroomosis Influence Local Ionic Concentrations and Shape of Ion Current Pulses in Resistive-Pulse Based Detection SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Menestrina, Justin; Yang, Crystal; Siwy, Zuzanna] UC Irvine, Irvine, CA USA. [Vlassiouk, Ivan V.] Oak Ridge Natl Lab, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 215A EP 216A PG 2 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401204 ER PT J AU Keller, AM Ghosh, Y Phipps, ME Stewart, MH Lidke, DS Wilson, BS Hollingsworth, JA Werner, JH AF Keller, Aaron M. Ghosh, Yagnaseni Phipps, Mary E. Stewart, Michael H. Lidke, Diane S. Wilson, Bridget S. Hollingsworth, Jennifer A. Werner, James H. TI 3 Dimensional Tracking of Blinking Suppressed Quantum Dots in Live Cells SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Keller, Aaron M.; Phipps, Mary E.; Hollingsworth, Jennifer A.; Werner, James H.] Los Alamos Natl Lab, Los Alamos, NM USA. [Ghosh, Yagnaseni] Pacific Light Technol, Portland, OR USA. [Stewart, Michael H.] US Naval Res Lab, Washington, DC USA. [Lidke, Diane S.; Wilson, Bridget S.] Univ New Mexico, Hlth Sci Ctr, Albuquerque, NM 87131 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 216A EP 216A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401208 ER PT J AU Seo, D Kim, J Farlow, J Lee, H Alivisatos, P Cheon, J Gartner, Z Jun, YW AF Seo, Daeha Kim, Jiwook Farlow, Justin Lee, Hyunjung Alivisatos, Paul Cheon, Jinwoo Gartner, Zev Jun, Young-Wook TI Regulating Spatiotemporal Dynamics of Notch Signaling in Live Cells via Magnetoplasmonic Nanoprobes SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Seo, Daeha; Farlow, Justin; Lee, Hyunjung; Gartner, Zev; Jun, Young-Wook] Univ Calif San Francisco, San Francisco, CA 94143 USA. [Seo, Daeha; Alivisatos, Paul] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Kim, Jiwook; Cheon, Jinwoo] Yonsei Univ, Seoul 120749, South Korea. [Alivisatos, Paul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 3 U2 7 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 224A EP 224A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401250 ER PT J AU Bachand, GD Bouxsein, NF Carroll-Portillo, A Bachand, M Sasaki, DY AF Bachand, George D. Bouxsein, Nathan F. Carroll-Portillo, Amanda Bachand, Marlene Sasaki, Darryl Y. TI Motor-Driven Assembly of Dynamic, Self-Healing Lipid Nanotube Networks SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Bachand, George D.; Bouxsein, Nathan F.; Carroll-Portillo, Amanda; Bachand, Marlene; Sasaki, Darryl Y.] Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 1 U2 5 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 225A EP 226A PG 2 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401256 ER PT J AU Khodadadi, S Zhang, HL Sokolov, AP Curtis, JE AF Khodadadi, Sheila Zhang, Hailiang Sokolov, Alexei P. Curtis, Joseph E. TI The Role of Water in Dynamics of Biomacromolecules: A Mutual Inter-play! SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Khodadadi, Sheila] Delft Univ Technol, Delft, Netherlands. [Zhang, Hailiang; Curtis, Joseph E.] NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Zhang, Hailiang] Univ Maryland, Inst Res & Appl Phys, College Pk, MD 20742 USA. [Sokolov, Alexei P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. [Sokolov, Alexei P.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. NR 0 TC 0 Z9 0 U1 1 U2 4 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 227A EP 227A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401262 ER PT J AU Li, HL AF Li, Huilin TI One ORC with Many Faces SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Li, Huilin] Brookhaven Natl Lab, Upton, NY 11973 USA. [Li, Huilin] SUNY Stony Brook, Stony Brook, NY 11794 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 230A EP 230A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401280 ER PT J AU Tsutakawa, S Arvai, A Sarker, A Querol-Audi, J Finger, D Nogales, E Ivanov, I Cooper, P Grasby, J Tainer, J AF Tsutakawa, Susan Arvai, Andrew Sarker, Altaf Querol-Audi, Jordi Finger, David Nogales, Eva Ivanov, Ivaylo Cooper, Priscilla Grasby, Jane Tainer, John TI Defining the Superfamily Conserved Mechanism for Flap Endonucleases FEN1 and XPG Specificity for 5' Flap DNA and DNA Bubbles, Respectively, by Hybrids Methods of Crystallography, SAXS, EM, and Computation SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Tsutakawa, Susan; Sarker, Altaf; Nogales, Eva; Cooper, Priscilla; Tainer, John] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Arvai, Andrew] Scripps Res Inst, La Jolla, CA 92037 USA. [Querol-Audi, Jordi] Univ Calif Berkeley, Berkeley, CA USA. [Finger, David; Grasby, Jane] Univ Sheffield, Sheffield, S Yorkshire, England. [Ivanov, Ivaylo] Georgia State, Atlanta, GA USA. NR 0 TC 0 Z9 0 U1 2 U2 4 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 230A EP 230A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401276 ER PT J AU Mony, L Berger, TK Isacoff, EY AF Mony, Laetitia Berger, Thomas K. Isacoff, Ehud Y. TI The Specialized Role of the S1 Transmembrane Segment in the Gating of the Hv1 Proton Channel SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Mony, Laetitia; Berger, Thomas K.; Isacoff, Ehud Y.] Univ Calif Berkeley, Mol & Cell Biol & Helen Wills Neurosci Inst, Berkeley, CA USA. [Berger, Thomas K.] Forschungszentrum Caesar, Bonn, Germany. [Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RI Mony, Laetitia/F-3790-2017 OI Mony, Laetitia/0000-0001-7753-6231 NR 0 TC 0 Z9 0 U1 1 U2 4 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 233A EP 233A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401294 ER PT J AU Chu, XQ Shrestha, U O'Neill, HM Zhang, Q Kolesnikov, AI Mamontov, E AF Chu, Xiang-qiang Shrestha, Utsab O'Neill, Hugh Michael Zhang, Qiu Kolesnikov, Alexander I. Mamontov, Eugene TI Investigation of Phonon-Like Excitations in Hydrated Protein Powders by Neutron Scattering SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Chu, Xiang-qiang; Shrestha, Utsab] Wayne State Univ, Detroit, MI USA. [O'Neill, Hugh Michael; Zhang, Qiu] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. [Kolesnikov, Alexander I.; Mamontov, Eugene] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN USA. RI Kolesnikov, Alexander/I-9015-2012; Mamontov, Eugene/Q-1003-2015 OI Kolesnikov, Alexander/0000-0003-1940-4649; Mamontov, Eugene/0000-0002-5684-2675 NR 4 TC 1 Z9 1 U1 0 U2 4 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 236A EP 236A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401310 ER PT J AU Tunuguntla, R Kim, K Bangar, M Ajo-Franklin, C Stroeve, P Noy, A AF Tunuguntla, Ramya Kim, Kyunghoon Bangar, Mangesh Ajo-Franklin, Caroline Stroeve, Pieter Noy, Aleksandr TI Light-Powered Bionanoelectronic Devices with Biologically-Tunable Performance Characteristics SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Tunuguntla, Ramya; Stroeve, Pieter] Univ Calif Davis, Davis, CA USA. [Kim, Kyunghoon] Univ Calif Berkeley, Berkeley, CA USA. [Bangar, Mangesh; Ajo-Franklin, Caroline] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Noy, Aleksandr] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 244A EP 244A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401354 ER PT J AU Liu, QL Qi, RF Sarbeng, E Liu, Q Le, K Xu, XP Xu, HY Yang, J Wong, J Vorvis, C Hendrickson, W Zhou, L AF Liu, Qinglian Qi, Ruifeng Sarbeng, Evans Liu, Qun Le, Katherine Xu, Xinping Xu, Hongya Yang, Jiao Wong, Jennifer Vorvis, Christina Hendrickson, Wayne Zhou, Lei TI Allosteric Opening of the Polypeptide-Binding Site When an Hsp70 Binds ATP SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Liu, Qinglian; Qi, Ruifeng; Sarbeng, Evans; Le, Katherine; Xu, Xinping; Xu, Hongya; Yang, Jiao; Wong, Jennifer; Vorvis, Christina; Zhou, Lei] Virginia Commonwealth Univ, Richmond, VA USA. [Liu, Qun] Brookhaven Natl Lab, Upton, NY 11973 USA. [Hendrickson, Wayne] Columbia Univ, New York, NY USA. RI Qi, Ruifeng/N-9415-2015 OI Qi, Ruifeng/0000-0003-2369-8686 NR 0 TC 0 Z9 0 U1 3 U2 8 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 247A EP 247A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401366 ER PT J AU Zhang, X Zhang, L Rames, MJ Ren, G AF Zhang, Xing Zhang, Lei Rames, Matthew J. Ren, Gang TI Determination of the Dynamic Structures of Igg Antibody by Individual-Particle Electron Tomography SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Zhang, Xing; Zhang, Lei; Rames, Matthew J.; Ren, Gang] LBNL, Dept Mat Sci, Berkeley, CA USA. RI Zhang, Lei/G-6427-2012 OI Zhang, Lei/0000-0002-4880-824X NR 0 TC 0 Z9 0 U1 1 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 251A EP 251A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401389 ER PT J AU Phillips, AH Schoeffler, AJ Matsui, T Weiss, T Dueber, EC Fairbrother, WJ AF Phillips, Aaron H. Schoeffler, Allyn J. Matsui, Tsutomu Weiss, Thomas Dueber, Erin C. Fairbrother, Wayne J. TI Internal Motions Prime cIAP1 for Rapid Activation SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Phillips, Aaron H.; Schoeffler, Allyn J.; Dueber, Erin C.; Fairbrother, Wayne J.] Genentech Inc, Early Discovery Biochem, San Francisco, CA 94080 USA. [Matsui, Tsutomu; Weiss, Thomas] SSRL, Menlo Pk, CA USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 253A EP 253A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401400 ER PT J AU Parkin, J Carpenter, T Khalid, S AF Parkin, Jamie Carpenter, Tim Khalid, Syma TI Probing the Outer Membrane of Pseudomonas Aeruginosa using Molecular Dynamics Simulations SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Parkin, Jamie; Khalid, Syma] Univ Southampton, Southampton, Hants, England. [Carpenter, Tim] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 1 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 255A EP 255A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401407 ER PT J AU Perticaroli, S Nickels, JD Ehlers, G Mamontov, E Sokolov, AP AF Perticaroli, Stefania Nickels, Jonathan D. Ehlers, Georg Mamontov, Eugene Sokolov, Alexei P. TI Suppression of Picosecond Dynamics in beta-Casein upon Calcium Binding SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Perticaroli, Stefania; Nickels, Jonathan D.; Ehlers, Georg; Mamontov, Eugene; Sokolov, Alexei P.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Perticaroli, Stefania; Nickels, Jonathan D.; Sokolov, Alexei P.] Univ Tennessee, Knoxville, TN USA. RI Mamontov, Eugene/Q-1003-2015; Nickels, Jonathan/I-1913-2012 OI Mamontov, Eugene/0000-0002-5684-2675; Nickels, Jonathan/0000-0001-8351-7846 NR 2 TC 0 Z9 0 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 260A EP 260A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401435 ER PT J AU Heberle, FA Petruzielo, RS Pan, JJ Drazba, P Kucerka, N Standaert, RF Feigenson, GW Katsaras, J AF Heberle, Frederick A. Petruzielo, Robin S. Pan, Jianjun Drazba, Paul Kucerka, Norbert Standaert, Robert F. Feigenson, Gerald W. Katsaras, John TI Bilayer Thickness Mismatch Controls Domain Size in Model Membranes SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Heberle, Frederick A.; Standaert, Robert F.; Katsaras, John] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Petruzielo, Robin S.; Feigenson, Gerald W.] Cornell Univ, Ithaca, NY USA. [Pan, Jianjun] Univ S Florida, Tampa, FL USA. [Drazba, Paul; Standaert, Robert F.; Katsaras, John] Univ Tennessee, Knoxville, TN USA. [Kucerka, Norbert] Canadian Neutron Beam Ctr, Chalk River, ON, Canada. RI Standaert, Robert/D-9467-2013 OI Standaert, Robert/0000-0002-5684-1322 NR 0 TC 0 Z9 0 U1 0 U2 8 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 288A EP 288A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401583 ER PT J AU Qian, S Heller, WT AF Qian, Shuo Heller, William T. TI Redistribution of Cholesterol in Model Lipid Membranes in Response to Alamethicin SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Qian, Shuo; Heller, William T.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. NR 0 TC 1 Z9 1 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 294A EP 294A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401614 ER PT J AU Palacio, LA Stanley, CB Seifert, S Petrache, HI AF Palacio, Luis A. Stanley, Christopher B. Seifert, Soenke Petrache, Horia I. TI Small Angle Scattering of Fibrinogen Polymerization Kinetics and of Alpha1 Antitrypsin Interactions with Lipid Membranes SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Palacio, Luis A.; Petrache, Horia I.] Indiana Univ Purdue Univ, Indianapolis, IN 46202 USA. [Stanley, Christopher B.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. [Seifert, Soenke] Argonne Natl Lab, Chem & Mat Sci Xray Sci Div, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 301A EP 301A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401652 ER PT J AU Rai, D Anunciado, D O'Neill, H Urban, V Heller, W Qian, S AF Rai, Durgesh Anunciado, Divina O'Neill, Hugh Urban, Volker Heller, William Qian, Shuo TI Interplay Between Amyloid Beta- Peptide and Cholesterol in Bilayer SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Rai, Durgesh; Anunciado, Divina; O'Neill, Hugh; Urban, Volker; Heller, William; Qian, Shuo] Oak Ridge Natl Lab, Oak Ridge, TN USA. RI Urban, Volker/N-5361-2015 OI Urban, Volker/0000-0002-7962-3408 NR 0 TC 0 Z9 0 U1 1 U2 4 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 301A EP 301A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401650 ER PT J AU Witayavanitkul, N Sarkey, J Aitmou, Y Kuster, DWD Khairallah, RJ Govindan, S Chen, X Ge, Y Rajan, S Wieczorek, DF Irving, T de Tombe, PP Sadayappan, S AF Witayavanitkul, Namthip Sarkey, Jason Aitmou, Younss Kuster, Diederik W. D. Khairallah, Ramzi J. Govindan, Suresh Chen, Xin Ge, Ying Rajan, Sudarsan Wieczorek, David F. Irving, Thomas de Tombe, Pieter P. Sadayappan, Sakthivel TI Myocardial Infarction-Induced N-Terminal Fragment of Cmybp-C Impairs Myofilament Function in Human Left Ventricular Myofibrils SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc DE Cross-bridge cycling kinetics; length-dependent activation; cMyBP-C; C0C1f protein C1 [Witayavanitkul, Namthip; Sarkey, Jason; Aitmou, Younss; Kuster, Diederik W. D.; Khairallah, Ramzi J.; Govindan, Suresh; de Tombe, Pieter P.; Sadayappan, Sakthivel] Loyola Univ Chicago, Div Hlth Sci, Dept Cell & Mol Physiol, Maywood, IL USA. [Chen, Xin; Ge, Ying] Univ Wisconsin, Sch Med & Publ Hlth, Human Prote Program, Madison, WI USA. [Rajan, Sudarsan; Wieczorek, David F.] Univ Cincinnati, Coll Med, Dept Mol Genet Biochem & Microbiol, Cincinnati, OH USA. [Irving, Thomas] Argonne Natl Lab, Lemont, IL USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 347A EP 347A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000401867 ER PT J AU VanDelinder, V Bachand, GD AF VanDelinder, Virginia Bachand, George D. TI Monitoring Real-Time Microtubule Spool Formation in a PDMS Microfluidic Device SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [VanDelinder, Virginia; Bachand, George D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 2 U2 5 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 351A EP 352A PG 2 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402010 ER PT J AU Ounjai, P Downing, KH AF Ounjai, Puey Downing, Kenneth H. TI FMG1-B as a Eukaryotic S-Layer SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Ounjai, Puey; Downing, Kenneth H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Ounjai, Puey] Mahidol Univ, Fac Sci, Bangkok 10400, Thailand. NR 0 TC 0 Z9 0 U1 1 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 359A EP 359A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402047 ER PT J AU Perillo, E Mary, PE Martinez, JS Werner, JH Shepherd, D AF Perillo, Evan Mary, Phipps E. Martinez, Jennifer S. Werner, James H. Shepherd, Douglas TI Correlating Rat Basophil Leukemia Cell Activation with Interleukin 4 RNA Production using Single Molecule Fluorescence In-Situ Hybridization, Automated Super-Resolution Microscopy, and GPU-Enabled Image Analysis SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Perillo, Evan] Univ Texas Austin, Austin, TX 78712 USA. [Mary, Phipps E.; Martinez, Jennifer S.; Werner, James H.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM USA. [Shepherd, Douglas] Univ Colorado Denver, Dept Phys, Denver, CO USA. NR 0 TC 0 Z9 0 U1 2 U2 5 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 374A EP 374A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402123 ER PT J AU Dar, R Bolovan-Fritts, C Teng, M Linhares, B Simpson, M Weinberger, LS AF Dar, Roy Bolovan-Fritts, Cynthia Teng, Melissa Linhares, Brian Simpson, Michael Weinberger, Leor S. TI Structure and Function of a Transcriptional 'Accelerator' Circuit SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Dar, Roy; Bolovan-Fritts, Cynthia; Teng, Melissa; Linhares, Brian; Weinberger, Leor S.] UCSF, Gladstone Inst, San Francisco, CA USA. [Simpson, Michael] Oak Ridge Natl Lab, Oak Ridge, CA USA. RI Simpson, Michael/A-8410-2011 OI Simpson, Michael/0000-0002-3933-3457 NR 0 TC 0 Z9 0 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 375A EP 375A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402127 ER PT J AU Wall, ME Terwilliger, TC Fraser, JS Adams, PD Sauter, NK VanBenschoten, A AF Wall, Michael E. Terwilliger, Thomas C. Fraser, James S. Adams, Paul D. Sauter, Nicholas K. VanBenschoten, Andrew TI Diffuse X-Ray Scattering for Ensemble Modeling of Crystalline Proteins SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Wall, Michael E.; Terwilliger, Thomas C.] Los Alamos Natl Lab, Los Alamos, NM USA. [Fraser, James S.; VanBenschoten, Andrew] Univ Calif San Francisco, San Francisco, CA 94143 USA. [Adams, Paul D.; Sauter, Nicholas K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RI Adams, Paul/A-1977-2013 OI Adams, Paul/0000-0001-9333-8219 NR 1 TC 0 Z9 0 U1 0 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 384A EP 384A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402173 ER PT J AU Yang, L Schneider, DK Fuches, MR Berman, LE AF Yang, Lin Schneider, Dieter K. Fuches, Martin R. Berman, Lonny E. TI Current Status of ABBIX Beamlines Developed for X-Ray Scattering and Macromolecular Crystallography at NSLS-II SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Yang, Lin; Schneider, Dieter K.; Fuches, Martin R.; Berman, Lonny E.] Brookhaven Natl Lab, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 2 U2 3 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 384A EP 384A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402176 ER PT J AU Werner, J Shepherd, D Li, N Micheva-Viteva, S Munsky, B Hong-Geller, E AF Werner, James Shepherd, Douglas Li, Nan Micheva-Viteva, Sofiya Munsky, Brian Hong-Geller, Elizabeth TI Counting Small RNA in Pathogenic Bacteria SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Werner, James; Shepherd, Douglas; Li, Nan; Micheva-Viteva, Sofiya; Munsky, Brian; Hong-Geller, Elizabeth] Los Alamos Natl Lab, Los Alamos, NM USA. RI Munsky, Brian/A-1947-2016 OI Munsky, Brian/0000-0001-6147-7329 NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 396A EP 396A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402236 ER PT J AU Bischak, CG Kaz, DM Hetherington, CL Precht, JT Marti, X Clarkson, JD Adamo, C Schlom, DG Ramesh, R Aloni, S Ogletree, DF Ginsberg, NS AF Bischak, Connor G. Kaz, David M. Hetherington, Craig L. Precht, Jake T. Marti, Xavier Clarkson, James D. Adamo, Carolina Schlom, Darrell G. Ramesh, Ramamoorthy Aloni, Shaul Ogletree, D. Frank Ginsberg, Naomi S. TI Cathodoluminescence-Activated Imaging by Resonance Energy Transfer: A New Approach to Imaging Nanoscale Aqueous Biodynamics SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Bischak, Connor G.; Kaz, David M.; Hetherington, Craig L.; Precht, Jake T.; Ginsberg, Naomi S.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Kaz, David M.; Ginsberg, Naomi S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Marti, Xavier; Clarkson, James D.; Ramesh, Ramamoorthy] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Adamo, Carolina; Schlom, Darrell G.] Cornell Univ, Ithaca, NY USA. [Schlom, Darrell G.] Cornell Univ, Kavli Inst Cornell Nanoscale Sci, Ithaca, NY USA. [Ramesh, Ramamoorthy; Aloni, Shaul; Ogletree, D. Frank] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Aloni, Shaul; Ogletree, D. Frank] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RI Marti, Xavier/E-1103-2014 OI Marti, Xavier/0000-0003-1653-5619 NR 0 TC 0 Z9 0 U1 0 U2 10 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 402A EP 402A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402265 ER PT J AU Sivak, DA Chodera, JD Crooks, GE AF Sivak, David A. Chodera, John D. Crooks, Gavin E. TI Numerical Langevin Simulations: Equilibrium Dynamics and Nonequilibrium Thermodynamics SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Sivak, David A.] Univ Calif San Francisco, San Francisco, CA 94143 USA. [Chodera, John D.] Mem Sloan Kettering Canc Ctr, New York, NY 10021 USA. [Crooks, Gavin E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 3 U2 6 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 403A EP 403A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402267 ER PT J AU Jiang, W Phillips, J Huang, L Fajer, M Meng, YL Gumbart, JC Luo, Y Schulten, K Roux, B AF Jiang, Wei Phillips, James Huang, Lei Fajer, Mikolai Meng, Yilin Gumbart, James C. Luo, Yun Schulten, Klaus Roux, Benoit TI Generalized Scalable Multiple Copy Algorithms for Biological Molecular Dynamics Simulations in NAMD SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Jiang, Wei; Luo, Yun] Argonne Natl Lab, Leadership Comp Facil, Lemont, IL USA. [Phillips, James; Schulten, Klaus] Univ Illinois, Beckman Inst, Urbana, IL USA. [Huang, Lei; Fajer, Mikolai; Meng, Yilin; Roux, Benoit] Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. [Gumbart, James C.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. NR 0 TC 0 Z9 0 U1 1 U2 5 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 412A EP 412A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402313 ER PT J AU Geng, J Kim, K Tunuguntla, R Ajo-Franklin, C Noy, A AF Geng, Jia Kim, Kyunghoon Tunuguntla, Ramya Ajo-Franklin, Caroline Noy, Aleksandr TI Stochastic Gating and Molecular Transport in Carbon Nanotube Ion Channels SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Geng, Jia; Ajo-Franklin, Caroline] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Geng, Jia; Noy, Aleksandr] UC Merced, Merced, CA USA. [Kim, Kyunghoon] Univ Calif Berkeley, Berkeley, CA USA. [Tunuguntla, Ramya; Noy, Aleksandr] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 419A EP 419A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402353 ER PT J AU Montano, GA Collins, AM Tian, YM Parra-Vasquez, NG Duque, J Sahin, T Doorn, SK Lindsey, JS AF Montano, Gabriel A. Collins, Aaron M. Tian, Yongming Parra-Vasquez, Nicholas G. Duque, Juan Sahin, Tuba Doorn, Stephen K. Lindsey, Jonathon S. TI Block Copolymers for Responsive, Energetic Nanocomposite Membrane Assemblies SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Montano, Gabriel A.; Collins, Aaron M.; Doorn, Stephen K.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM USA. [Tian, Yongming] New Mexico Inst Min & Technol, Dept Chem, Socorro, NM 87801 USA. [Parra-Vasquez, Nicholas G.; Duque, Juan] Los Alamos Natl Lab, Los Alamos, NM USA. [Sahin, Tuba; Lindsey, Jonathon S.] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. RI Lindsey, Jonathan/J-7761-2012; Tian, Yongming/B-9720-2009 NR 0 TC 0 Z9 0 U1 0 U2 7 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 420A EP 420A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402357 ER PT J AU Zhou, S Sokolov, A Lavrentovich, OD Aranson, IS AF Zhou, Shuang Sokolov, Andrey Lavrentovich, Oleg D. Aranson, Igor S. TI Living Liquid Crystals SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Zhou, Shuang; Lavrentovich, Oleg D.] Kent State Univ, Inst Liquid Crystal, Kent, OH 44242 USA. [Sokolov, Andrey; Aranson, Igor S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Aranson, Igor S.] Northwestern Univ, Evanston, IL USA. NR 0 TC 0 Z9 0 U1 3 U2 15 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 420A EP 420A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402358 ER PT J AU Zeno, WF Longo, ML Risbud, SH Coleman, MA AF Zeno, Wade F. Longo, Marjorie L. Risbud, Subhash H. Coleman, Matthew A. TI Investigation of Nanolipoprotein Particles Entrapped Within Nanoporous Silica: A Novel Platform for Immobilization of Integral Membrane Proteins SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Zeno, Wade F.; Longo, Marjorie L.; Risbud, Subhash H.] Univ Calif Davis, Davis, CA 95616 USA. [Coleman, Matthew A.] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 1 Z9 1 U1 2 U2 8 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 421A EP 421A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402365 ER PT J AU Zhang, R Alushin, G Kellogg, E Nogales, E AF Zhang, Rui Alushin, Gregory Kellogg, Elizabeth Nogales, Eva TI 3.8 Angstrom Resolution Structure of Microtubule by Cryo-Em SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Zhang, Rui; Nogales, Eva] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Alushin, Gregory; Kellogg, Elizabeth; Nogales, Eva] Univ Calif Berkeley, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 442A EP 442A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402472 ER PT J AU Shang, ZG Csencsits, R Xu, C Cochran, JC Sindelar, CV AF Shang, Zhiguo Csencsits, Roseanne Xu, Chen Cochran, Jared C. Sindelar, Charles Vaughn TI Structural Basis for Nucleotide Exchange and Power Stroke Generation by the Kinesin Molecular Motor SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Shang, Zhiguo; Sindelar, Charles Vaughn] Yale Univ, New Haven, CT USA. [Csencsits, Roseanne] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Xu, Chen] Brandeis Univ, Waltham, MA USA. [Cochran, Jared C.] Indiana Univ, Bloomington, IN USA. NR 0 TC 0 Z9 0 U1 2 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 443A EP 443A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402474 ER PT J AU Davis, RW Jones, HDT Timlin, JA Singh, S AF Davis, Ryan W. Jones, Howland D. T. Timlin, Jerilyn A. Singh, Seema TI Mechanism of Nutrient Deprivation Induced Triacylglyceride Accumulation in Alga Indicated by Fluorescence Hyperspectral Imaging SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Davis, Ryan W.; Singh, Seema] Sandia Natl Labs, Livermore, CA USA. [Jones, Howland D. T.; Timlin, Jerilyn A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 2 U2 5 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 451A EP 451A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402516 ER PT J AU Bohon, J Ralston, C D'Mello, R Gupta, S Chance, MR AF Bohon, Jen Ralston, Corie D'Mello, Rhijuta Gupta, Sayan Chance, Mark R. TI Synchrotron X-Ray Footprinting on Tour SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Bohon, Jen; D'Mello, Rhijuta; Chance, Mark R.] Case Western Reserve Univ, Ctr Synchrotron Biosci, Upton, NY USA. [Bohon, Jen; D'Mello, Rhijuta; Chance, Mark R.] Case Western Reserve Univ, Ctr Prote & Bioinformat, Cleveland, OH 44106 USA. [Ralston, Corie; Gupta, Sayan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Ctr Struct Biol, Phys Biosci Div, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 457A EP 457A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402546 ER PT J AU Gupta, S Celestre, R Bohon, J Chance, M Ralston, C AF Gupta, Sayan Celestre, Richard Bohon, Jennifer Chance, Mark Ralston, Corie TI Development of a High Throughput X-Ray Footprinting Facility at the Advanced Light Source to Study the Structure and Dynamics of Complex Biological Macromolecules SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Gupta, Sayan; Ralston, Corie] LBNL, Phys Biosci Div, Berkeley, CA USA. [Celestre, Richard] LBNL, Adv Light Source, Berkeley, CA USA. [Bohon, Jennifer] BNL, Case Ctr Synchrotron Biosci, Upton, NY USA. [Chance, Mark] Case Western Reserve Univ, Ctr Prote & Bioinformat, Cleveland, OH 44106 USA. NR 0 TC 0 Z9 0 U1 2 U2 3 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 457A EP 457A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402545 ER PT J AU Nickels, JD Perticaroli, S Ehlers, G O'Neill, H Sokolov, AP AF Nickels, Jonathan D. Perticaroli, Stefania Ehlers, Georg O'Neill, Hugh Sokolov, Alexei P. TI Collective Dynamics and Coherent Neutron Scattering in GFP SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Nickels, Jonathan D.; Perticaroli, Stefania; Ehlers, Georg; O'Neill, Hugh; Sokolov, Alexei P.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Nickels, Jonathan D.; Perticaroli, Stefania; Sokolov, Alexei P.] Univ Tennessee, Knoxville, TN USA. RI Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Nickels, Jonathan/I-1913-2012 OI Ehlers, Georg/0000-0003-3513-508X; Nickels, Jonathan/0000-0001-8351-7846 NR 3 TC 0 Z9 0 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 460A EP 460A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402563 ER PT J AU Bautista, CAL Sethi, A Tian, JH Goldstein, B Wilson, B Gnanakaran, S AF Bautista, Cesar A. Lopez Sethi, Anurag Tian, Jianhui Goldstein, Byron Wilson, Bridget Gnanakaran, S. TI Molecular Mechanism of Interfacial Adsorption of Disordered Cytoplasmic Tail of Immune Receptors to Membrane SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Bautista, Cesar A. Lopez; Sethi, Anurag; Tian, Jianhui; Goldstein, Byron; Gnanakaran, S.] Los Alamos Natl Lab, Los Alamos, NM USA. [Wilson, Bridget] Univ New Mexico, SOM Pathol Dept, Albuquerque, NM 87131 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 481A EP 481A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402666 ER PT J AU Doktorova, M Heberle, FA Goh, SL Standaert, RF Katsaras, J Feigenson, GW AF Doktorova, Milka Heberle, Frederick A. Goh, Shih Lin Standaert, Robert F. Katsaras, John Feigenson, Gerald W. TI Hybrid and Nonhybrid Lipids Exert Common Effects on Membrane Raft Size and Morphology SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Doktorova, Milka] Weill Cornell Med Coll, New York, NY USA. [Heberle, Frederick A.; Standaert, Robert F.; Katsaras, John] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Goh, Shih Lin; Feigenson, Gerald W.] Cornell Univ, Ithaca, NY USA. [Standaert, Robert F.; Katsaras, John] Univ Tennessee, Knoxville, TN USA. RI Standaert, Robert/D-9467-2013 OI Standaert, Robert/0000-0002-5684-1322 NR 0 TC 0 Z9 0 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 501A EP 501A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402773 ER PT J AU Kimble-Hill, AC Johnson, M Firestone, MA Petrache, H Hurley, TD Wells, CD Seifert, S AF Kimble-Hill, Ann C. Johnson, Merrell Firestone, Millicent A. Petrache, Horia Hurley, Thomas D. Wells, Clark D. Seifert, Soenke TI The Role of Phosphoinositol Lipids in Amot Membrane Association SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Kimble-Hill, Ann C.; Hurley, Thomas D.; Wells, Clark D.] Indiana Univ Sch Med, Indianapolis, IN 46202 USA. [Johnson, Merrell; Petrache, Horia] Indiana Univ Purdue Univ, Indianapolis, IN 46202 USA. [Firestone, Millicent A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM USA. [Seifert, Soenke] Argonne Natl Lab, APS, Xray Sci Div, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 506A EP 507A PG 2 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402802 ER PT J AU Adams, PG Swingle, K Lamoureux, L Mukundan, H Montano, GA AF Adams, Peter G. Swingle, Kirstie Lamoureux, Loreen Mukundan, Harshini Montano, Gabriel A. TI Lipopolysaccharide Induced Dynamic Lipid Organizations: Lipid Tubules, Membrane Perforations and Multi-Lamellar Stacking SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Adams, Peter G.; Swingle, Kirstie; Montano, Gabriel A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM USA. [Swingle, Kirstie; Mukundan, Harshini] New Mexico Consortium, Los Alamos, NM USA. [Lamoureux, Loreen] Univ New Mexico, Ctr Biomed Engn, Albuquerque, NM 87131 USA. [Mukundan, Harshini] Los Alamos Natl Lab, Los Alamos, NM USA. RI Adams, Peter/B-6539-2013 OI Adams, Peter/0000-0002-3940-8770 NR 0 TC 0 Z9 0 U1 0 U2 3 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 508A EP 509A PG 2 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402812 ER PT J AU Olsen, BN Bielska, AA Lee, T Daily, MD Covey, DF Schlesinger, PH Baker, NA Ory, DS AF Olsen, Brett N. Bielska, Agata A. Lee, Tiffany Daily, Michael D. Covey, Douglas F. Schlesinger, Paul H. Baker, Nathan A. Ory, Daniel S. TI The Structural Basis of Cholesterol Accessibility in Membranes SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Olsen, Brett N.; Bielska, Agata A.; Lee, Tiffany; Ory, Daniel S.] Washington Univ, St Louis, MO USA. [Daily, Michael D.; Baker, Nathan A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Covey, Douglas F.; Schlesinger, Paul H.] Washington Univ, St Louis, MO USA. RI Baker, Nathan/A-8605-2010 OI Baker, Nathan/0000-0002-5892-6506 NR 0 TC 1 Z9 1 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 509A EP 509A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402815 ER PT J AU Vanegas, JM Faller, R Longo, ML AF Vanegas, Juan M. Faller, Roland Longo, Marjorie L. TI Keeping Order While Moving Fast: Ergosterol Pairs Lead to Dynamic Networks in Lipid Membranes SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Vanegas, Juan M.] Sandia Natl Labs, Albuquerque, NM USA. [Faller, Roland; Longo, Marjorie L.] Univ Calif Davis, Davis, CA 95616 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 509A EP 509A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402816 ER PT J AU Naranjo, AN Katsaras, J Robinson, AS AF Naranjo, Andrea N. Katsaras, John Robinson, Anne S. TI Short Chain Lipids Maintain Adenosine A2AR Ligand Binding in the Absence of Cholesterol SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Naranjo, Andrea N.; Robinson, Anne S.] Univ Delaware, Newark, DE USA. [Katsaras, John] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Katsaras, John] Univ Tennessee, Knoxville, TN USA. [Robinson, Anne S.] Tulane Univ, New Orleans, LA 70118 USA. NR 0 TC 0 Z9 0 U1 0 U2 3 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 518A EP 518A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000402860 ER PT J AU Rossi, M Tkatchenko, A Rempe, SB Varma, S AF Rossi, Mariana Tkatchenko, Alexandre Rempe, Susan B. Varma, Sameer TI Role of Methyl-Induced Polarization in Ion Binding SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Rossi, Mariana; Tkatchenko, Alexandre] Max Planck Gesell, Fritz Haber Inst, Berlin, Germany. [Rempe, Susan B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Varma, Sameer] Univ S Florida, Tampa, FL USA. NR 0 TC 0 Z9 0 U1 0 U2 4 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 540A EP 540A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403078 ER PT J AU Sabo, D Jiao, D Varma, S Pratt, L Rempe, S AF Sabo, Dubravko Jiao, Dian Varma, Sameer Pratt, Lawrence Rempe, Susan TI Density Functional Studies of Rubidium Hydration to Probe the Analogy Between Rb+ and K+ in K Channels SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Sabo, Dubravko] NYU, New York, NY USA. [Jiao, Dian] Univ Texas Houston, Houston, TX USA. [Varma, Sameer] Univ S Florida, Tampa, FL USA. [Pratt, Lawrence] Tulane Univ, New Orleans, LA 70118 USA. [Rempe, Susan] Sandia Natl Labs, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 540A EP 540A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403079 ER PT J AU Ullah, G Demuro, A Parker, I Pearson, JE AF Ullah, Ghanim Demuro, Angelo Parker, Ian Pearson, John E. TI Learning the Kinetics of Amyloid beta Pore in Alzheimer's Disease Pathology SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Ullah, Ghanim] Univ S Florida, Tampa, FL USA. [Demuro, Angelo; Parker, Ian] Univ Calif Irvine, Dept Neurobiol & Behav, Irvine, CA USA. [Pearson, John E.] Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 548A EP 548A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403117 ER PT J AU Ren, G Zhang, L Lu, ZY Peng, B Wong, E Lei, DS Zhang, M Rames, MJ AF Ren, Gang Zhang, Lei Lu, Zhuoyang Peng, Bo Wong, Ed Lei, Dongsheng Zhang, Meng Rames, Matthew J. TI Visualizing Biological Samples in Liquid Solution by Electron Microscopy SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Ren, Gang; Zhang, Lei; Lu, Zhuoyang; Peng, Bo; Wong, Ed; Lei, Dongsheng; Zhang, Meng; Rames, Matthew J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RI Zhang, Lei/G-6427-2012 OI Zhang, Lei/0000-0002-4880-824X NR 0 TC 0 Z9 0 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 598A EP 598A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403364 ER PT J AU Glaeser, RM AF Glaeser, Robert M. TI Overcoming Patch-Potential Effects on the Surfaces of Tem Phase-Contrast Devices SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Glaeser, Robert M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 600A EP 600A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403376 ER PT J AU Wang, Z Hryc, C Bammes, B Afonine, P Jakana, J Chen, DH Liu, XG Baker, ML Kao, C Ludtke, SJ Schmid, MF Adams, P Chiu, W AF Wang, Zhao Hryc, Corey Bammes, Benjamin Afonine, Pavel Jakana, Joanita Chen, Dong-Hua Liu, Xiangan Baker, Matthew L. Kao, Cheng Ludtke, Steve J. Schmid, Michael F. Adams, Paul Chiu, Wah TI CRYO-EM Atomic Model of Brome Mosaic Virus Derived from Direct Electron Detection Images and a Real-Space Model Optimization Protocol SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Wang, Zhao; Hryc, Corey; Jakana, Joanita; Chen, Dong-Hua; Liu, Xiangan; Baker, Matthew L.; Ludtke, Steve J.; Schmid, Michael F.; Chiu, Wah] Baylor Coll Med, Verna & Marrs McLean Dept Biochem & Mo, Natl Ctr Macromol Imaging, Houston, TX 77030 USA. [Bammes, Benjamin] Driect Electron, Biochemistr, San Diego, CA USA. [Afonine, Pavel; Adams, Paul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kao, Cheng] Indiana Univ, Dept Mol & Cellular Biochem, Bloomington, IN USA. RI wang, zhao/E-1996-2016; Adams, Paul/A-1977-2013 OI Adams, Paul/0000-0001-9333-8219 NR 0 TC 0 Z9 0 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 600A EP 600A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403374 ER PT J AU Wang, RL Connolly, TG Phillips, JL Miguel, AV Gopinathan, A Newsam, SD Colvin, ME AF Wang, Robert L. Connolly, Timothy G. Phillips, Joshua L. Miguel, Amanda V. Gopinathan, Ajay Newsam, Shawn D. Colvin, Michael E. TI Comparison of Metrics of Inter-Structure Distance When Applied to Molecular Dynamics Simulations of Intrinsically Disordered Proteins SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Wang, Robert L.; Newsam, Shawn D.] UC Merced, Sch Engn, Merced, CA USA. [Connolly, Timothy G.; Gopinathan, Ajay; Colvin, Michael E.] UC Merced, Sch Nat Sci, Merced, CA USA. [Phillips, Joshua L.] Los Alamos Natl Lab, Los Alamos, NM USA. [Miguel, Amanda V.] Stanford Univ, Stanford, CA 94305 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 610A EP 611A PG 2 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403428 ER PT J AU Bennion, BJ London, RA Hau-Riege, SP Barsky, D AF Bennion, Brian J. London, Richard A. Hau-Riege, Stefan P. Barsky, Daniel TI Modeling Evaporation in Aqueous Nanodroplets SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Bennion, Brian J.; London, Richard A.; Hau-Riege, Stefan P.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Barsky, Daniel] Calif State Univ East Bay, Hayward, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 3 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 620A EP 621A PG 2 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403482 ER PT J AU Wichner, SM DeWitt, MA Cohen, BE Yildiz, A AF Wichner, Sara M. DeWitt, Mark A. Cohen, Bruce E. Yildiz, Ahmet TI Novel Quantum Dot Probes for Single-Molecule Biophysics SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Wichner, Sara M.; DeWitt, Mark A.; Yildiz, Ahmet] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Cohen, Bruce E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 633A EP 633A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403542 ER PT J AU Perera, SMDC Shrestha, U Chawla, U Struts, AV Qian, S Brown, MF Chu, XQ AF Perera, Suchithranga M. D. C. Shrestha, Utsab Chawla, Udeep Struts, Andrey V. Qian, Shuo Brown, Michael F. Chu, Xiang-Qiang TI G-Protein-Coupled Receptor Activation Investigated using Small-Angle Neutron Scattering SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Perera, Suchithranga M. D. C.; Chawla, Udeep; Struts, Andrey V.; Brown, Michael F.] Univ Arizona, Dept Chem & Biochem, Tucson, AZ USA. [Shrestha, Utsab; Chu, Xiang-Qiang] Wayne State Univ, Dept Phys, Detroit, MI 48202 USA. [Qian, Shuo] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. [Brown, Michael F.] Univ Arizona, Tucson, AZ USA. RI Struts, Andrey/J-9604-2014 OI Struts, Andrey/0000-0002-1758-5151 NR 0 TC 1 Z9 1 U1 0 U2 5 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 634A EP 634A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403549 ER PT J AU Tian, JH Petridis, L Heller, WT AF Tian, Jianhui Petridis, Loukas Heller, William T. TI Molecular Dynamics Simulations of the Catalytic Subunit of Protein Kinase a Reveal New Insight into the Catalytic Process SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Tian, Jianhui; Heller, William T.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Petridis, Loukas] Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 635A EP 635A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403553 ER PT J AU Smith, DM Raugei, S Danyal, K Seefeldt, L AF Smith, Dayle M. Raugei, Simone Danyal, Karamatullah Seefeldt, Lance TI A Substrate Channel in Nitrogenase Revealed by a Molecular Dynamics Approach SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Smith, Dayle M.; Raugei, Simone] Pacific NW Natl Lab, Richland, WA 99352 USA. [Danyal, Karamatullah; Seefeldt, Lance] Utah State Univ, Logan, UT 84322 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 636A EP 636A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403559 ER PT J AU Stanley, CB Perevozchikova, T McWilliams-Koeppen, HP Berthelier, V AF Stanley, Christopher B. Perevozchikova, Tatiana McWilliams-Koeppen, Helen P. Berthelier, Valerie TI Structural and Hydration Properties of Huntingtin Aggregates Determined by Small-Angle Neutron Scattering SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Stanley, Christopher B.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN USA. [Perevozchikova, Tatiana; McWilliams-Koeppen, Helen P.; Berthelier, Valerie] Univ Tennessee, Med Ctr, Grad Sch Med, Knoxville, TN USA. NR 0 TC 0 Z9 0 U1 1 U2 3 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 680A EP 680A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403789 ER PT J AU Gokey, T Hang, B Guliaev, A AF Gokey, Trevor Hang, Bo Guliaev, Anton TI Structural Characterization of Heavy Metal Toxicity in a Human DNA Repair Glycosylase SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Gokey, Trevor; Guliaev, Anton] San Francisco State Univ, San Francisco, CA 94132 USA. [Hang, Bo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 3 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 690A EP 690A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403837 ER PT J AU Tsutakawa, S Yan, CL Xu, XJ Freudenthal, B Weinacht, C Zhuang, ZH Washington, T Ivanov, I AF Tsutakawa, Susan Yan, Chunli Xu, Xiaojun Freudenthal, Bret Weinacht, Christopher Zhuang, Zhihao Washington, Todd Ivanov, Ivaylo TI Structurally Distinct Complexes of Ubiquitin and Sumo-Modified PCNA Lead to Distinct DNA Damage Response Pathways SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Tsutakawa, Susan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Yan, Chunli; Xu, Xiaojun; Ivanov, Ivaylo] Georgia State Univ, Atlanta, GA 30303 USA. [Freudenthal, Bret; Washington, Todd] Univ Iowa, Iowa City, IA USA. [Weinacht, Christopher; Zhuang, Zhihao] Univ Delaware, Newark, DE USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 691A EP 691A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000403844 ER PT J AU Vernon, BC La Bauve, S Rogers, DM Carson, B Siegrist, CM Moczydlowski, E Heinrich, F Akgun, B Satija, S Zheng, AH Kielian, MC Kent, MS AF Vernon, Briana C. La Bauve, Sadie Rogers, David M. Carson, Bryan Siegrist, Cathryn M. Moczydlowski, Edward Heinrich, Frank Akgun, Bulent Satija, Sushil Zheng, Aihua Kielian, Margaret C. Kent, Michael S. TI Biophysical Study of the Dependence of Fusion of Dengue Virus with Host Membranes on Lipid Composition SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Vernon, Briana C.; La Bauve, Sadie; Rogers, David M.; Carson, Bryan; Siegrist, Cathryn M.; Moczydlowski, Edward; Kent, Michael S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Heinrich, Frank] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Akgun, Bulent; Satija, Sushil] NIST, Gaithersburg, MD 20899 USA. [Zheng, Aihua; Kielian, Margaret C.] Albert Einstein Coll Med, Dept Cell Biol, New York, NY USA. NR 4 TC 0 Z9 0 U1 0 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 707A EP 708A PG 2 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000404043 ER PT J AU Kothari, S Kim, SH Patel, AB Bielicki, JK Narayanaswami, V AF Kothari, Shweta Kim, Sea H. Patel, Arti B. Bielicki, John K. Narayanaswami, Vasanthy TI Analysis of the Molecular Organization of Lipoprotein-Associated Apolipoprotein E, an Anti-Atherogenic Protein SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Kothari, Shweta; Kim, Sea H.; Patel, Arti B.; Narayanaswami, Vasanthy] Calif State Univ Long Beach, Long Beach, CA 90840 USA. [Bielicki, John K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 712A EP 712A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000404066 ER PT J AU Vasdekis, AE Stephanopoulos, GN AF Vasdekis, Andreas E. Stephanopoulos, Gregory N. TI Single Microbe Trap and Release using Sub-Microfluidics: Methods and Applications in Biopolymer Trafficking SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Vasdekis, Andreas E.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Vasdekis, Andreas E.] Ecole Polytech Fed Lausanne, Lausanne, Switzerland. [Stephanopoulos, Gregory N.] MIT, Boston, MA USA. NR 6 TC 0 Z9 0 U1 0 U2 6 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 733A EP 733A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000404163 ER PT J AU Blasie, JK Tronin, A Strzalka, JW Kuzmenko, I Worcester, D Lauter, V Freites, JA Tobias, DJ AF Blasie, J. K. Tronin, A. Strzalka, J. W. Kuzmenko, I. Worcester, D. Lauter, V. Freites, J. A. Tobias, D. J. TI Direct Evidence of Conformational Changes Associated with Voltage-Gating in a Voltage Sensor Protein by Time-Resolved X-Ray/Neutron Interferometry SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Blasie, J. K.; Tronin, A.] Univ Penn, Philadelphia, PA 19104 USA. [Strzalka, J. W.; Kuzmenko, I.] Argonne Natl Lab, Argonne, IL 60439 USA. [Worcester, D.; Freites, J. A.; Tobias, D. J.] Univ Calif Irvine, Irvine, CA USA. [Lauter, V.] Oak Ridge Natl Lab, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 743A EP 743A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000404210 ER PT J AU Phillips, JL Ganguly, K Wren, M Gupta, G Wall, ME Gnanakaran, S AF Phillips, Joshua L. Ganguly, Kumkum Wren, Melinda Gupta, Goutam Wall, Michael E. Gnanakaran, S. TI Systems Level Study of Bacterial Multi-Drug Resistance from Efflux Machinery SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Phillips, Joshua L.; Ganguly, Kumkum; Wren, Melinda; Gupta, Goutam; Wall, Michael E.; Gnanakaran, S.] Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 1 U2 2 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 791A EP 791A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000404445 ER PT J AU Ileri, N Davenport, M Letant, SE Tringe, JW AF Ileri, Nazar Davenport, Matthew Letant, Sonia E. Tringe, Joseph W. TI Molecular Dynamics Simulations of Colloids in Single Solid-State Nanopores SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Ileri, Nazar; Davenport, Matthew; Letant, Sonia E.; Tringe, Joseph W.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Davenport, Matthew] Univ Calif Irvine, Irvine, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 3 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 803A EP 803A PG 1 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000404503 ER PT J AU Dubey, A Heinonen, O AF Dubey, Archana Heinonen, Olle TI Electronic Structure Study of Certain Rhizoferrin Analogs and Its Ferric-Ion Complexes SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 58th Annual Meeting of the Biophysical-Society CY FEB 15-19, 2014 CL San Francisco, CA SP Biophys Soc C1 [Dubey, Archana] UCF, Orlando, FL USA. [Heinonen, Olle] Argonne Natl Lab, Div Mat Sci, Lemont, IL USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JAN 28 PY 2014 VL 106 IS 2 SU 1 BP 807A EP 808A PG 2 WC Biophysics SC Biophysics GA AI6QE UT WOS:000337000404530 ER PT J AU Siegal, MP Limmer, SJ Lensch-Falk, JL Erickson, KJ Medlin, DL Yelton, WG Rochford, C AF Siegal, Michael P. Limmer, Steven J. Lensch-Falk, Jessica L. Erickson, Kristopher J. Medlin, Douglas L. Yelton, W. Graham Rochford, Caitlin TI Improving Bi2Te3-based thermoelectric nanowire microstructure via thermal processing SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID ANODIC ALUMINA TEMPLATES; BISMUTH TELLURIDE; ARRAYS; ELECTRODEPOSITION; FABRICATION; GROWTH; VAPORIZATION; DENSITY; FIELD; SI AB Achieving control of crystalline quality is a key barrier to developing thermoelectric (TE) nanowires. We show that the structural properties of free-standing Bi-2(Te.97Se.03)(3) nanowire arrays on substrates can be improved by postdeposition annealing. Nanowires were electrochemically deposited into anodized aluminum oxide nanopore templates formed directly on metallized Si(100). The templates were chemically removed prior to annealing in a 3% H-2/Ar environment to prevent microcrack formation that results from thermal stresses. Grain sizes grew exponentially with annealing temperature until reaching the full 75-nm diameter of the nanowires at 300 degrees C; growth was linear above this temperature since grains could grow further only in the axial directions. Crystalline quality, along with the development of the preferred (110) orientation for optimal TE properties, improved with increasing annealing temperature between 200 and 400 degrees C. However, continued loss of Te composition with annealing led to a mixed phase of Bi2Te3 and Bi4Te3 at 500 degrees C. C1 [Siegal, Michael P.; Limmer, Steven J.; Yelton, W. Graham; Rochford, Caitlin] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Lensch-Falk, Jessica L.; Erickson, Kristopher J.; Medlin, Douglas L.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Siegal, MP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mpsiega@sandia.gov OI Rochford, Caitlin/0000-0002-5070-209X; Limmer, Steven/0000-0001-6588-372X FU Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Don Overmyer for assisting with the thermal annealing and x-ray diffraction experiments. 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 Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 36 TC 1 Z9 1 U1 3 U2 33 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 EI 2044-5326 J9 J MATER RES JI J. Mater. Res. PD JAN 28 PY 2014 VL 29 IS 2 BP 182 EP 189 DI 10.1557/jmr.2013.370 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA AD0OL UT WOS:000332933800002 ER PT J AU Chen, WH Sarobol, P Holaday, JR Handwerker, CA Blendell, JE AF Chen, Wei-Hsun Sarobol, Pylin Holaday, John R. Handwerker, Carol A. Blendell, John E. TI Effect of crystallographic texture, anisotropic elasticity, and thermal expansion on whisker formation in beta-Sn thin films SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID INTERMETALLIC GROWTH; HILLOCK FORMATION; STRESS EVOLUTION; TIN WHISKERS; LEAD-FREE; CU; ORIENTATION; PB; ELECTRODEPOSITS; MICROSTRUCTURES AB A strategy for identifying the preferred sites and overall propensity of a Sn film to form whiskers has been developed based on film textures, local grain orientations, and elastic strain energy densities (ESEDs), with preferred sites predicted to be grains with local high ESEDs. Using beta-Sn films with various textures, ESED distributions were simulated for elastic and thermoelastic stresses depending on isothermal aging or thermal cycling conditions. Local high ESEDs are preferentially induced in (110) or (100) oriented grains with c-axes nearly parallel to the film plane; films with overall low ESEDs have strong (100) textures for elastic stresses and strong (001) textures for thermoelastic stresses, suggesting low propensities to form whiskers. This work establishes a model for understanding the effect of the beta-Sn anisotropy on whisker formation and provides guidelines for testing whether engineering specific film textures will reduce a film's propensity to form whiskers. C1 [Chen, Wei-Hsun; Holaday, John R.; Handwerker, Carol A.; Blendell, John E.] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. [Sarobol, Pylin] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Chen, WH (reprint author), Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. EM askachen@purdue.edu OI Chen, Wei-Hsun/0000-0002-3761-1038 FU Naval Surface Warfare Center NSWC-Crane; Foresite, Inc.; Cisco Systems; NSF; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the Naval Surface Warfare Center NSWC-Crane, Foresite, Inc., Cisco Systems, and the NSF Graduate Research Fellowship Program. The authors would like to thank Anthony Rollett and Benjamin Anglin of Carnegie Mellon University for enlightening discussions, Terry Munson and Steve Ring of Foresite Technology and Denny Fritz of SAIC for connecting our work to industrial needs, the reviewers for valuable comments and suggestions, and Sarah Leach for assistance with microstructure construction. 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 42 TC 1 Z9 1 U1 0 U2 14 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 EI 2044-5326 J9 J MATER RES JI J. Mater. Res. PD JAN 28 PY 2014 VL 29 IS 2 BP 197 EP 206 DI 10.1557/jmr.2013.378 PG 10 WC Materials Science, Multidisciplinary SC Materials Science GA AD0OL UT WOS:000332933800004 ER PT J AU Chaston, CC Bonnell, JW Wygant, JR Mozer, F Bale, SD Kersten, K Breneman, AW Kletzing, CA Kurth, WS Hospodarsky, GB Smith, CW MacDonald, EA AF Chaston, Christopher C. Bonnell, John W. Wygant, John R. Mozer, Forrest Bale, Stuart D. Kersten, Kris Breneman, Aaron W. Kletzing, Craig A. Kurth, William S. Hospodarsky, George B. Smith, Charles W. MacDonald, Elizabeth A. TI Observations of kinetic scale field line resonances SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE alfven waves; field lines resonances; injections; particle accleration; kinetic effects ID SHEAR ALFVEN WAVES; ENERGETIC PARTICLE; ELECTRIC-FIELDS; MAGNETOSPHERE AB We identify electromagnetic field variations from the Van Allen Probes which have the properties of Doppler shifted kinetic scale Alfvenic field line resonances. These variations are observed during injections of energetic plasmas into the inner magnetosphere. These waves have scale sizes perpendicular to the magnetic field which are determined to be of the order of an ion gyro-radius ((i)) and less. Cross-spectral analysis of the electric and magnetic fields reveals phase transitions at frequencies correlated with enhancements and depressions in the ratio of the electric and magnetic fields. Modeling shows that these observations are consistent with the excitation of field-line resonances over a broad range of wave numbers perpendicular to the magnetic field (k) extending to k(i)>> 1. The amplitude of these waves is such that E/B-oi/k (E,B-o, and (i) are the wave amplitude, background field strength, and ion gyro-frequency, respectively) leading to ion demagnetization and acceleration for multiple transitions through the wave potential. Key Points Injections contain kinetic scale field-line resonances kinetic scale field-line resonances allow ion energisation May contribute to the heavy ion ring current C1 [Chaston, Christopher C.; Bonnell, John W.; Mozer, Forrest; Bale, Stuart D.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Chaston, Christopher C.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Wygant, John R.; Kersten, Kris; Breneman, Aaron W.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Kletzing, Craig A.; Kurth, William S.; Hospodarsky, George B.] Univ Iowa, Dept Phys, Iowa City, IA USA. [Smith, Charles W.] Univ New Hampshire, Dept Phys, Durham, NH 03824 USA. [Smith, Charles W.] Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA. [MacDonald, Elizabeth A.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Chaston, CC (reprint author), Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. EM ccc@ssl.berkeley.edu RI Bale, Stuart/E-7533-2011; OI Bale, Stuart/0000-0002-1989-3596; Kletzing, Craig/0000-0002-4136-3348; Kurth, William/0000-0002-5471-6202; Hospodarsky, George/0000-0001-9200-9878 FU NASA [NNX11AD78G, NAS5-01072]; EFW investigation; Emfisis under JHU/APL [921647]; RBSP-ECT JHU/APL [967399]; Australian Research Council [FT110100316] FX This research was supported by the NASA Grant NNX11AD78G and Van Allen Probes (RBSP) funding provided under NASA prime contract NAS5-01072, including the EFW investigation (PI: J.R. Wygant, University of Minnesota), Emfisis under JHU/APL contract 921647 and RBSP-ECT JHU/APL under contract 967399. Chris Chaston also received support from the Australian Research Council through grant FT110100316. NR 21 TC 18 Z9 18 U1 0 U2 8 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 JAN 28 PY 2014 VL 41 IS 2 BP 209 EP 215 DI 10.1002/2013GL058507 PG 7 WC Geosciences, Multidisciplinary SC Geology GA AD1JT UT WOS:000332991000002 ER PT J AU Su, ZP Xiao, FL Zheng, HN He, ZG Zhu, H Zhang, M Shen, C Wang, YM Wang, S Kletzing, CA Kurth, WS Hospodarsky, GB Spence, HE Reeves, GD Funsten, HO Blake, JB Baker, DN AF Su, Zhenpeng Xiao, Fuliang Zheng, Huinan He, Zhaoguo Zhu, Hui Zhang, Min Shen, Chao Wang, Yuming Wang, Shui Kletzing, C. A. Kurth, W. S. Hospodarsky, G. B. Spence, H. E. Reeves, G. D. Funsten, H. O. Blake, J. B. Baker, D. N. TI Nonstorm time dynamics of electron radiation belts observed by the Van Allen Probes SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE electron radiation belt; relativistic electron acceleration; wave-particle interaction; chorus wave; Van Allen Probes; quasi-linear simulation ID RELATIVISTIC ELECTRONS; MAGNETIC STORM; ACCELERATION; MAGNETOSPHERE; ENERGIZATION; DIFFUSION; PARTICLE; RING AB Storm time electron radiation belt dynamics have been widely investigated for many years. Here we present a rarely reported nonstorm time event of electron radiation belt evolution observed by the Van Allen Probes during 21-24 February 2013. Within 2 days, a new belt centering around L=5.8 formed and gradually merged with the original outer belt, with the enhancement of relativistic electron fluxes by a factor of up to 50. Strong chorus waves (with power spectral density up to 10(-4)nT(2)/Hz) occurred in the region L>5. Taking into account the local acceleration driven by these chorus waves, the two-dimensional STEERB can approximately reproduce the observed energy spectrums at the center of the new belt. These results clearly illustrate the complexity of electron radiation belt behaviors and the importance of chorus-driven local acceleration even during the nonstorm times. Key Points A rarely reported nonstorm time event of RB reformation observed by RBSP Formation of a new belt near the outer boundary of the original outer belt Importance of chorus-driven local acceleration: observation and simulation C1 [Su, Zhenpeng; Zheng, Huinan; Zhu, Hui; Zhang, Min; Wang, Yuming; Wang, Shui] Univ Sci & Technol China, Dept Geophys & Planetary Sci, CAS Key Lab Geospace Environm, Hefei 230026, Peoples R China. [Su, Zhenpeng; Zheng, Huinan; Zhu, Hui; Wang, Yuming] Chinese Acad Sci, State Key Lab Space Weather, Beijing, Peoples R China. [Xiao, Fuliang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha, Hunan, Peoples R China. [He, Zhaoguo] Chinese Acad Sci, Ctr Space Sci & Appl Res, Beijing, Peoples R China. [Zhang, Min] Anhui Univ Architecture, Dept Math & Phys, Hefei, Peoples R China. [Shen, Chao] Chinese Acad Sci, Ctr Space Sci & Appl Res, State Key Lab Space Weather, Beijing, Peoples R China. [Kletzing, C. A.; Kurth, W. S.; Hospodarsky, G. B.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Spence, H. E.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. [Reeves, G. D.] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM USA. [Funsten, H. O.] Los Alamos Natl Lab, ISR Div, Los Alamos, NM USA. [Blake, J. B.] Aerosp Corp, Los Angeles, CA 90009 USA. [Baker, D. N.] Univ Colorado, Lab Atmospher & Space Res, Boulder, CO 80309 USA. RP Su, ZP (reprint author), Univ Sci & Technol China, Dept Geophys & Planetary Sci, CAS Key Lab Geospace Environm, Hefei 230026, Peoples R China. EM szpe@mail.ustc.edu.cn RI Su, Zhenpeng/E-1641-2011; Xiao, Fuliang/B-9245-2011; Yong, Liu/H-5333-2011; Funsten, Herbert/A-5702-2015; Reeves, Geoffrey/E-8101-2011; Wang, Yuming/A-8968-2012 OI Hospodarsky, George/0000-0001-9200-9878; Su, Zhenpeng/0000-0001-5577-4538; Xiao, Fuliang/0000-0003-1487-6620; Funsten, Herbert/0000-0002-6817-1039; Reeves, Geoffrey/0000-0002-7985-8098; Kletzing, Craig/0000-0002-4136-3348; Spence, Harlan/0000-0002-2526-2205; Kurth, William/0000-0002-5471-6202; Wang, Yuming/0000-0002-8887-3919 FU National Natural Science Foundation of China [41274169, 41274174, 41174125, 41131065, 41121003, 41074120, 41231066, 41304134]; Chinese Academy of Sciences [KZCX2-EW-QN510, KZZD-EW-01-4]; National Key Basic Research Special Foundation of China [2011CB811403]; Strategic Priority Research Program on Space Science of the Chinese Academy of Sciences [XDA04060201]; Fundamental Research Funds for the Central Universities [WK2080000031] FX We acknowledge J.H. King, N. Papatashvilli, and CDAWeb for the use of Dst, Kp, and AE data. This work was supported by the National Natural Science Foundation of China grants 41274169, 41274174, 41174125, 41131065, 41121003, 41074120, 41231066, and 41304134, the Chinese Academy of Sciences grants KZCX2-EW-QN510 and KZZD-EW-01-4, the National Key Basic Research Special Foundation of China grant 2011CB811403, the Strategic Priority Research Program on Space Science of the Chinese Academy of Sciences grant XDA04060201, and the Fundamental Research Funds for the Central Universities WK2080000031. NR 39 TC 18 Z9 19 U1 1 U2 16 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 JAN 28 PY 2014 VL 41 IS 2 BP 229 EP 235 DI 10.1002/2013GL058912 PG 7 WC Geosciences, Multidisciplinary SC Geology GA AD1JT UT WOS:000332991000005 ER PT J AU O'Brien, TP Claudepierre, SG Blake, JB Fennell, JF Clemmons, JH Roeder, JL Spence, HE Reeves, GD Baker, DN AF O'Brien, T. P. Claudepierre, S. G. Blake, J. B. Fennell, J. F. Clemmons, J. H. Roeder, J. L. Spence, H. E. Reeves, G. D. Baker, D. N. TI An empirically observed pitch-angle diffusion eigenmode in the Earth's electron belt near L*=5.0 SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE Radiation belt decay; Eigenmodes; Wave-particle interactions; Diffusion ID QUASI-LINEAR DIFFUSION; MAGNETOSPHERE AB Using data from NASA's Van Allen Probes, we have identified a synchronized exponential decay of electron flux in the outer zone, near L-*=5.0. Exponential decays strongly indicate the presence of a pure eigenmode of a diffusion operator acting in the synchronized dimension(s). The decay has a time scale of about 4 days with no dependence on pitch angle. While flux at nearby energies and L-* is also decaying exponentially, the decay time varies in those dimensions. This suggests the primary decay mechanism is elastic pitch angle scattering, which itself depends on energy and L-*. We invert the shape of the observed eigenmode to obtain an approximate shape of the pitch angle diffusion coefficient and show excellent agreement with diffusion by plasmaspheric hiss. Our results suggest that empirically derived eigenmodes provide a powerful diagnostic of the dynamic processes behind exponential decays. Key Points We observe a pure eigenmode of pitch angle diffusion in the radiation belt The eigenmode is characterized by synchronized decay at all pitch angles From the eigenmode, we derive a hypothetical pitch angle diffusion coefficient C1 [O'Brien, T. P.; Claudepierre, S. G.; Blake, J. B.; Fennell, J. F.; Clemmons, J. H.; Roeder, J. L.] Aerosp Corp, Dept Space Sci, Los Angeles, CA 90009 USA. [Spence, H. E.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. [Reeves, G. D.] Los Alamos Natl Lab, Space & Atmospher Sci Grp, Los Alamos, NM USA. [Baker, D. N.] Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80309 USA. RP O'Brien, TP (reprint author), Aerosp Corp, Dept Space Sci, POB 92957, Los Angeles, CA 90009 USA. EM paul.obrien@aero.org RI Reeves, Geoffrey/E-8101-2011; OI Reeves, Geoffrey/0000-0002-7985-8098; Clemmons, James/0000-0002-5298-5222; Spence, Harlan/0000-0002-2526-2205 FU University of New Hampshire [10-068]; RBSP-ECT by JHU/APL contract [NAS5-01072, 967399] FX The authors acknowledge useful discussions with M. Schulz, Y. Shprits, J. Albert, and our colleagues at The Aerospace Corporation. The authors acknowledge H. Funsten for contributions to the ECT suite and C. Kletzing for examining the EMFISIS data. The magnetic coordinates for the Van Allen Probes vehicle were provided by the ECT SOC at Los Alamos National Lab. We obtained the Kp magnetic activity index from the OMNI data set. The OMNI data were obtained from the GSFC/SPDF OMNIWeb interface at http://omniweb.gsfc.nasa.gov. This work was funded by contract 10-068 from the University of New Hampshire, derived from NASA Van Allen Probes mission funding via RBSP-ECT funding NAS5-01072 provided by JHU/APL contract 967399. NR 21 TC 6 Z9 6 U1 0 U2 2 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 JAN 28 PY 2014 VL 41 IS 2 BP 251 EP 258 DI 10.1002/2013GL058713 PG 8 WC Geosciences, Multidisciplinary SC Geology GA AD1JT UT WOS:000332991000008 ER PT J AU Fyke, JG Vizcaino, M Lipscomb, W Price, S AF Fyke, Jeremy G. Vizcaino, Miren Lipscomb, William Price, Stephen TI Future climate warming increases Greenland ice sheet surface mass balance variability SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE Greenland ice sheet; climate change; climate variability; climate modeling ID EARTH SYSTEM MODEL; MELT; ACCELERATION; 21ST-CENTURY; ACCUMULATION AB The integrated surface mass balance (SMB) of the Greenland ice sheet (GrIS) has large interannual variability. Long-term future changes to this variability will affect GrIS dynamics, freshwater fluxes, regional oceanography, and detection of changes in ice volume trends. Here we analyze a simulated 1850-2100 GrIS SMB time series from the Community Earth System Model, currently the only global climate model that realistically simulates GrIS SMB. We find a significant increase in interannual integrated SMB variability over time, which we attribute primarily to a shift to a high-variability melt-dominated SMB regime due to GrIS ablation area growth. We find temporal increases to characteristic ablation and accumulation area-specific SMB variabilities to be of secondary importance. Since ablation area SMB variability is driven largely by variability in summer surface melt, variability in the climate processes regulating the energy fluxes that control melting will likely increasingly determine future GrIS SMB variability. Key Points Greenland Ice Sheet surface mass balance variability will grow in the future Increased variability is driven by anthropogenic climate forcing Increased variability is mainly driven by ablation area growth C1 [Fyke, Jeremy G.; Lipscomb, William; Price, Stephen] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Vizcaino, Miren] Delft Univ Technol, Dept Geosci & Remote Sensing, Delft, Netherlands. RP Fyke, JG (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM fyke@lanl.gov RI Price, Stephen /E-1568-2013 OI Price, Stephen /0000-0001-6878-2553 FU Office of Biological and Environmental Research within the U.S. Department of Energy Office of Science FX The authors thank William Sacks and Nathan Urban for useful contributions and Editor Julienne Stroeve, reviewer Jan Lenaerts, and another anonymous reviewer for many insightful critiques. This work was supported by the Earth System Modeling and Regional and Global Climate Modeling programs of the Office of Biological and Environmental Research within the U.S. Department of Energy Office of Science. NR 34 TC 7 Z9 7 U1 2 U2 10 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 JAN 28 PY 2014 VL 41 IS 2 BP 470 EP 475 DI 10.1002/2013GL058172 PG 6 WC Geosciences, Multidisciplinary SC Geology GA AD1JT UT WOS:000332991000039 ER PT J AU Song, FF Zhou, TJ Qian, Y AF Song, Fengfei Zhou, Tianjun Qian, Yun TI Responses of East Asian summer monsoon to natural and anthropogenic forcings in the 17 latest CMIP5 models SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE East Asian summer monsoon; natural forcing; anthropogenic forcing; CMIP5 ID LATE 1970S; CHINA; CLIMATE; VARIABILITY; SEA; PRECIPITATION; RAINFALL; AEROSOLS; SHIFT AB In this study, we examined the responses of East Asian summer monsoon (EASM) to natural (solar variability and volcanic aerosols) and anthropogenic (greenhouse gasses and aerosols) forcings simulated in the 17 latest Coupled Model Intercomparison Program phase 5 models with 105 realizations. The observed weakening trend of low-level EASM circulation during 1958-2001 is partly reproduced under all-forcing runs. A comparison of separate forcing experiments reveals that the aerosol forcing plays a primary role in driving the weakened low-level monsoon circulation. The preferential cooling over continental East Asia caused by aerosol affects the monsoon circulation through reducing the land-sea thermal contrast and results in higher sea level pressure over northern China. In the upper level, both natural forcing and aerosol forcing contribute to the observed southward shift of East Asian subtropical jet through changing the meridional temperature gradient. C1 [Song, Fengfei; Zhou, Tianjun] Chinese Acad Sci, Inst Atmospher Phys, State Key Lab Numer Modeling Atmospher Sci & Geop, Beijing, Peoples R China. [Song, Fengfei] Univ Chinese Acad Sci, Beijing, Peoples R China. [Zhou, Tianjun] Chinese Acad Sci, Climate Change Res Ctr, Beijing, Peoples R China. [Qian, Yun] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Zhou, TJ (reprint author), Chinese Acad Sci, Inst Atmospher Phys, State Key Lab Numer Modeling Atmospher Sci & Geop, Beijing, Peoples R China. EM Zhoutj@lasg.iap.ac.cn RI qian, yun/E-1845-2011; ZHOU, Tianjun/C-3195-2012 OI ZHOU, Tianjun/0000-0002-5829-7279 FU National Natural Science Foundation of China [41125017]; U.S. Department of Energy's Office of Science, Regional and Global Climate Modeling Program; DOE by Battelle Memorial Institute [DE-AC05-76RL01830] FX This work is supported by National Natural Science Foundation of China under grant 41125017. The contribution of Yun Qian in this study is supported by the U.S. Department of Energy's Office of Science as part of the Regional and Global Climate Modeling Program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. NR 27 TC 59 Z9 67 U1 8 U2 54 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 JAN 28 PY 2014 VL 41 IS 2 BP 596 EP 603 DI 10.1002/2013GL058705 PG 8 WC Geosciences, Multidisciplinary SC Geology GA AD1JT UT WOS:000332991000057 ER PT J AU Liu, S Aiken, AC Arata, C Dubey, MK Stockwell, CE Yokelson, RJ Stone, EA Jayarathne, T Robinson, AL DeMott, PJ Kreidenweis, SM AF Liu, Shang Aiken, Allison C. Arata, Caleb Dubey, Manvendra K. Stockwell, Chelsea E. Yokelson, Robert J. Stone, Elizabeth A. Jayarathne, Thilina Robinson, Allen L. DeMott, Paul J. Kreidenweis, Sonia M. TI Aerosol single scattering albedo dependence on biomass combustion efficiency: Laboratory and field studies SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE biomass burning; single scattering albedo; combustion efficiency; brown carbon; wavelength dependence; FLAME ID BURNING EMISSIONS; ABSORPTION; CARBON; FUELS AB Single scattering albedo () of fresh biomass burning (BB) aerosols produced from 92 controlled laboratory combustion experiments of 20 different woods and grasses was analyzed to determine the factors that control the variability in . Results show that varies strongly with fire-integrated modified combustion efficiency (MCEFI)higher MCEFI results in lower values and greater spectral dependence of . A parameterization of as a function of MCEFI for fresh BB aerosols is derived from the laboratory data and is evaluated by field observations from two wildfires. The parameterization suggests that MCEFI explains 60% of the variability in , while the 40% unexplained variability could be accounted for by other parameters such as fuel type. Our parameterization provides a promising framework that requires further validation and is amenable for refinements to predict with greater confidence, which is critical for estimating the radiative forcing of BB aerosols. Key Points Aerosol single scattering albedo depends most strongly on combustion efficiency Parameterization of single scattering albedo of fresh biomass burning aerosols Strong spectral variation of single scattering albedo is observed C1 [Liu, Shang; Aiken, Allison C.; Arata, Caleb; Dubey, Manvendra K.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Stockwell, Chelsea E.; Yokelson, Robert J.] Univ Montana, Dept Chem, Missoula, MT 59812 USA. [Stone, Elizabeth A.; Jayarathne, Thilina] Univ Iowa, Dept Chem, Iowa City, IA 52242 USA. [Robinson, Allen L.] Carnegie Mellon Univ, Ctr Atmospher Particle Studies, Pittsburgh, PA 15213 USA. [DeMott, Paul J.; Kreidenweis, Sonia M.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA. RP Dubey, MK (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM dubey@lanl.gov RI Liu, Shang/F-9085-2011; Yokelson, Robert/C-9971-2011; Dubey, Manvendra/E-3949-2010; Robinson, Allen/M-3046-2014; DeMott, Paul/C-4389-2011; Aiken, Allison/B-9659-2009; Kreidenweis, Sonia/E-5993-2011 OI Liu, Shang/0000-0002-3403-8651; Yokelson, Robert/0000-0002-8415-6808; Dubey, Manvendra/0000-0002-3492-790X; Robinson, Allen/0000-0002-1819-083X; DeMott, Paul/0000-0002-3719-1889; Aiken, Allison/0000-0001-5749-7626; Kreidenweis, Sonia/0000-0002-2561-2914 FU U.S. Department of Energy [F265, KP1701]; LANL-Laboratory Directed Research and Development; NSF [ATM-0936321]; NASA Earth Science Division [NNX12AH17G] FX This work was funded by the U.S. Department of Energy's Atmospheric System Research (project F265, KP1701, PI M.K.D.). A.C.A. thanks LANL-Laboratory Directed Research and Development for a Director's postdoctoral fellowship award. R.Y. and C.S. were supported primarily by NSF grant ATM-0936321. S.K. and P.D. were supported by NASA Earth Science Division award NNX12AH17G. We thank Bruce Anderson, Glenn Diskin, Stephanie Vay, and Armin Wisthaler for providing the optical and gas phase data of the Lake McKay wildfire. NR 27 TC 25 Z9 25 U1 4 U2 38 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 JAN 28 PY 2014 VL 41 IS 2 BP 742 EP 748 DI 10.1002/2013GL058392 PG 7 WC Geosciences, Multidisciplinary SC Geology GA AD1JT UT WOS:000332991000078 ER PT J AU Hadjiev, VG Iliev, MN Lv, B Ren, ZF Chu, CW AF Hadjiev, V. G. Iliev, M. N. Lv, B. Ren, Z. F. Chu, C. W. TI Anomalous vibrational properties of cubic boron arsenide SO PHYSICAL REVIEW B LA English DT Article ID ISOTOPE SCATTERING; SEMICONDUCTORS; PHONONS; DEPENDENCE; DIAMOND; SILICON; ALLOYS; GE AB We have studied cubic boron arsenide (BAs) by Raman spectroscopy and first-principles simulations. The Raman T-2 phonon involving B vibrations in (BAs)-B-nat shows a complex isotope two-mode behavior, not seen before in isotopically disordered materials. The majority isotope B-11 phonon at 704 cm(-1) obeys average isotopic mass dependence and mass disorder renormalization, whereas a band at 723 cm(-1) stems from predominately B-10 vibrations in (BAs)-B-nat. The observed lack of T-2 LO-TO splitting in both (BAs)-B-nat and (BAs)-B-11 and third-and fourth-order anharmonicity contributions compensating each other in the temperature dependence of the T-2 phonon are among the other curious vibrational properties of BAs. C1 [Hadjiev, V. G.; Iliev, M. N.; Lv, B.; Ren, Z. F.; Chu, C. W.] Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA. [Hadjiev, V. G.] Univ Houston, Dept Mech Engn, Houston, TX 77204 USA. [Iliev, M. N.; Lv, B.; Ren, Z. F.; Chu, C. W.] Univ Houston, Dept Phys, Houston, TX 77204 USA. [Chu, C. W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Hadjiev, VG (reprint author), Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA. RI ILIEV, MILKO/A-5941-2008; Hadjiev, Viktor/A-7069-2008 OI ILIEV, MILKO/0000-0002-9685-542X; Hadjiev, Viktor/0000-0001-8579-9357 FU State of Texas through the Texas Center for Superconductivity (TcSUH) at the University of Houston; U.S. Department of Energy [DOE DE-FG02-13ER46917]; U.S. Air Force Office of Scientific Research; T. L. L. Temple Foundation; John J. and Rebecca Moores Endowment FX This work was supported by the State of Texas through the Texas Center for Superconductivity (TcSUH) at the University of Houston. Z. F. Ren acknowledges the financial support from the U.S. Department of Energy under Contract No. DOE DE-FG02-13ER46917. B. Lv and C. W. Chu acknowledge the support from U.S. Air Force Office of Scientific Research, the T. L. L. Temple Foundation, and the John J. and Rebecca Moores Endowment. NR 22 TC 3 Z9 3 U1 2 U2 24 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JAN 28 PY 2014 VL 89 IS 2 AR 024308 DI 10.1103/PhysRevB.89.024308 PG 5 WC Physics, Condensed Matter SC Physics GA AC1VB UT WOS:000332283800006 ER PT J AU Zhang, XL Liao, JF AF Zhang, Xilin Liao, Jinfeng TI Hard probe of geometry and fluctuations in heavy ion collisions at root S-NN=0.2, 2.76, and 5.5 TeV SO PHYSICAL REVIEW C LA English DT Article ID QUARK-GLUON PLASMA; PB-PB COLLISIONS; CHARGED-PARTICLE PRODUCTION; LARGE TRANSVERSE-MOMENTUM; ROOT-S(NN)=2.76 TEV; HIGH-TEMPERATURE; LHC; SUPPRESSION; MATTER; QCD AB Background: A significant quenching of high energy jets was observed in the heavy ion collisions at the BNL Relativistic Heavy Ion Collider (RHIC) facility, and is now confirmed at the CERN Large Hadron Collider (LHC) facility. The RHIC plus LHC era provides a unique opportunity to study the jet-medium interaction that leads to the jet quenching, and the medium itself at different collision energies (medium temperatures). Purpose: We study the azimuthal anisotropy of jet quenching, to seek constraints on different models featuring distinct path-length and density dependences for jet energy loss, and to gain a better understanding of the medium. Methods: The models are fixed by using the RHIC data, and then applied to study the LHC case. A set of harmonic (Fourier) coefficients v(n) are extracted from the jet azimuthal anisotropy on a event-by-event basis. Results: The second harmonics v(2), mostly driven by the medium's geometry, can be used to differentiate jet quenching models. Other harmonics are also compared with the LHC (2.76 TeV) data. The predictions for future LHC (5.5 TeV) run are presented. Conclusions: We find that a too strong path-length dependence (e.g., cubic) is ruled out by the LHC v(2) data, while the model with a strong near-T-c enhancement for the jet-medium interaction describes the data very well. It is worth pointing out that the latter model expects a less color-opaque medium at LHC. C1 [Zhang, Xilin; Liao, Jinfeng] Indiana Univ, Dept Phys, Bloomington, IN 47408 USA. [Zhang, Xilin; Liao, Jinfeng] Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47408 USA. [Liao, Jinfeng] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. RP Zhang, XL (reprint author), Indiana Univ, Dept Phys, 2401 N Milo B Sampson Lane, Bloomington, IN 47408 USA. EM zhangx4@ohio.edu; liaoji@indiana.edu FU RIKEN BNL Research Center FX We thank U. Heinz, Z. Qiu, M. Gyulassy, G. Torrieri, B. Betz, A. Buzzatti, J. Jia, R. Lacey, F. Wang, D. Molnar, R. Fries, R. Rodriguez, and J. Casalderrey-Solana for discussions. We also thank the RIKEN BNL Research Center for partial support. NR 70 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 JAN 28 PY 2014 VL 89 IS 1 AR 014907 DI 10.1103/PhysRevC.89.014907 PG 7 WC Physics, Nuclear SC Physics GA AC0AW UT WOS:000332158100003 ER PT J AU Lees, JP Poireau, V Tisserand, V Grauges, E Palano, A Eigen, G Stugu, B Brown, DN Kerth, LT Kolomensky, YG Lee, MJ Lynch, G Koch, H Schroeder, T Hearty, C Mattison, TS McKenna, JA So, RY Khan, A Blinov, VE Buzykaev, AR Druzhinin, VP Golubev, VB Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Todyshev, KY Yushkov, AN Lankford, AJ Mandelkern, M Dey, B Gary, JW Long, O Campagnari, C Sevilla, MF Hong, TM Kovalskyi, D Richman, JD West, CA Eisner, AM Lockman, WS Schumm, BA Seiden, A Chao, DS Cheng, CH Echenard, B Flood, KT Hitlin, DG Miyashita, TS Ongmongkolkul, P Porter, FC Andreassen, R Huard, Z Meadows, BT Pushpawela, BG Sokoloff, MD Sun, L Bloom, PC Ford, WT Gaz, A Nauenberg, U Smith, JG Wagner, SR Ayad, R Toki, WH Spaan, B Schwierz, R Bernard, D Verderi, M Playfer, S Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Fioravanti, E Garzia, I Luppi, E Piemontese, L Santoro, V Calcaterra, A De Sangro, R Finocchiaro, G Martellotti, S Patteri, P Peruzzi, IM Piccolo, M Rama, M Zallo, A Contria, R Guido, E Lo Vetere, M Monge, MR Passaggio, S Patrignani, C Robutti, E Bhuyan, B Prasad, V Morii, M Adametz, A Uwer, U Lacker, HM Dauncey, PD Mallik, U Chen, C Cochran, J Meyer, WT Prell, S Ahmed, H Gritsan, AV Arnaud, N Davier, M Derkach, D Grosdidier, G Le Diberder, F Lutz, AM Malaescu, B Roudeau, P Stocchi, A Wormser, G Lange, DJ Wright, DM Coleman, JP Fry, JR Gabathuler, E Hutchcroft, DE Payne, DJ Touramanis, C Bevan, AJ Di Lodovico, F Sacco, R Cowan, G Bougher, J Brown, DN Davis, CL Denig, AG Fritsch, M Gradl, W Griessinger, K Hafner, A Prencipe, E Schubert, KR Barlow, RJ Lafferty, GD Cenci, R Hamilton, B Jawahery, A Roberts, DA Cowan, R Dujmic, D Sciolla, G Cheaib, R Patel, PM Robertson, SH Biassonia, P Neri, N Palombo, F Cremaldi, L Godang, R Sonnek, P Summers, DJ Simard, M Taras, P De Nardo, G Monorchio, D Onorato, G Sciacca, C Martinelli, M Raven, G Jessop, CP LoSecco, JM Honscheid, K Kass, R Brau, J Frey, R Sinev, NB Strom, D Torrence, E Feltresi, E Margoni, M Morandin, M Posocco, M Rotondo, M Simi, G Simonetto, F Stroili, R Akar, S Ben-Haim, E Bomben, M Bonneaud, GR Briand, H Calderini, G Chauveau, J Leruste, P Marchiori, G Ocariz, J Sitt, S Biasini, M Manoni, E Pacetti, S Rossi, A Angelini, C Batignani, G Bettarini, S Carpinelli, M Casarosa, G Cervelli, A Chrzaszcz, M Forti, F Giorgi, MA Lusiani, A Oberhof, B Paoloni, E Perez, A Rizzo, G Walsh, JJ Pegna, DL Olsen, J Smith, AJS Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Gioi, LL Piredda, G Buenger, C Gruenberg, O Hartmann, T Leddig, T Voss, C Waldi, R Adye, T Olaiya, EO Wilson, FF Emery, S Demonchenault, GH Vasseur, G Yeche, C Anulli, F Aston, D Bard, DJ Benitez, JF Cartaro, C Convery, MR Dorfan, J Dubois-Felsmann, GP Dunwoodie, W Ebert, M Field, RC Fulsom, BG Gabareen, AM Graham, MT Hast, C Innes, WR Kim, P Kocian, ML Leith, DWGS Lewis, P Lindemann, D Lindquist, B Luitz, S Luth, V Lynch, HL MacFarlane, DB Muller, DR Neal, H Nelson, S Perl, M Pulliam, T Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Snyder, A Su, D Sullivan, MK Va'vra, J Wagner, AP Wang, WF Wisniewski, WJ Wittgen, M Wright, DH Wulsin, HW Ziegler, V Park, W Purohit, MV White, RM Wilson, JR Randle-Conde, A Sekula, SJ Bellis, M Burchat, PR Puccio, EMT Alam, MS Ernst, JA Gorodeisky, R Guttman, N Peimer, DR Soffer, A Spanier, SM Ritchie, JL Ruland, AM Schwitters, RF Wray, BC Izen, JM Lou, XC Bianchi, F De Mori, F Filippi, A Gamba, D Zambito, S Lanceri, L Vitale, L Martinez-Vidal, F Oyanguren, A Villanueva-Perez, P Albert, J Banerjee, S Bernlochner, FU Choi, HHF King, GJ Kowalewski, R Lewczuk, MJ Lueck, T Nugent, IM Roney, JM Sobie, RJ Tasneem, N Gershon, TJ Harrison, PF Latham, TE Band, HR Dasu, S Pan, Y Prepost, R Wu, SL AF Lees, J. P. Poireau, V. Tisserand, V. Grauges, E. Palano, A. Eigen, G. Stugu, B. Brown, D. N. Kerth, L. T. Kolomensky, Yu. G. Lee, M. J. Lynch, G. Koch, H. Schroeder, T. Hearty, C. Mattison, T. S. McKenna, J. A. So, R. Y. Khan, A. Blinov, V. E. Buzykaev, A. R. Druzhinin, V. P. Golubev, V. B. Kravchenko, E. A. Onuchin, A. P. Serednyakov, S. I. Skovpen, Yu. I. Solodov, E. P. Todyshev, K. Yu. Yushkov, A. N. Lankford, A. J. Mandelkern, M. Dey, B. Gary, J. W. Long, O. Campagnari, C. Sevilla, M. Franco Hong, T. M. Kovalskyi, D. Richman, J. D. West, C. A. Eisner, A. M. Lockman, W. S. Schumm, B. A. Seiden, A. Chao, D. S. Cheng, C. H. Echenard, B. Flood, K. T. Hitlin, D. G. Miyashita, T. S. Ongmongkolkul, P. Porter, F. C. Andreassen, R. Huard, Z. Meadows, B. T. Pushpawela, B. G. Sokoloff, M. D. Sun, L. Bloom, P. C. Ford, W. T. Gaz, A. Nauenberg, U. Smith, J. G. Wagner, S. R. Ayad, R. Toki, W. H. Spaan, B. Schwierz, R. Bernard, D. Verderi, M. Playfer, S. Bettoni, D. Bozzi, C. Calabrese, R. Cibinetto, G. Fioravanti, E. Garzia, I. Luppi, E. Piemontese, L. Santoro, V. Calcaterra, A. De Sangro, R. Finocchiaro, G. Martellotti, S. Patteri, P. Peruzzi, I. M. Piccolo, M. Rama, M. Zallo, A. Contria, R. Guido, E. Vetere, M. Lo Monge, M. R. Passaggio, S. Patrignani, C. Robutti, E. Bhuyan, B. Prasad, V. Morii, M. Adametz, A. Uwer, U. Lacker, H. M. Dauncey, P. D. Mallik, U. Chen, C. Cochran, J. Meyer, W. T. Prell, S. Ahmed, H. Gritsan, A. V. Arnaud, N. Davier, M. Derkach, D. Grosdidier, G. Le Diberder, F. Lutz, A. M. Malaescu, B. Roudeau, P. Stocchi, A. Wormser, G. Lange, D. J. Wright, D. M. Coleman, J. P. Fry, J. R. Gabathuler, E. Hutchcroft, D. E. Payne, D. J. Touramanis, C. Bevan, A. J. Di Lodovico, F. Sacco, R. Cowan, G. Bougher, J. Brown, D. N. Davis, C. L. Denig, A. G. Fritsch, M. Gradl, W. Griessinger, K. Hafner, A. Prencipe, E. Schubert, K. R. Barlow, R. J. Lafferty, G. D. Cenci, R. Hamilton, B. Jawahery, A. Roberts, D. A. Cowan, R. Dujmic, D. Sciolla, G. Cheaib, R. Patel, P. M. Robertson, S. H. Biassonia, P. Neri, N. Palombo, F. Cremaldi, L. Godang, R. Sonnek, P. Summers, D. J. Simard, M. Taras, P. Nardo, G. De Monorchio, D. Onorato, G. Sciacca, C. Martinelli, M. Raven, G. Jessop, C. P. LoSecco, J. M. Honscheid, K. Kass, R. Brau, J. Frey, R. Sinev, N. B. Strom, D. Torrence, E. Feltresi, E. Margoni, M. Morandin, M. Posocco, M. Rotondo, M. Simi, G. Simonetto, F. Stroili, R. Akar, S. Ben-Haim, E. Bomben, M. Bonneaud, G. R. Briand, H. Calderini, G. Chauveau, J. Leruste, Ph. Marchiori, G. Ocariz, J. Sitt, S. Biasini, M. Manoni, E. Pacetti, S. Rossi, A. Angelini, C. Batignani, G. Bettarini, S. Carpinelli, M. Casarosa, G. Cervelli, A. Chrzaszcz, M. Forti, F. Giorgi, M. A. Lusiani, A. Oberhof, B. Paoloni, E. Perez, A. Rizzo, G. Walsh, J. J. Pegna, D. Lopes Olsen, J. Smith, A. J. S. Faccini, R. Ferrarotto, F. Ferroni, F. Gaspero, M. Gioi, L. Li Piredda, G. Buenger, C. Gruenberg, O. Hartmann, T. Leddig, T. Voss, C. Waldi, R. Adye, T. Olaiya, E. O. Wilson, F. F. Emery, S. Demonchenault, G. Hamel Vasseur, G. Yeche, Ch. Anulli, F. Aston, D. Bard, D. J. Benitez, J. F. Cartaro, C. Convery, M. R. Dorfan, J. Dubois-Felsmann, G. P. Dunwoodie, W. Ebert, M. Field, R. C. Fulsom, B. G. Gabareen, A. M. Graham, M. T. Hast, C. Innes, W. R. Kim, P. Kocian, M. L. Leith, D. W. G. S. Lewis, P. Lindemann, D. Lindquist, B. Luitz, S. Luth, V. Lynch, H. L. MacFarlane, D. B. Muller, D. R. Neal, H. Nelson, S. Perl, M. Pulliam, T. Ratcliff, B. N. Roodman, A. Salnikov, A. A. Schindler, R. H. Snyder, A. Su, D. Sullivan, M. K. Va'vra, J. Wagner, A. P. Wang, W. F. Wisniewski, W. J. Wittgen, M. Wright, D. H. Wulsin, H. W. Ziegler, V. Park, W. Purohit, M. V. White, R. M. Wilson, J. R. Randle-Conde, A. Sekula, S. J. Bellis, M. Burchat, P. R. Puccio, E. M. T. Alam, M. S. Ernst, J. A. Gorodeisky, R. Guttman, N. Peimer, D. R. Soffer, A. Spanier, S. M. Ritchie, J. L. Ruland, A. M. Schwitters, R. F. Wray, B. C. Izen, J. M. Lou, X. C. Bianchi, F. De Mori, F. Filippi, A. Gamba, D. Zambito, S. Lanceri, L. Vitale, L. Martinez-Vidal, F. Oyanguren, A. Villanueva-Perez, P. Albert, J. Banerjee, Sw. Bernlochner, F. U. Choi, H. H. F. King, G. J. Kowalewski, R. Lewczuk, M. J. Lueck, T. Nugent, I. M. Roney, J. M. Sobie, R. J. Tasneem, N. Gershon, T. J. Harrison, P. F. Latham, T. E. Band, H. R. Dasu, S. Pan, Y. Prepost, R. Wu, S. L. CA BaBar Collaboration TI Search for lepton-number violating B+ -> X(-)l(+)l '(+) decays SO PHYSICAL REVIEW D LA English DT Article ID HIGH-ENERGY-PHYSICS; BABAR DETECTOR; JETS AB We report on a search for eleven lepton-number violating processes B+ -> X(-)l(+)l'(+) with X- = K-, pi(-), rho(-), K*(-), or D- and l(+)/l'(+) = e(+) or mu(+), using a sample of 471 +/- 3 million B (B) over bar events collected with the BABAR detector at the PEP-II e(+)e(-) collider at the SLAC National Accelerator Laboratory. We find no evidence for any of these modes and place 90% confidence level upper limits on their branching fractions in the range (1.5-26) x 10(-7). C1 [Lees, J. P.; Poireau, V.; Tisserand, V.] Univ Savoie, CNRS, IN2P3, LAPP, F-74941 Annecy Le Vieux, France. [Grauges, E.] Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain. [Palano, A.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Palano, A.] Univ Bari, Dipartmento Fis, I-70126 Bari, Italy. [Eigen, G.; Stugu, B.] Univ Bergen, Inst Phys, N-5007 Bergen, Norway. [Brown, D. N.; Kerth, L. T.; Kolomensky, Yu. G.; Lee, M. J.; Lynch, G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Brown, D. N.; Kerth, L. T.; Kolomensky, Yu. G.; Lee, M. J.; Lynch, G.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Koch, H.; Schroeder, T.] Ruhr Univ Bochum, Inst Expt Phys 1, D-44780 Bochum, Germany. [Hearty, C.; Mattison, T. S.; McKenna, J. A.; So, R. Y.] Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. 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F.; Cartaro, C.; Convery, M. R.; Dorfan, J.; Dubois-Felsmann, G. P.; Dunwoodie, W.; Ebert, M.; Field, R. C.; Fulsom, B. G.; Gabareen, A. M.; Graham, M. T.; Hast, C.; Innes, W. R.; Kim, P.; Kocian, M. L.; Leith, D. W. G. S.; Lewis, P.; Lindemann, D.; Lindquist, B.; Luitz, S.; Luth, V.; Lynch, H. L.; MacFarlane, D. B.; Muller, D. R.; Neal, H.; Nelson, S.; Perl, M.; Pulliam, T.; Ratcliff, B. N.; Roodman, A.; Salnikov, A. A.; Schindler, R. H.; Snyder, A.; Su, D.; Sullivan, M. K.; Va'vra, J.; Wagner, A. P.; Wang, W. F.; Wisniewski, W. J.; Wittgen, M.; Wright, D. H.; Wulsin, H. W.; Ziegler, V.] SLAC Natl Accelerator Lab, Stanford, CA 94309 USA. [Park, W.; Purohit, M. V.; White, R. M.; Wilson, J. R.] Univ S Carolina, Columbia, SC 29208 USA. [Randle-Conde, A.; Sekula, S. J.] So Methodist Univ, Dallas, TX 75275 USA. [Bellis, M.; Burchat, P. R.; Puccio, E. M. T.] Stanford Univ, Stanford, CA 94305 USA. [Alam, M. S.; Ernst, J. A.] SUNY Albany, Albany, NY 12222 USA. [Gorodeisky, R.; Guttman, N.; Peimer, D. R.; Soffer, A.] Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Spanier, S. M.] Univ Tennessee, Knoxville, TN 37996 USA. [Ritchie, J. L.; Ruland, A. M.; Schwitters, R. F.; Wray, B. C.] Univ Texas Austin, Austin, TX 78712 USA. [Izen, J. M.; Lou, X. C.] Univ Texas Dallas, Richardson, TX 75083 USA. [Bianchi, F.; De Mori, F.; Filippi, A.; Gamba, D.; Zambito, S.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Bianchi, F.; De Mori, F.; Gamba, D.; Zambito, S.] Univ Turin, Dipartimento Fis, I-10125 Turin, Italy. [Lanceri, L.; Vitale, L.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Lanceri, L.; Vitale, L.] Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. [Martinez-Vidal, F.; Oyanguren, A.; Villanueva-Perez, P.] Univ Valencia CSIC, IFIC, E-46071 Valencia, Spain. [Albert, J.; Banerjee, Sw.; Bernlochner, F. U.; Choi, H. H. F.; King, G. J.; Kowalewski, R.; Lewczuk, M. J.; Lueck, T.; Nugent, I. M.; Roney, J. M.; Sobie, R. J.; Tasneem, N.] Univ Victoria, Victoria, BC V8W 3P6, Canada. [Gershon, T. J.; Harrison, P. F.; Latham, T. E.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Band, H. R.; Dasu, S.; Pan, Y.; Prepost, R.; Wu, S. L.] Univ Wisconsin, Madison, WI 53706 USA. [Peruzzi, I. M.] Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. [Carpinelli, M.] Univ Sassari, I-07100 Sassari, Italy. [Anulli, F.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. RP Lees, JP (reprint author), Univ Savoie, CNRS, IN2P3, LAPP, F-74941 Annecy Le Vieux, France. RI Calcaterra, Alessandro/P-5260-2015; Morandin, Mauro/A-3308-2016; Lusiani, Alberto/A-3329-2016; Di Lodovico, Francesca/L-9109-2016; Frey, Raymond/E-2830-2016; Lo Vetere, Maurizio/J-5049-2012; Monge, Maria Roberta/G-9127-2012; Lusiani, Alberto/N-2976-2015; Forti, Francesco/H-3035-2011; Patrignani, Claudia/C-5223-2009; Oyanguren, Arantza/K-6454-2014; Luppi, Eleonora/A-4902-2015; White, Ryan/E-2979-2015; Kravchenko, Evgeniy/F-5457-2015; Calabrese, Roberto/G-4405-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015 OI Calcaterra, Alessandro/0000-0003-2670-4826; Morandin, Mauro/0000-0003-4708-4240; Lusiani, Alberto/0000-0002-6876-3288; Di Lodovico, Francesca/0000-0003-3952-2175; Frey, Raymond/0000-0003-0341-2636; Lo Vetere, Maurizio/0000-0002-6520-4480; Monge, Maria Roberta/0000-0003-1633-3195; Lusiani, Alberto/0000-0002-6876-3288; Forti, Francesco/0000-0001-6535-7965; Patrignani, Claudia/0000-0002-5882-1747; Oyanguren, Arantza/0000-0002-8240-7300; Luppi, Eleonora/0000-0002-1072-5633; White, Ryan/0000-0003-3589-5900; Calabrese, Roberto/0000-0002-1354-5400; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975 FU SLAC; DOE (USA); NSF (USA); NSERC (Canada); CEA (France); CNRS-IN2P3 (France); BMBF (Germany); DFG (Germany); INFN (Italy); FOM (Netherlands); NFR (Norway); MES (Russia); MICIIN (Spain); STFC (United Kingdom); Marie Curie EIF (European Union); A. P. Sloan Foundation (USA) FX We are grateful for the excellent luminosity and machine conditions provided by our PEP-II colleagues and for the substantial dedicated effort from the computing organizations that support BABAR. The collaborating institutions wish to thank SLAC for its support and kind hospitality. This work is supported by DOE and NSF (USA), NSERC (Canada), CEA and CNRS-IN2P3 (France), BMBF and DFG (Germany), INFN (Italy), FOM (Netherlands), NFR (Norway), MES (Russia), MICIIN (Spain), and STFC (United Kingdom). Individuals have received support from the Marie Curie EIF (European Union) and the A. P. Sloan Foundation (USA). NR 29 TC 10 Z9 10 U1 0 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD JAN 28 PY 2014 VL 89 IS 1 AR 011102 DI 10.1103/PhysRevD.89.011102 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AB6BA UT WOS:000331871200001 ER PT J AU Das, T AF Das, Tanmoy TI Imprints of spin-orbit density wave in the hidden-order state of URu2Si2 SO PHYSICAL REVIEW B LA English DT Article ID TOPOLOGICAL INSULATORS; SYMMETRY-BREAKING; PHASE-TRANSITION; EXCITATIONS; LATTICE; HALL AB The mysterious second-order quantum phase transition, commonly attributed to the "hidden-order" (HO) state, in heavy-fermion metal URu2Si2 exhibits a number of paradoxical electronic and magnetic properties which cannot be associated with any conventional order parameter. We characterize and reconcile these exotic properties of the HO state based on a spin-orbit density wave order (SODW), constructed on the basis of a realistic density functional theory band structure. We quantify the nature of the gapped electronic and magnetic excitation spectrum, in agreement with measurements, while the magnetic moment is calculated to be zero owing to the spin-orbit coupling induced time-reversal invariance. Furthermore, a new collective mode in the spin-1 excitation spectrum is predicted to localize at zero momentum transfer in the HO state which can be visualized, for example, by electron spin resonance at zero magnetic field or polarized inelastic neutron scattering measurements. The results demonstrate that the concomitant broken and invariant symmetries protected SODW order not only provides insights into numerous nontrivial hidden-order phenomena, but also offers a parallel laboratory to the formation of a topologically protected quantum state beyond the quantum spin Hall state and Weyl semimetals. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Das, T (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. FU US DOE through the Office of Science (BES); LDRD Program FX The author acknowledges valuable discussion with A. Leggett, J. Mydosh, P. Coleman, M. J. Graf, P. Woelfle, and J.-H. She. The author expresses gratitude to A. Leggett for suggesting the study of ESR for the SODW order parameter, and to Jian-Xin Zhu for sharing some of the first-principles band structure files for the WIEN2K calculation. The work is supported by the US DOE through the Office of Science (BES) and the LDRD Program and facilitated by NERSC computing allocation. NR 38 TC 14 Z9 14 U1 3 U2 14 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 JAN 28 PY 2014 VL 89 IS 4 AR 045135 DI 10.1103/PhysRevB.89.045135 PG 7 WC Physics, Condensed Matter SC Physics GA AC1VM UT WOS:000332284900001 ER PT J AU Muller, B Wu, SY Yang, DL AF Mueller, Berndt Wu, Shang-Yu Yang, Di-Lun TI Elliptic flow from thermal photons with magnetic field in holography SO PHYSICAL REVIEW D LA English DT Article ID STRING THEORY; GRAVITY; QCD AB We compute the elliptic flow v(2) of thermal photons in a strongly coupled plasma with constant magnetic field via gauge/gravity duality. The D3/D7 embedding is applied to generate the contributions from massive quarks. By considering the cases in 2 + 1 flavor super Yang-Mills analogous to the photon production in quark gluon plasma, we obtain the thermal photon v(2), which is qualitatively consistent with the direct photon v(2) measured at the relativistic heavy ion collider at intermediate energy. However, due to the simplified setup, the thermal photon v(2) in our model should be regarded as the upper bound for the v(2) generated by solely a magnetic field in the strongly coupled scenario. C1 [Mueller, Berndt; Yang, Di-Lun] Duke Univ, Dept Phys, Durham, NC 27708 USA. [Mueller, Berndt] Brookhaven Natl Lab, Upton, NY 11973 USA. [Wu, Shang-Yu] Natl Chiao Tung Univ, Inst Phys, Hsinchu 300, Taiwan. [Wu, Shang-Yu] Natl Ctr Theoret Sci, Hsinchu 300, Taiwan. [Wu, Shang-Yu] Natl Chiao Tung Univ, Yau Shing Tung Ctr, Hsinchu 300, Taiwan. RP Muller, B (reprint author), Duke Univ, Dept Phys, Durham, NC 27708 USA. EM muller@phy.duke.edu; loganwu@gmail.com; dy29@phy.duke.edu FU DOE [DE-FG02-05ER41367]; National Science Council (NSC) [101-2811-M-009-015]; National Center for Theoretical Science, Taiwan [102-2112-M-033-003-MY4] FX The authors thank S. Cao and G. Qin for useful discussions. This material is based upon work supported by DOE Grant No. DE-FG02-05ER41367 (B. M. and D. L. Y.), the National Science Council (NSC Grant No. 101-2811-M-009-015) and the National Center for Theoretical Science (Grant No. 102-2112-M-033-003-MY4), Taiwan (S. Y. W.). NR 42 TC 23 Z9 23 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 JAN 28 PY 2014 VL 89 IS 2 AR 026013 DI 10.1103/PhysRevD.89.026013 PG 6 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AB6BJ UT WOS:000331872100015 ER PT J AU Baldasseroni, C Palsson, GK Bordel, C Valencia, S Unal, AA Kronast, F Nemsak, S Fadley, CS Borchers, JA Maranville, BB Hellman, F AF Baldasseroni, C. Palsson, G. K. Bordel, C. Valencia, S. Unal, A. A. Kronast, F. Nemsak, S. Fadley, C. S. Borchers, J. A. Maranville, B. B. Hellman, F. TI Effect of capping material on interfacial ferromagnetism in FeRh thin films SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PHASE-TRANSITION; MAGNETOOPTICAL PROPERTIES; MAGNETIC TRANSITION; ALLOY FERH; SURFACE; SEGREGATION AB The role of the capping material in stabilizing a thin ferromagnetic layer at the interface between a FeRh film and cap in the nominally antiferromagnetic phase at room temperature was studied by x-ray magnetic circular dichroism in photoemission electron microscopy and polarized neutron reflectivity. These techniques were used to determine the presence or absence of interfacial ferromagnetism (FM) in films capped with different oxides and metals. Chemically stable oxide caps do not generate any interfacial FM while the effect of metallic caps depends on the element, showing that interfacial FM is due to metallic interdiffusion and the formation of a ternary alloy with a modified antiferromagnetic to ferromagnetic transition temperature. (C) 2014 AIP Publishing LLC. C1 [Baldasseroni, C.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Palsson, G. K.; Nemsak, S.; Fadley, C. S.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Palsson, G. K.; Bordel, C.; Nemsak, S.; Fadley, C. S.; Hellman, F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Bordel, C.; Hellman, F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bordel, C.] Univ Rouen, GPM, CNRS, UMR 6634, F-76801 St Etienne, France. [Valencia, S.; Unal, A. A.; Kronast, F.] Helmholtz Zentrum Berlin Mat & Energie GmbH, D-12489 Berlin, Germany. [Borchers, J. A.; Maranville, B. B.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Baldasseroni, C (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM cbaldasseroni@berkeley.edu RI Valencia, Sergio/D-3615-2015 OI Valencia, Sergio/0000-0002-3912-5797 FU magnetism program at the Lawrence Berkeley National Laboratory; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering [DE-AC02-05CH11231] FX We thank A. X. Gray, A. M. Kaiser, J. Herrero-Albillos, and C. M. Schneider for help with the PEEM measurements, J. Karel, A. Greer, G. Conti, S. Ueda, Y. Yamashita, M. Kobata, A. Yang, O. Sakata, and K. Kobayashi for hard x-ray photoemission measurements, and C. Antonakos, A. Ceballos, and A. Scholl for additional PEEM measurements at the ALS. This work was supported by the magnetism program at the Lawrence Berkeley National Laboratory, funded by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering under Contract No. DE-AC02-05CH11231. NR 43 TC 13 Z9 13 U1 3 U2 40 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JAN 28 PY 2014 VL 115 IS 4 AR 043919 DI 10.1063/1.4862961 PG 9 WC Physics, Applied SC Physics GA AA6LW UT WOS:000331210800088 ER PT J AU Brown, JL Alexander, CS Asay, JR Vogler, TJ Dolan, DH Belof, JL AF Brown, J. L. Alexander, C. S. Asay, J. R. Vogler, T. J. Dolan, D. H. Belof, J. L. TI Flow strength of tantalum under ramp compression to 250 GPa SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID EQUATION-OF-STATE; CONSTITUTIVE MODEL; STRAIN RATES; PRESSURE; ALUMINUM; STRESS; INTERFEROMETER; WAVES; RANGE; MBAR AB A magnetic loading technique was used to study the strength of polycrystalline tantalum ramp compressed to peak stresses between 60 and 250GPa. Velocimetry was used to monitor the planar ramp compression and release of various tantalum samples. A wave profile analysis was then employed to determine the pressure-dependence of the average shear stress upon unloading at strain rates on the order of 10(5) s(-1). Experimental uncertainties were quantified using a Monte Carlo approach, where values of 5% in the estimated pressure and 9-17% in the shear stress were calculated. The measured deviatoric response was found to be in good agreement with existing lower pressure strength data as well as several strength models. Significant deviations between the experiments and models, however, were observed at higher pressures where shear stresses of up to 5GPa were measured. Additionally, these data suggest a significant effect of the initial material processing on the high pressure strength. Heavily worked or sputtered samples were found to support up to a 30% higher shear stress upon release than an annealed material. (C) 2014 AIP Publishing LLC. C1 [Brown, J. L.; Alexander, C. S.; Asay, J. R.; Dolan, D. H.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Vogler, T. J.] Sandia Natl Labs, Livermore, CA 94450 USA. [Belof, J. L.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Brown, JL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX 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 59 TC 16 Z9 18 U1 3 U2 21 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 JAN 28 PY 2014 VL 115 IS 4 AR 043530 DI 10.1063/1.4863463 PG 15 WC Physics, Applied SC Physics GA AA6LW UT WOS:000331210800045 ER PT J AU Fang, HZ Shang, SL Wang, Y Liu, ZK Alfonso, D Alman, DE Shin, YK Zou, CY van Duin, ACT Lei, YK Wang, GF AF Fang, H. Z. Shang, S. L. Wang, Y. Liu, Z. K. Alfonso, D. Alman, D. E. Shin, Y. K. Zou, C. Y. van Duin, A. C. T. Lei, Y. K. Wang, G. F. TI First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID BRILLOUIN-ZONE INTEGRATIONS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; MOLECULAR-DYNAMICS; OXIDATION; SYSTEMS; POINTS; NI AB This paper is concerned with the prediction of oxygen diffusivities in fcc nickel from first-principles calculations and large-scale atomic simulations. Considering only the interstitial octahedral to tetrahedral to octahedral minimum energy pathway for oxygen diffusion in fcc lattice, greatly underestimates the migration barrier and overestimates the diffusivities by several orders of magnitude. The results indicate that vacancies in the Ni-lattice significantly impact the migration barrier of oxygen in nickel. Incorporation of the effect of vacancies results in predicted diffusivities consistent with available experimental data. First-principles calculations show that at high temperatures the vacancy concentration is comparable to the oxygen solubility, and there is a strong binding energy and a redistribution of charge density between the oxygen atom and vacancy. Consequently, there is a strong attraction between the oxygen and vacancy in the Ni lattice, which impacts diffusion. (C) 2014 AIP Publishing LLC. C1 [Fang, H. Z.; Shang, S. L.; Wang, Y.; Liu, Z. K.; Alfonso, D.; Alman, D. E.; Shin, Y. K.; Zou, C. Y.; van Duin, A. C. T.; Lei, Y. K.; Wang, G. F.] US DOE, Natl Energy Technol Lab Reg Univ Alliance, Pittsburgh, PA 15236 USA. [Fang, H. Z.; Shang, S. L.; Wang, Y.; Liu, Z. K.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Alfonso, D.; Alman, D. E.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Shin, Y. K.; Zou, C. Y.; van Duin, A. C. T.] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Lei, Y. K.; Wang, G. F.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. RP Fang, HZ (reprint author), US DOE, Natl Energy Technol Lab Reg Univ Alliance, Pittsburgh, PA 15236 USA. RI Shang, Shun-Li/A-6564-2009; Fang, Huazhi/L-6126-2013; Wang, Yi/D-1032-2013; Liu, Zi-Kui/A-8196-2009; OI Shang, Shun-Li/0000-0002-6524-8897; Fang, Huazhi/0000-0002-4561-6971; Liu, Zi-Kui/0000-0003-3346-3696; Lei, Yinkai/0000-0002-0200-1491 FU Cross-Cutting Technologies Program at the National Energy Technology Laboratory; University of Pittsburgh; Pennsylvania State University by NETL through the RES [DE-FE00400]; NSF [OCI-0821527]; Office of Science of the US DOE [DE-AC02-05CH11231]; United States Government FX This work was funded by the Cross-Cutting Technologies Program at the National Energy Technology Laboratory, managed by Susan Maley (Technology Manager) and Charles Miller (Technical Monitor). The Research was executed through NETL Office of Research and Development's Innovative Process Technologies (IPT) Field Work Proposal. This work was financially supported at the University of Pittsburgh and The Pennsylvania State University by NETL through the RES Contract No. DE-FE00400. First-principles calculations were carried out partially on the CyberStar cluster at the Pennsylvania State University funded by NSF through Grant No. OCI-0821527, and partially on the resources of NERSC supported by the Office of Science of the US DOE under the Contract No. DE-AC02-05CH11231. 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 49 TC 13 Z9 13 U1 2 U2 39 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 JAN 28 PY 2014 VL 115 IS 4 AR 043501 DI 10.1063/1.4861380 PG 8 WC Physics, Applied SC Physics GA AA6LW UT WOS:000331210800016 ER PT J AU Jin, K Zhang, Y Zhu, Z Grove, DA Xue, H Xue, J Weber, WJ AF Jin, K. Zhang, Y. Zhu, Z. Grove, D. A. Xue, H. Xue, J. Weber, W. J. TI Electronic stopping powers for heavy ions in SiC and SiO2 SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID LEVEL NUCLEAR-WASTE; SILICON-CARBIDE; RANGE PROFILES; IMMOBILIZATION; SIMULATION; DETECTOR; SURFACE; SOLIDS; CODE; AU AB Accurate information on electronic stopping power is fundamental for broad advances in materials science, electronic industry, space exploration, and sustainable energy technologies. In the case of slow heavy ions in light targets, current codes and models provide significantly inconsistent predictions, among which the Stopping and Range of Ions in Matter (SRIM) code is the most commonly used one. Experimental evidence, however, has demonstrated considerable errors in the predicted ion and damage profiles based on SRIM stopping powers. In this work, electronic stopping powers for Cl, Br, I, and Au ions are experimentally determined in two important functional materials, SiC and SiO2, based on a single ion technique, and new electronic stopping power values are derived over the energy regime from 0 to 15 MeV, where large deviations from the SRIM predictions are observed. As an experimental validation, Rutherford backscattering spectrometry (RBS) and secondary ion mass spectrometry (SIMS) are utilized to measure the depth profiles of implanted Au ions in SiC for energies from 700 keV to 15MeV. The measured ion distributions by both RBS and SIMS are considerably deeper than the SRIM predictions, but agree well with predictions based on our derived stopping powers. (C) 2014 AIP Publishing LLC. C1 [Jin, K.; Zhang, Y.; Xue, H.; Weber, W. J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Zhang, Y.; Weber, W. J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Zhu, Z.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Grove, D. A.] Luxel Corp, Friday Harbor, WA 98250 USA. [Xue, J.] Peking Univ, Sch Phys, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. RP Zhang, Y (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM Zhangy1@ornl.gov RI Weber, William/A-4177-2008; Zhu, Zihua/K-7652-2012 OI Weber, William/0000-0002-9017-7365; FU U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division; Department of Energy's Office of Biological and Environmental Research FX This work was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Science and Engineering Division. Some experiments were performed at 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. NR 60 TC 11 Z9 11 U1 1 U2 31 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 JAN 28 PY 2014 VL 115 IS 4 AR 044903 DI 10.1063/1.4861642 PG 11 WC Physics, Applied SC Physics GA AA6LW UT WOS:000331210800125 ER PT J AU Katakam, S Devaraj, A Bowden, M Santhanakrishnan, S Smith, C Ramanujan, RV Thevuthasan, S Banerjee, R Dahotre, NB AF Katakam, Shravana Devaraj, Arun Bowden, Mark Santhanakrishnan, S. Smith, Casey Ramanujan, R. V. Thevuthasan, Suntharampillai Banerjee, Rajarshi Dahotre, Narendra B. TI Laser assisted crystallization of ferromagnetic amorphous ribbons: A multimodal characterization and thermal model study SO JOURNAL OF APPLIED PHYSICS LA English DT Correction C1 [Katakam, Shravana; Santhanakrishnan, S.; Smith, Casey; Banerjee, Rajarshi; Dahotre, Narendra B.] Univ N Texas, Dept Mat Sci & Engn, Lab Laser Mat Proc & Synth, Denton, TX 76207 USA. [Devaraj, Arun; Bowden, Mark; Thevuthasan, Suntharampillai] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Ramanujan, R. V.] Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore. RP Katakam, S (reprint author), Univ N Texas, Dept Mat Sci & Engn, Lab Laser Mat Proc & Synth, Denton, TX 76207 USA. RI Ramanujan, Raju/A-2245-2011 NR 1 TC 1 Z9 1 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JAN 28 PY 2014 VL 115 IS 4 AR 049903 DI 10.1063/1.4864065 PG 1 WC Physics, Applied SC Physics GA AA6LW UT WOS:000331210800140 ER PT J AU Nlebedim, IC Melikhov, Y Jiles, DC AF Nlebedim, I. C. Melikhov, Y. Jiles, D. C. TI Temperature dependence of magnetic properties of heat treated cobalt ferrite SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID STRESS SENSOR; NANOPARTICLES; COALXFE2-XO4 AB This study demonstrates the effectiveness of heat treatment in optimizing the magnetic properties of cobalt ferrite, compared to other methods such as cation substitution. It also shows how the magnetic properties of the heat treated cobalt ferrite vary under different temperature conditions. Saturation magnetization increased more due to heat treatment than due to Zn-substitution; a cation substitution that is known to result in high saturation magnetization in ferrites. A remarkable observation is that the increase in the saturation magnetization due to heat treatment was not at the expense of Curie temperature as was often reported for cation substituted materials. The observed variations in the magnetic properties were explained on the basis of cation redistribution arising as a result of the heat treatment. (C) 2014 AIP Publishing LLC. C1 [Nlebedim, I. C.; Jiles, D. C.] US DOE, Ames Lab, Ames, IA 50011 USA. [Nlebedim, I. C.; Jiles, D. C.] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA. [Melikhov, Y.] Cardiff Univ, Sch Engn, Wolfson Ctr Magnet, Cardiff CF24 3AA, S Glam, Wales. RP Nlebedim, IC (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. FU U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division.; U.S. DOE by Iowa State University [DE-AC02-07CH11358] FX This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. The research was performed at the Ames Laboratory, which is operated for the U.S. DOE by Iowa State University under Contract No. DE-AC02-07CH11358. NR 22 TC 9 Z9 9 U1 1 U2 16 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JAN 28 PY 2014 VL 115 IS 4 AR 043903 DI 10.1063/1.4862300 PG 4 WC Physics, Applied SC Physics GA AA6LW UT WOS:000331210800072 ER PT J AU Reeves, RV Adams, DP AF Reeves, Robert V. Adams, David P. TI Reaction instabilities in Co/Al nanolaminates due to chemical kinetics variation over micron-scales SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID HIGH-TEMPERATURE SYNTHESIS; GASLESS COMBUSTION; EXOTHERMIC REACTIONS; MULTILAYER FOILS; TRANSITION; SHS AB The reaction front dynamics of Co/Al reactive nanolaminates were studied as a function of the initial temperature of the unreacted material. Sample geometries that exhibit stable reaction fronts as well as geometries that present "spinning" reaction front instabilities were investigated at initial temperatures ranging from room temperature to 200 degrees C. It was found that reactions in samples with small reactant periodicities (<66.4 nm) were stable at all temperatures, reaction in large periodicity samples (>= 100 nm) were unstable at all temperatures, and reactions in samples with intermediate periodicities transitioned from unstable behavior to stable behavior with increasing initial temperature. The results suggest that behaviors typical of two types of reaction kinetics are present in unstable reaction fronts: slow, diffusion-limited kinetics in the regions between transverse reaction bands, and a faster mechanism at the leading edge of the transverse bands. (C) 2014 AIP Publishing LLC. C1 [Reeves, Robert V.; Adams, David P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Reeves, RV (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rvreeve@sandia.gov FU Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to acknowledge Eric Jones, Jr. for the sputter deposition of the subject films and Mark A. Rodriguez for the XRD analysis. This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 32 TC 5 Z9 5 U1 0 U2 14 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JAN 28 PY 2014 VL 115 IS 4 AR 044911 DI 10.1063/1.4863339 PG 10 WC Physics, Applied SC Physics GA AA6LW UT WOS:000331210800133 ER PT J AU Bousso, R AF Bousso, Raphael TI Violations of the Equivalence Principle by a Nonlocally Reconstructed Vacuum at the Black Hole Horizon SO PHYSICAL REVIEW LETTERS LA English DT Article AB If information escapes from an evaporating black hole, then field modes just outside the horizon must be thermally entangled with distant Hawking radiation. But for an infalling observer to find empty space at the horizon, the same modes would have to be entangled with the black hole interior. Thus, unitarity appears to require a "firewall" at the horizon. Identifying the interior with the distant radiation promises to resolve the entanglement conflict and restore the vacuum. But the map must adjust for any interactions, or else the firewall will reappear if the Hawking radiation scatters off the cosmic microwave background. Such a map produces a "frozen vacuum," a phenomenon that is arguably worse than a firewall. An infalling observer is unable to excite the vacuum near the horizon. This allows the horizon to be locally detected and so violates the equivalence principle. C1 [Bousso, Raphael] Univ Calif Berkeley, Ctr Theoret Phys, Berkeley, CA 94720 USA. [Bousso, Raphael] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bousso, Raphael] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Bousso, R (reprint author), Univ Calif Berkeley, Ctr Theoret Phys, Berkeley, CA 94720 USA. FU Berkeley Center for Theoretical Physics; National Science Foundation [1002399, 0855653, 0756174]; fqxi grant [RFP3-1004]; New Frontiers in Astronomy and Cosmology; U.S. Department of Energy [DE-AC02-05CH11231] FX I am indebted to J. Maldacena and L. Susskind for extensive discussions. This work was supported by the Berkeley Center for Theoretical Physics, by the National Science Foundation (Grants No. 1002399, No. 0855653, and No. 0756174), by fqxi grant RFP3-1004, by "New Frontiers in Astronomy and Cosmology," and by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 14 TC 21 Z9 21 U1 0 U2 3 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 JAN 28 PY 2014 VL 112 IS 4 AR 041102 DI 10.1103/PhysRevLett.112.041102 PG 5 WC Physics, Multidisciplinary SC Physics GA AB7CL UT WOS:000331946800004 PM 24580432 ER PT J AU Bridges, F Keiber, T Juhas, P Billinge, SJL Sutton, L Wilde, J Kowach, GR AF Bridges, F. Keiber, T. Juhas, P. Billinge, S. J. L. Sutton, L. Wilde, J. Kowach, Glen R. TI Local Vibrations and Negative Thermal Expansion in ZrW2O8 SO PHYSICAL REVIEW LETTERS LA English DT Article ID DENSITY-OF-STATES; COMPOUND ZRW2O8; SCATTERING; DIFFRACTION; ORIGIN AB We present an x-ray pair distribution function (XPDF) analysis and extended x-ray absorption fine structure (EXAFS) data for ZrW2O8 (10-500 K) with a focus on the stiffness of the Zr-O-W linkage. The XPDF is highly sensitive to W-Zr and W-W correlations, but much less so to O-O or W-O correlations. The Zr-W peak in the XPDF data has a weak temperature dependence and, hence, this linkage is relatively stiff and does not permit bending of the Zr-O-W link. We propose that the low energy vibrational modes that lead to negative thermal expansion involve correlated rotations of ZrO6 octahedra that produce large < 111 > translations of the WO4 tetrahedra, rather than a transverse motion of O atoms that imply a flexible Zr-O-W linkage. C1 [Bridges, F.; Keiber, T.; Sutton, L.; Wilde, J.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. [Juhas, P.; Billinge, S. J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Billinge, S. J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Kowach, Glen R.] CUNY City Coll, Dept Chem, New York, NY 10031 USA. RP Bridges, F (reprint author), Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. OI Juhas, Pavol/0000-0001-8751-4458 FU NSF [DMR1005568]; U.S. Department of Energy, Office of Science (U.S. DOE-OS) by Argonne National Laboratory [DE-AC02-06CH11357]; U.S. DOE-OS [DE-AC02-98CH10886] FX The EXAFS work (performed by F. B. and T. K.) was supported under NSF Grant No. DMR1005568. The experiments were performed at SSRL, operated by the U.S. DOE, Division of Chemical Sciences. The XPDF experiments were performed at the APS, Argonne National Laboratories, operated for the U.S. Department of Energy, Office of Science (U.S. DOE-OS), by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. The work of S. J. L. B. and P. J. at the Brookhaven National Laboratory is supported by U.S. DOE-OS Contract No. DE-AC02-98CH10886. F. B. thanks I. Levin for helpful discussions and Rob Heffern for help in the initial EXAFS analysis of the W-O and Zr-O pairs. NR 35 TC 24 Z9 24 U1 7 U2 53 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 JAN 28 PY 2014 VL 112 IS 4 AR 045505 DI 10.1103/PhysRevLett.112.045505 PG 5 WC Physics, Multidisciplinary SC Physics GA AB7CL UT WOS:000331946800015 PM 24580469 ER PT J AU Fang, Y Yakimenko, VE Babzien, M Fedurin, M Kusche, KP Malone, R Vieira, J Mori, WB Muggli, P AF Fang, Y. Yakimenko, V. E. Babzien, M. Fedurin, M. Kusche, K. P. Malone, R. Vieira, J. Mori, W. B. Muggli, P. TI Seeding of Self-Modulation Instability of a Long Electron Bunch in a Plasma SO PHYSICAL REVIEW LETTERS LA English DT Article ID WAKEFIELD ACCELERATION AB We demonstrate experimentally that a relativistic electron bunch shaped with a sharp rising edge drives plasma wakefields with one to seven periods along the bunch as the plasma density is increased. The plasma density is varied in the 10(15)-10(17) cm(-3) range. The wakefields generation is observed after the plasma as a periodic modulation of the correlated energy spectrum of the incoming bunch. We choose a low bunch charge of 50 pC for optimum visibility of the modulation at all plasma densities. The longitudinal wakefields creating the modulation are in the MV/m range and are indirect evidence of the generation of transverse wakefields that can seed the self-modulation instability, although the instability does not grow significantly over the short plasma length (2 cm). We show that the seeding provides a phase reference for the wakefields, a necessary condition for the deterministic external injection of a witness bunch in an accelerator. This electron work supports the concept of similar experiments in the future, e. g., SMI experiments using long bunches of relativistic protons. C1 [Fang, Y.; Muggli, P.] Univ So Calif, Los Angeles, CA 90089 USA. [Yakimenko, V. E.] Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. [Babzien, M.; Fedurin, M.; Kusche, K. P.; Malone, R.] Brookhaven Natl Lab, Long Isl City, NY 11973 USA. [Vieira, J.] Inst Super Tecn, Inst Plasmas & Fusao Nucl, GoLP, Lisbon, Portugal. [Mori, W. B.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Muggli, P.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. RP Fang, Y (reprint author), Univ So Calif, Los Angeles, CA 90089 USA. EM yunf@usc.edu RI Vieira, Jorge/M-4373-2013 OI Vieira, Jorge/0000-0002-5515-3624 FU U.S. Department of Energy [DE-FG02-04ER41294, DE-AC02-98CH10886, DE-FG03-92ER40695, DE-FG02-92ER40745]; NSF [0936274] FX Work supported by the U.S. Department of Energy, Grants No. DE-FG02-04ER41294, No. DE-AC02-98CH10886, No. DE-FG03-92ER40695, and No. DE-FG02-92ER40745, and NSF Grant No. 0936274. The contribution of the ATF technical staff to this work is greatly appreciated. The simulations were performed on the UCLA cluster Hoffman2. NR 22 TC 11 Z9 11 U1 0 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JAN 28 PY 2014 VL 112 IS 4 AR 045001 DI 10.1103/PhysRevLett.112.045001 PG 5 WC Physics, Multidisciplinary SC Physics GA AB7CL UT WOS:000331946800010 PM 24580460 ER PT J AU Liu, S Hanggi, P Li, NB Ren, J Li, BW AF Liu, Sha Haenggi, Peter Li, Nianbei Ren, Jie Li, Baowen TI Anomalous Heat Diffusion SO PHYSICAL REVIEW LETTERS LA English DT Article ID THERMAL-CONDUCTIVITY; TRANSPORT-COEFFICIENTS; DIMENSIONAL LATTICES; DISSIPATION; SOLIDS AB Consider anomalous energy spread in solid phases, i.e., (E) = integral(x - < x >(E))(2)rho(E)(x, t)dx proportional to t(beta), as induced by a small initial excess energy perturbation distribution rho(E)(x, t = 0) away from equilibrium. The second derivative of this variance of the nonequilibrium excess energy distribution is shown to rigorously obey the intriguing relation d(2)(E)/dt(2) = 2C(JJ)(t)/(k(B)T(2)c), where C-JJ(t) equals the thermal equilibrium total heat flux autocorrelation function and c is the specific volumetric heat capacity. Its integral assumes a time-local Helfand-like relation. Given that the averaged nonequilibrium heat flux is governed by an anomalous heat conductivity, the energy diffusion scaling determines a corresponding anomalous thermal conductivity scaling behavior. C1 [Liu, Sha; Haenggi, Peter; Li, Baowen] Natl Univ Singapore, Dept Phys, Singapore 117546, Singapore. [Liu, Sha; Haenggi, Peter; Li, Baowen] Natl Univ Singapore, Ctr Computat Sci & Engn, Singapore 117546, Singapore. [Liu, Sha; Li, Baowen] NUS Grad Sch Integrat Sci & Engn, Singapore 117456, Singapore. [Haenggi, Peter] Univ Augsburg, Inst Phys, D-86159 Augsburg, Germany. [Haenggi, Peter] Nanosyst Initiat Munich, D-80799 Munich, Germany. [Haenggi, Peter; Li, Nianbei; Li, Baowen] Tongji Univ, Sch Phys Sci & Engn, Ctr Phonon & Thermal Energy Sci, Shanghai 200092, Peoples R China. [Ren, Jie] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Liu, S (reprint author), Natl Univ Singapore, Dept Phys, Singapore 117546, Singapore. EM phylius@nus.edu.sg; hanggi@physik.uni-augsburg.de; phylibw@nus.edu.sg RI Li, Nianbei/B-6055-2011; Sha, Liu/B-9905-2014; Li, Baowen/G-3003-2011; Ren, Jie/G-5314-2010; Hanggi, Peter/B-4457-2008 OI Li, Nianbei/0000-0002-9151-7675; Li, Baowen/0000-0002-8728-520X; Ren, Jie/0000-0003-2806-7226; FU MOE T2 (Singapore) [R-144-000-305-112]; National Natural Science Foundation of China [11205114]; Program for New Century Excellent Talents of the Ministry of Education of China [NCET-12-0409]; National Nuclear Security Administration of the U.S. DOE at LANL through the LDRD Program [DE-AC52-06NA25396] FX This work is supported by R-144-000-305-112 from MOE T2 (Singapore), the National Natural Science Foundation of China, Grant No. 11205114 (N. L.), and the Program for New Century Excellent Talents of the Ministry of Education of China, Grant No. NCET-12-0409 (N. L.). J. R. acknowledges support from National Nuclear Security Administration of the U.S. DOE at LANL under Contract No. DE-AC52-06NA25396 through the LDRD Program. NR 61 TC 40 Z9 40 U1 2 U2 50 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 JAN 28 PY 2014 VL 112 IS 4 AR 040601 DI 10.1103/PhysRevLett.112.040601 PG 6 WC Physics, Multidisciplinary SC Physics GA AB7CL UT WOS:000331946800002 PM 24580429 ER PT J AU Osei-Kuffuor, D Fattebert, JL AF Osei-Kuffuor, Daniel Fattebert, Jean-Luc TI Accurate and Scalable O(N) Algorithm for First-Principles Molecular-Dynamics Computations on Large Parallel Computers SO PHYSICAL REVIEW LETTERS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; ELECTRONIC-STRUCTURE CALCULATIONS; SPARSE MATRICES AB We present the first truly scalable first-principles molecular dynamics algorithm with O(N) complexity and controllable accuracy, capable of simulating systems with finite band gaps of sizes that were previously impossible with this degree of accuracy. By avoiding global communications, we provide a practical computational scheme capable of extreme scalability. Accuracy is controlled by the mesh spacing of the finite difference discretization, the size of the localization regions in which the electronic wave functions are confined, and a cutoff beyond which the components of the overlap matrix can be omitted when computing selected elements of its inverse. We demonstrate the algorithm's excellent parallel scaling for up to 101 952 atoms on 23 328 processors, with a wall-clock time of the order of 1 min per molecular dynamics time step and numerical error on the forces of less than 7 x 10(-4) Ha/Bohr. C1 [Osei-Kuffuor, Daniel; Fattebert, Jean-Luc] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Osei-Kuffuor, D (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, L-561, Livermore, CA 94551 USA. FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program [12-ERD-048] 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. Work at LLNL was funded by the Laboratory Directed Research and Development Program under project tracking code 12-ERD-048. The authors would like to thank S. Hamel for sharing his data on polymers and for stimulating discussions, as well as E. W. Draeger for his careful reading of the manuscript and suggestions. NR 30 TC 6 Z9 6 U1 0 U2 11 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 JAN 28 PY 2014 VL 112 IS 4 AR 046401 DI 10.1103/PhysRevLett.112.046401 PG 4 WC Physics, Multidisciplinary SC Physics GA AB7CL UT WOS:000331946800017 PM 24580471 ER PT J AU Zhao, X Nguyen, MC Zhang, WY Wang, CZ Kramer, MJ Sellmyer, DJ Li, XZ Zhang, F Ke, LQ Antropov, VP Ho, KM AF Zhao, X. Nguyen, M. C. Zhang, W. Y. Wang, C. Z. Kramer, M. J. Sellmyer, D. J. Li, X. Z. Zhang, F. Ke, L. Q. Antropov, V. P. Ho, K. M. TI Exploring the Structural Complexity of Intermetallic Compounds by an Adaptive Genetic Algorithm SO PHYSICAL REVIEW LETTERS LA English DT Article ID AUGMENTED-WAVE METHOD; AB-INITIO DATA; EFFECTIVE POTENTIALS; ZR2CO11; MAGNETS; PULL AB Solving the crystal structures of novel phases with nanoscale dimensions resulting from rapid quenching is difficult due to disorder and competing polymorphic phases. Advances in computer speed and algorithm sophistication have now made it feasible to predict the crystal structure of an unknown phase without any assumptions on the Bravais lattice type, atom basis, or unit cell dimensions, providing a novel approach to aid experiments in exploring complex materials with nanoscale grains. This approach is demonstrated by solving a long-standing puzzle in the complex crystal structures of the orthorhombic, rhombohedral, and hexagonal polymorphs close to the Zr2Co11 intermetallic compound. From our calculations, we identified the hard magnetic phase and the origin of high coercivity in this compound, thus guiding further development of these materials for use as high performance permanent magnets without rare-earth elements. C1 [Zhao, X.; Nguyen, M. C.; Wang, C. Z.; Kramer, M. J.; Zhang, F.; Ke, L. Q.; Antropov, V. P.; Ho, K. M.] US DOE, Ames Lab, Ames, IA 50011 USA. [Zhao, X.; Nguyen, M. C.; Wang, C. Z.; Ho, K. M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Zhang, W. Y.; Sellmyer, D. J.; Li, X. Z.] Univ Nebraska, Nebraska Ctr Mat & Nanosci, Lincoln, NE 68588 USA. [Zhang, W. Y.; Sellmyer, D. J.; Li, X. Z.] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. [Kramer, M. J.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Zhao, X (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM wangcz@ameslab.gov; kmh@ameslab.gov RI Nguyen, Manh Cuong/G-2783-2015; OI Nguyen, Manh Cuong/0000-0001-8027-9029; Zhao, Xin/0000-0002-3580-512X FU US Department of Energy-Energy Efficiency and Renewable Energy, Vehicles Technology Office, PEEM program; US Department of Energy, Basic Energy Sciences, Division of Materials Science and Engineering; U.S. DOE by Iowa State University [DE-AC02-07CH11358]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We are grateful to Dr. Iver E. Anderson and Dr. R. William McCallum for useful discussions. This work was supported by the US Department of Energy-Energy Efficiency and Renewable Energy, Vehicles Technology Office, PEEM program, and by the US Department of Energy, Basic Energy Sciences, Division of Materials Science and Engineering. The research was performed at the Ames Laboratory, which is operated for the U.S. DOE by Iowa State University under Contract No. DE-AC02-07CH11358. This research used resources of the National Energy Research Scientific Computing Center through the NISE program, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 27 TC 20 Z9 20 U1 7 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 JAN 28 PY 2014 VL 112 IS 4 AR 045502 DI 10.1103/PhysRevLett.112.045502 PG 5 WC Physics, Multidisciplinary SC Physics GA AB7CL UT WOS:000331946800012 PM 24580466 ER PT J AU Chen, XY Goff, GS Scott, BL Runde, W AF Chen, Xiao-Yan Goff, George S. Scott, Brian L. Runde, Wolfgang TI Comparison of structural variations of Ln(III) compounds with (pyrazol-1-yl)acetic acid SO POLYHEDRON LA English DT Article DE Rare earth compounds; (Pyrazol-1-yl)acetic acid; Crystal structures; Optical spectroscopy ID PYRAZOLATE COMPLEXES; IONIC LIQUID; LANTHANIDE; ELECTROLYTES; METALS; AGENTS; STATE; UNITS AB As a continuation of our previous studies of light lanthanides (La, Ce, Pr, and Nd) with (Pyrazol-1-yl)acetic acid (L), we reacted L with the heavier lanthanides in aqueous solution at pH 5 and synthesized lanthanide complexes of the general formula [Ln(L)(3)(H2O)(2)]center dot H2O (Ln = Eu, 1; Gd, 2; Dy, 3; Ho, 4; Er, 5; Yb, 6; Lu, 7) and [HoL(NO3)(2)(H2O)(3)] (8). All complexes were characterized by single crystal X-ray diffraction analysis revealing one-dimensional chain formations. Three distinct crystallographic structures are governed by the different coordination modes of the carboxylate groups in L: terminal bidentate, bridging bidentate and tridentate coordination in 1-3, terminal and bridging bidentate coordination in 4-7, and bridging bidentate coordination in 8. The solid state UV-Vis-NIR diffuse reflectance spectra and the solution UV-Vis-NIR absorption spectra differ, suggesting different coordination environments in solution and solid state. The coordination-induced shifts of the C-13 NMR signals for [Lu(L)(3)(H2O)(2)]center dot H2O (7) in D2O show that the carboxylate groups of the ligand are coordinated with the Lu(III) ion in solution. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Chen, Xiao-Yan; Goff, George S.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Scott, Brian L.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Runde, Wolfgang] Los Alamos Natl Lab, Sci Program Off, Los Alamos, NM 87545 USA. RP Runde, W (reprint author), Los Alamos Natl Lab, Sci Program Off, POB 1663, Los Alamos, NM 87545 USA. EM runde@lanl.gov RI Scott, Brian/D-8995-2017 OI Scott, Brian/0000-0003-0468-5396 FU Laboratory-Directed Research and Development Program; G.T. Seaborg Institute for Transactinium Science at Los Alamos National Laboratory FX The authors gratefully acknowledge the Laboratory-Directed Research and Development Program and the G.T. Seaborg Institute for Transactinium Science at Los Alamos National Laboratory for financial support during this project. NR 43 TC 0 Z9 0 U1 2 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0277-5387 J9 POLYHEDRON JI Polyhedron PD JAN 28 PY 2014 VL 68 BP 80 EP 86 DI 10.1016/j.poly.2013.10.015 PG 7 WC Chemistry, Inorganic & Nuclear; Crystallography SC Chemistry; Crystallography GA AA9NY UT WOS:000331421400012 ER PT J AU Stratton, M Lee, IH Bhattacharyya, M Christensen, SM Chao, LH Schulman, H Groves, JT Kuriyan, J AF Stratton, Margaret Lee, Il-Hyung Bhattacharyya, Moitrayee Christensen, Sune M. Chao, Luke H. Schulman, Howard Groves, Jay T. Kuriyan, John TI Activation-triggered subunit exchange between CaMKII holoenzymes facilitates the spread of kinase activity SO ELIFE LA English DT Article ID DEPENDENT PROTEIN-KINASE; LONG-TERM POTENTIATION; INHIBITORY AUTOPHOSPHORYLATION; ASSOCIATION DOMAIN; AUTONOMOUS ENZYME; DENDRITIC SPINES; CALMODULIN; MECHANISM; ALPHA; PHOSPHORYLATION AB The activation of the dodecameric Ca2+/calmodulin dependent kinase II (CaMKII) holoenzyme is critical for memory formation. We now report that CaMKII has a remarkable property, which is that activation of the holoenzyme triggers the exchange of subunits between holoenzymes, including unactivated ones, enabling the calcium-independent phosphorylation of new subunits. We show, using a single-molecule TIRF microscopy technique, that the exchange process is triggered by the activation of CaMKII, and that exchange is modulated by phosphorylation of two residues in the calmodulin-binding segment, Thr 305 and Thr 306. Based on these results, and on the analysis of molecular dynamics simulations, we suggest that the phosphorylated regulatory segment of CaMKII interacts with the central hub of the holoenzyme and weakens its integrity, thereby promoting exchange. Our results have implications for an earlier idea that subunit exchange in CaMKII may have relevance for information storage resulting from brief coincident stimuli during neuronal signaling. C1 [Stratton, Margaret; Bhattacharyya, Moitrayee; Chao, Luke H.; Kuriyan, John] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Stratton, Margaret; Lee, Il-Hyung; Bhattacharyya, Moitrayee; Christensen, Sune M.; Chao, Luke H.; Groves, Jay T.; Kuriyan, John] Univ Calif Berkeley, Calif Inst Quantitat Biosci, QB3, Berkeley, CA 94720 USA. [Stratton, Margaret; Lee, Il-Hyung; Bhattacharyya, Moitrayee; Christensen, Sune M.; Chao, Luke H.; Groves, Jay T.; Kuriyan, John] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Lee, Il-Hyung; Christensen, Sune M.; Kuriyan, John] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Schulman, Howard] Allosteros Therapeut, Sunnyvale, CA USA. [Groves, Jay T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Groves, Jay T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Groves, JT (reprint author), Univ Calif Berkeley, Calif Inst Quantitat Biosci, QB3, Berkeley, CA 94720 USA. EM JTGroves@lbl.gov; kuriyan@berkeley.edu OI Christensen, Sune/0000-0001-9650-6660 FU Howard Hughes Medical Institute; Jane Coffin Childs; National Institutes of Health [R01GM101277]; Human Frontier Science Program FX Howard Hughes Medical Institute Jay T Groves, John Kuriyan; Jane Coffin Childs Margaret Stratton; National Institutes of Health R01GM101277 Howard Schulman; Human Frontier Science Program Moitrayee Bhattacharyya NR 69 TC 11 Z9 11 U1 1 U2 22 PU ELIFE SCIENCES PUBLICATIONS LTD PI CAMBRIDGE PA SHERATON HOUSE, CASTLE PARK, CAMBRIDGE, CB3 0AX, ENGLAND SN 2050-084X J9 ELIFE JI eLife PD JAN 28 PY 2014 VL 3 AR e01610 DI 10.7554/eLife.01610 PG 28 WC Biology SC Life Sciences & Biomedicine - Other Topics GA AA5NF UT WOS:000331145800007 ER PT J AU Cui, WP Li, MD Dai, ZY Meng, QP Zhu, YM AF Cui, Wenping Li, Mingda Dai, Zuyang Meng, Qingping Zhu, Yimei TI Near-field optical effect of a core-shell nanostructure in proximity to a flat surface SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID TEMPERATURE-DEPENDENCE; DIELECTRIC FUNCTION; NANOPARTICLES; SPECTROSCOPY; ENHANCEMENT; PARTICLES; OXIDATION; SILICON; PLASMON; SPHERE AB We provide an analytical solution for studying the near-field optical effect of a core-shell nanostructure in proximity to a flat surface, within quasi-static approximation. The distribution of electrostatic potential and the field enhancement in this complex geometry are obtained by solving a set of linear equations. This analytical result can be applied to a wide range of systems associated with near-field optics and surface plasmon polaritons. To illustrate the power of this technique, we study the field-attenuation effect of an oxidized shell in a silver tip in a near-field scanning microscope. The thickness of oxidized layer can be monitored by measuring the intensity of light. We also find a linear relation between resonant frequency and temperature in an Ag-Au core-shell structure, which provides insight for local temperature detection with nm scale resolution. Our results also show good agreement with recent finite element method results. (C) 2014 AIP Publishing LLC. C1 [Cui, Wenping] Univ Bonn, Dept Phys, D-53113 Bonn, Germany. [Li, Mingda] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. [Dai, Zuyang] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. [Dai, Zuyang] Tsinghua Univ, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China. [Meng, Qingping; Zhu, Yimei] Brookhaven Natl Lab, Dept Condensed Matter Phys, Upton, NY 11973 USA. RP Li, MD (reprint author), MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM mingda@mit.edu NR 30 TC 4 Z9 4 U1 0 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 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JAN 28 PY 2014 VL 140 IS 4 AR 044109 DI 10.1063/1.4862800 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AA6MF UT WOS:000331211700017 PM 25669507 ER PT J AU Hill, AH Jacobsen, H Stewart, JR Jiao, F Jensen, NP Holm, SL Mutka, H Seydel, T Harrison, A Lefmann, K AF Hill, Adrian H. Jacobsen, Henrik Stewart, J. Ross Jiao, Feng Jensen, Niels P. Holm, Sonja L. Mutka, Hannu Seydel, Tilo Harrison, Andrew Lefmann, Kim TI Magnetic properties of nano-scale hematite, alpha-Fe2O3, studied by time-of-flight inelastic neutron spectroscopy SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID NANOSTRUCTURED HEMATITE; NANOPARTICLES; SCATTERING; DYNAMICS AB Samples of nanoscale hematite, alpha-Fe2O3, with different surface geometries and properties have been studied with inelastic time-of-flight neutron scattering. The 15 nm diameter nanoparticles previously shown to have two collective magnetic excitation modes in separate triple-axis neutron scattering studies have been studied in further detail using the advantage of a large detector area, high resolution, and large energy transfer range of the IN5 TOF spectrometer. A mesoporous hematite sample has also been studied, showing similarities to that of the nanoparticle sample and bulk alpha-Fe2O3. Analysis of these modes provides temperature dependence of the magnetic anisotropy coefficient along the c-axis, kappa(1). This is shown to remain negative throughout the temperature range studied in both samples, providing an explanation for the previously observed suppression of the Morin transition in the mesoporous material. The values of this anisotropy coefficient are found to lie between those of bulk and nano-particulate samples, showing the hybrid nature of the mesoporous 3-dimensional structure. (C) 2014 AIP Publishing LLC. C1 [Hill, Adrian H.] European Synchrotron Radiat Facil, F-38043 Grenoble 9, France. [Jacobsen, Henrik; Holm, Sonja L.; Lefmann, Kim] Univ Copenhagen, Niels Bohr Inst, Nanosci Ctr, DK-2100 Copenhagen, Denmark. [Stewart, J. Ross] Rutherford Appleton Lab, Sci & Technol Facil Council, Didcot OX11 0QX, Oxon, England. [Jiao, Feng] Univ Delaware, Ctr Catalyt Sci & Technol, Dept Chem Engn, Newark, DE 19716 USA. [Jensen, Niels P.] Tech Univ Denmark, Dept Energy Convers & Storage, DK-4000 Roskilde, Denmark. [Mutka, Hannu; Seydel, Tilo; Harrison, Andrew] Inst Laue Langevin, F-38042 Grenoble 9, France. [Harrison, Andrew] Univ Edinburgh, Sch Chem, EaStCHEM, Edinburgh EH9 3JZ, Midlothian, Scotland. [Harrison, Andrew] Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh EH9 3JZ, Midlothian, Scotland. [Jiao, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Hill, AH (reprint author), Johnson Matthey Technol Ctr, Savannah, GA 31408 USA. EM hjacobse@fys.ku.dk RI Stewart, Ross/C-4194-2008; Jacobsen, Henrik/B-6500-2015; Lefmann, Kim/M-9228-2014; Holm, Sonja Lindahl/P-5546-2015 OI Stewart, Ross/0000-0003-0053-0178; Jacobsen, Henrik/0000-0001-6950-3990; Lefmann, Kim/0000-0003-4282-756X; Holm, Sonja Lindahl/0000-0003-4118-5702 FU Danish Research Council for Nature and Universe through DANSCATT FX Neutron scattering experiments in this project were carried out at the ILL. The project was funded by the Danish Research Council for Nature and Universe through DANSCATT. NR 30 TC 3 Z9 3 U1 2 U2 26 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 JAN 28 PY 2014 VL 140 IS 4 AR 044709 DI 10.1063/1.4862235 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AA6MF UT WOS:000331211700079 PM 25669569 ER PT J AU Lu, CY Voter, AF Perez, D AF Lu, Chun-Yaung Voter, Arthur F. Perez, Danny TI Extending atomistic simulation timescale in solid/liquid systems: Crystal growth from solution by a parallel-replica dynamics and continuum hybrid method SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID QUASI-STATIONARY DISTRIBUTIONS; DIFFUSION-LIMITED AGGREGATION; MOLECULAR-DYNAMICS; DEPOSITION AB Deposition of solid material from solution is ubiquitous in nature. However, due to the inherent complexity of such systems, this process is comparatively much less understood than deposition from a gas or vacuum. Further, the accurate atomistic modeling of such systems is computationally expensive, therefore leaving many intriguing long-timescale phenomena out of reach. We present an atomistic/continuum hybrid method for extending the simulation timescales of dynamics at solid/liquid interfaces. We demonstrate the method by simulating the deposition of Ag on Ag (001) from solution with a significant speedup over standard MD. The results reveal specific features of diffusive deposition dynamics, such as a dramatic increase in the roughness of the film. (C) 2014 AIP Publishing LLC. C1 [Lu, Chun-Yaung; Voter, Arthur F.; Perez, Danny] Los Alamos Natl Lab, Theoret Div T1, Los Alamos, NM 87545 USA. RP Lu, CY (reprint author), Los Alamos Natl Lab, Theoret Div T1, POB 1663, Los Alamos, NM 87545 USA. EM danny_perez@lanl.gov OI Voter, Arthur/0000-0001-9788-7194 FU U.S. DOE [DE-AC52-06NA25396] FX We thank J. G. Amar for helpful comments. This work was completely supported by the United States Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. 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. C.Y.L. and D. P. thank IPAM (Institute for Pure and Applied Mathematics) at UCLA, where part of this work was carried out, for their warm hospitality. NR 27 TC 1 Z9 1 U1 2 U2 13 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 JAN 28 PY 2014 VL 140 IS 4 AR 044116 DI 10.1063/1.4862681 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AA6MF UT WOS:000331211700024 PM 25669514 ER PT J AU Souvatzis, P Niklasson, AMN AF Souvatzis, Petros Niklasson, Anders M. N. TI First principles molecular dynamics without self-consistent field optimization SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID AB-INITIO CALCULATION; DENSITY-MATRIX; GAUSSIAN-ORBITALS; ENERGY; TRAJECTORIES; SIMULATIONS; FORCES AB We present a first principles molecular dynamics approach that is based on time-reversible extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] in the limit of vanishing self-consistent field optimization. The optimization-free dynamics keeps the computational cost to a minimum and typically provides molecular trajectories that closely follow the exact Born-Oppenheimer potential energy surface. Only one single diagonalization and Hamiltonian (or Fockian) construction are required in each integration time step. The proposed dynamics is derived for a general free-energy potential surface valid at finite electronic temperatures within hybrid density functional theory. Even in the event of irregular functional behavior that may cause a dynamical instability, the optimization-free limit represents a natural starting guess for force calculations that may require a more elaborate iterative electronic ground state optimization. Our optimization-free dynamics thus represents a flexible theoretical framework for a broad and general class of ab initio molecular dynamics simulations. (C) 2014 AIP Publishing LLC. C1 [Souvatzis, Petros] Uppsala Univ, Div Mat Theory, Dept Phys & Astron, SE-75120 Uppsala, Sweden. [Niklasson, Anders M. N.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Souvatzis, P (reprint author), Uppsala Univ, Div Mat Theory, Dept Phys & Astron, Box 516, SE-75120 Uppsala, Sweden. EM petros.souvatsiz@fysik.uu.se; amn@lanl.gov FU United States Department of Energy (U.S. DOE) Office of Basic Energy Sciences; U.S. DOE [DE-AC52-06NA25396]; Goran Gustafsson Research Foundation FX P.S. wants to thank Lina Carlbom for her eternal patience. A.M.N.N. acknowledges support by the United States Department of Energy (U.S. DOE) Office of Basic Energy Sciences, discussions with M. Cawkwell, E. Chisolm, C. J. Tymczak, G. Zheng, and stimulating contributions by T. Peery at the T-Division Ten Bar Java group. LANL is operated by Los Alamos National Security, LLC, for the NNSA of the U.S. DOE under Contract No. DE-AC52-06NA25396. Support by the Goran Gustafsson Research Foundation is also gratefully acknowledged. NR 51 TC 13 Z9 13 U1 1 U2 29 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 JAN 28 PY 2014 VL 140 IS 4 AR 044117 DI 10.1063/1.4862907 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AA6MF UT WOS:000331211700025 PM 25669515 ER PT J AU Lipson, AL Puntambekar, K Comstock, DJ Meng, XB Geier, ML Elam, JW Hersam, MC AF Lipson, Albert L. Puntambekar, Kanan Comstock, David J. Meng, Xiangbo Geier, Michael L. Elam, Jeffrey W. Hersam, Mark C. TI Nanoscale Investigation of Solid Electrolyte Interphase Inhibition on Li-Ion Battery MnO Electrodes via Atomic Layer Deposition of Al2O3 SO CHEMISTRY OF MATERIALS LA English DT Article ID IN-SITU AFM; FORCE MICROSCOPY; ELECTROCHEMICAL-BEHAVIOR; COMPOSITE ELECTRODES; COULOMBIC EFFICIENCY; DIMENSIONAL CHANGES; LICOO2 CATHODES; ANODE MATERIALS; OXIDE COATINGS; SEI FORMATION AB Application of a functional surface coating on Li-ion battery electrodes can potentially result in a significant enhancement of the lifespan of the battery cell. In particular, atomic layer deposition (ALD), which can create highly conformal ultrathin oxide films on many different electrodes has been shown to increase the cyclability in these systems. In this study, we explore the impact of such films on the formation of the solid electrolyte interphase (SEI), which may explain why these films show improvements in the cycling performance. Specifically, we characterize, using in situ scanning ion conductance microscopy and other ex situ surface characterization techniques, the SEI formed on ALD Al2O3 coated and uncoated MnO electrodes. We ascertain that A is the minimum thickness of ALD Al2O3 that will inhibit thick SEI formation. Furthermore, we show that the AID surface coating is robust and prevents SEI formation for at least 100 cycles. Lastly, we investigated the differences between our in situ and ex situ measurements to help determine what artifacts can result that are due to postprocessing for ex situ C1 [Lipson, Albert L.; Puntambekar, Kanan; Geier, Michael L.; Hersam, Mark C.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Comstock, David J.; Meng, Xiangbo; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Hersam, MC (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. EM m-hersam@northwestern.edu RI Hersam, Mark/B-6739-2009 FU Center for Electrical Energy Storage, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; National Science Foundation; Initiative for Sustainability and Energy at Northwestern (ISEN); NSF-MRSEC [NSF DMR-1121262]; Keck Foundation; State of Illinois FX This research was supported as part of the Center for Electrical Energy Storage, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (Award DE-AC02-06CH11357). M.L.G. acknowledges a National Science Foundation Graduate Research Fellowship. Battery testing instrumentation was funded by the Initiative for Sustainability and Energy at Northwestern (ISEN). This research made use of the NUANCE Center at Northwestern University, which is supported by the NSF-MRSEC (NSF DMR-1121262), Keck Foundation, and the State of Illinois. NR 52 TC 23 Z9 23 U1 8 U2 107 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 JAN 28 PY 2014 VL 26 IS 2 BP 935 EP 940 DI 10.1021/cm402451h PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PE UT WOS:000330543600009 ER PT J AU Boyle, TJ Yang, P Hattar, K Hernandez-Sanchez, BA Neville, ML Hoppe, S AF Boyle, Timothy J. Yang, Pin Hattar, Khalid Hernandez-Sanchez, Bernadette A. Neville, Michael L. Hoppe, Sarah TI Synthesis and Characterization of Solvothermal Processed Calcium Tungstate Nanomaterials from Alkoxide Precursors SO CHEMISTRY OF MATERIALS LA English DT Article DE scintillators; calcium tungstates; alkoxide; luminescent; ion beam ID CAWO4 NANOPARTICLES; OPTICAL-PROPERTIES; CRYSTAL-STRUCTURES; BLUE-LUMINESCENCE; LINEAR-CHAIN; CA; IRRADIATION; SPECTRA; COMPLEX; CAMOO4 AB An evaluation of calcium tungsten oxide (CaWO4) nanoparticles' properties was conducted using the powders generated from an all-alkoxide solvothermal (SOLVO) route. The reaction involved a toluene/pyridine mixture of tungsten(V) ethcodde ([W(OEt)(5)]) with calcium bis(trimethyl silyl) amide ([(N(Si(CH3)(3))(2)]) modified in situ by a series of alcohols (H-OR) including neo-pentanol (H-OCH2C(CH3)(3) or H-ONep) or sterically varied aryl alcohols (H-OC6H3R2-2,6 where R = CH3 (H-DMP), CH(CH3)(2) (H-DIP), C(CH3)(3) (DBP))]. Attempts to identify the intermediates generated from this series of reactions led to the crystallographic identification of [(OEt)(4)W(mu-OEt)(2)Ca(DBP)(2)] (1). Each different SOLVO generated "initial" powder was found by transmission electron microscopy (TEM) and powder X-ray diffraction (PXRD) to be nanomaterials roughly assigned as the scheelite phase (PDF 00-041-1431); however, these initial powders displayed no luminescent behavior as determined by photoluminescence (PL) measurements. Thermal processing of these powders at 450, 650, and 750 degrees C yielded progressively larger and more crystalline scheelite nanoparticles. Both PL and cathodoluminescent (CL) emission (422-425 and 429 nm, respectively) were observed for the nanomaterials processed at 750 degrees C. Ion beam induced luminescence (IBIL, 478 nm) appeared to be in agreement with these PL and CL measurements. Further processing of the materials at 1000 degrees C, led to a coalescence of the particles and significant improvement in the observed PL (445 nm) and CL measurements; however, the IBIL spectrum of this material was significantly altered upon exposure. These data suggest that the smaller nanoparticles were more stable to radiation effects possibly due to the lack of energy deposits based on the short track length; whereas the larger particles appear to suffer from radiation induced structural defects. C1 [Boyle, Timothy J.; Yang, Pin; Hattar, Khalid; Hernandez-Sanchez, Bernadette A.; Neville, Michael L.; Hoppe, Sarah] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Boyle, TJ (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd Southeast, Albuquerque, NM 87106 USA. EM tjboyle@Sandia.gov FU National Science Foundation CRIF:MU [CHE04-43580]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank S.B. Van Deusen (Sandia) and J. Villone (Sandia) for their technical assistance. This work was supported by the Laboratory Directed Research and Development.(LDRD) program at Sandia National Laboratories. The Bruker X-ray diffractometer used for the crystal structure study was purchased via a National Science Foundation CRIF:MU award to the University of New Mexico (CHE04-43580). Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 40 TC 11 Z9 11 U1 3 U2 47 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 JAN 28 PY 2014 VL 26 IS 2 BP 965 EP 975 DI 10.1021/cm402622b PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PE UT WOS:000330543600013 ER PT J AU Abdulwahab, KO Malik, MA O'Brien, P Timco, GA Tuna, F Muryn, CA Winpenny, REP Pattrick, RAD Coker, VS Arenholz, E AF Abdulwahab, Khadijat O. Malik, Mohammad A. O'Brien, Paul Timco, Grigore A. Tuna, Floriana Muryn, Christopher A. Winpenny, Richard E. P. Pattrick, Richard A. D. Coker, Victoria S. Arenholz, Elke TI A One-Pot Synthesis of Monodispersed Iron Cobalt Oxide and Iron Manganese Oxide Nanoparticles from Bimetallic Pivalate Clusters SO CHEMISTRY OF MATERIALS LA English DT Article DE colloidal synthesis; nanoparticles; iron cobalt oxide; iron manganese oxide; single-source precursors; pivalate clusters ID SPINEL FERRITE NANOPARTICLES; CONTINUOUS HYDROTHERMAL SYNTHESIS; MAGNETIC CIRCULAR-DICHROISM; 2P ABSORPTION-SPECTRA; MFE2O4 M; COFE2O4 NANOPARTICLES; ANISOTROPY CONSTANT; SITE OCCUPANCIES; MN NANOPARTICLES; SHAPE CONTROL AB Monodispersed iron cobalt oxide (Fe2CoO4) and iron manganese oxide (Mn0.43Fe2.57O4) nanoparticles have been synthesized using bimetallic pivalate clusters of [Fe2CoO-((O2CBu)-Bu-t)(6)((HO2CBu)-Bu-t)(3)] (1), Co4Fe2O2(O2OBu)(10)(MeCN)(2)] (2), and [Fe2MnO((O2CBu)-Bu-t)(6)((HO2CBu)-Bu-t)(3)] (3) respectively as single source precursors. The precursors were thermolyzed in a mixture of oleylamine and oleic acid with either diphenyl ether or benzyl ether as solvent at their respective boiling points of 260 or 300 degrees C. The effect of reaction time, temperature and precursor concentration (0.25 or 0.50 mmol) on the stoichiometry, phases or morphology of the nanoparticles were studied. TEM showed that highly monodispersed spherical nanoparticles of Fe2CoO4 (3.6 +/- 0.2 nm) and Mn0.43Fe2.57O4 (3.5 +/- 0.2 nm) were obtained from 0.50 mmol of 1 or 3, respectively at 260 degrees C. The decomposition of the precursors at 0.25.mmol and 300 degrees C revealed that larger iron cobalt oxide or iron manganese oxide nanoparticles were obtained from 1 and 3, respectively, whereas the opposite was observed for iron cobalt oxide from 2 as smaller nanoparticles appeared. The reaction time was investigated for the three precursors at 0.25 mmol by withdrawing aliquots at 5 min, 15 min, 30 min, 1 h, and 2 h. The results obtained showed that aliquots withdrawn at reaction times of less than I h contain traces of iron oxide, whereas only pure cubic iron cobalt oxide or iron manganese oxide was obtained after I h. Magnetic measurements revealed that all the nanoparticles are superparamagnetic at room temperature with high saturation magnetization values. XMCD confirmed that in iron cobalt oxide nanoparticles, most of the Co2+ cations are in the octahedral site. There is also evidence in the magnetic measurements for considerable hysteresis (>1T) observed at 5 K. EPMA analysis and ICP-OES measurements performed on iron cobalt oxide nanoparticles obtained from [Fe2CoO((O2CBu)-Bu-t)(6)(HO2CBu)(3)] (1) revealed that stoichiometric Fe2CoO4 was obtained only for 0.50 mmol precursor concentration. All the nanoparticles were characterized by powder X-ray diffraction (p-XRD), transmission electron microscopy (TEM), inductively coupled plasma-optical emission spectroscopy (ICP-OES), electron probe microanalysis (EPMA), X-ray magnetic circular dichroism (XMCD), and superconducting quantum interference device (SQUID) magnetometry. C1 [Abdulwahab, Khadijat O.; Malik, Mohammad A.; O'Brien, Paul; Timco, Grigore A.; Tuna, Floriana; Muryn, Christopher A.; Winpenny, Richard E. P.] Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England. [O'Brien, Paul] Univ Manchester, Sch Mat, Manchester M1 7HS, Lancs, England. [Tuna, Floriana; Winpenny, Richard E. P.] Univ Manchester, Photon Sci Inst, Manchester M13 9PL, Lancs, England. [Pattrick, Richard A. D.; Coker, Victoria S.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester M13 9PL, Lancs, England. [Pattrick, Richard A. D.; Coker, Victoria S.] Univ Manchester, Williamson Res Ctr Mol Environm Sci, Manchester M13 9PL, Lancs, England. [Arenholz, Elke] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP O'Brien, P (reprint author), Univ Manchester, Sch Chem, Oxford Rd, Manchester M13 9PL, Lancs, England. EM paul.obrien@manchester.ac.uk FU Islamic Development Bank, Saudi Arabia; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231] FX K.OA. gratefully acknowledges the financial support from the Islamic Development Bank, Saudi Arabia. The XAS and XMCD were carried out at the Advanced Light Source supported by the Director, Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract DE-AC02-05CH11231. NR 63 TC 14 Z9 14 U1 14 U2 143 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 JAN 28 PY 2014 VL 26 IS 2 BP 999 EP 1013 DI 10.1021/cm403047v PG 15 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PE UT WOS:000330543600017 ER PT J AU Meng, X Libera, JA Fister, TT Zhou, H Hedlund, JK Fenter, P Elam, JW AF Meng, Xiangbo Libera, Joseph A. Fister, Timothy T. Zhou, Hua Hedlund, Jenny K. Fenter, Paul Elam, Jeffrey W. TI Atomic Layer Deposition of Gallium Sulfide Films Using Hexakis(dimethylamido)digallium and Hydrogen Sulfide SO CHEMISTRY OF MATERIALS LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; SINGLE-SOURCE PRECURSOR; AEROSOL-ASSISTED CVD; THIN-FILMS; INFRARED-SPECTROSCOPY; METASTABLE PHASE; LITHIUM-ION; GA2O3 FILMS; GROWTH; GAS AB Gallium sulfide (GaSx) was synthesized for the first time via atomic layer deposition (ALD), using hexakis(dimethylamido)digallium and hydrogen sulfide. The growth characteristics and surface reaction mechanism for the GaSx ALD were investigated using in situ quartz crystal microbalance, quadrupole mass spectrometry, and Fourier transform infrared spectroscopy measurements. The as-deposited films were analyzed for their surface morphology, elemental stoichiometry, chemical states and stability, and crystallinity, using a variety of characterization techniques. These measurements revealed that the GaSx growth was self-limiting in the temperature range of 125-225 degrees C and the growth per cycle decreased linearly with increasing temperature, from similar to 1.0 angstrom/cycle at 125 C to similar to 0.5 angstrom/cycle at 225 degrees C. The S/Ga ratio was between 1.0 and 1.2 in the temperature range of 125-200 degrees C, but decreased to 0.75 at 225 degrees C. The GaSx films were amorphous and the refractive index increased from similar to 1.8 to 2.5 with increasing temperature. Significantly, electrochemical testing showed that the ALD GaSx is a promising lithium-ion battery (LIB) anode material, exhibiting reliable cyclability and a high specific capacity of 770 inAh/g at a current density of 320 rnA/g in the voltage window of 0.01-2.00 V. C1 [Meng, Xiangbo; Libera, Joseph A.; Hedlund, Jenny K.; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Fister, Timothy T.; Fenter, Paul] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Zhou, Hua] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Elam, JW (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jelam@anl.gov OI Meng, Xiangbo/0000-0002-4631-7260 FU Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Canada NSERC Postdoctoral Fellowship FX This work was supported as part of the Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Electron microscopy was performed at the Electron Microscopy Center for Materials Research (EMCMR) at Argonne National Laboratory. Use of the EMCMR was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357 operated by UChicago Argonne, LLC. X.M. appreciates the financial support from a Canada NSERC Postdoctoral Fellowship. We are grateful to Incom, Inc. (Charlton, MA) for providing the glass capillary array substrates. NR 73 TC 24 Z9 24 U1 9 U2 73 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 JAN 28 PY 2014 VL 26 IS 2 BP 1029 EP 1039 DI 10.1021/cm4031057 PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PE UT WOS:000330543600020 ER PT J AU Lapadula, G Bourdolle, A Allouche, F Conley, MP del Rosal, I Maron, L Lukens, WW Guyot, Y Andraud, C Brasselet, S Coperet, C Maury, O Andersen, RA AF Lapadula, Giuseppe Bourdolle, Adrien Allouche, Florian Conley, Matthew P. del Rosal, Iker Maron, Laurent Lukens, Wayne W. Guyot, Yannick Andraud, Chantal Brasselet, Sophie Coperet, Christophe Maury, Olivier Andersen, Richard A. TI Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers SO CHEMISTRY OF MATERIALS LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; SINGLE-MOLECULE MAGNET; ENERGY-TRANSFER; IN-VIVO; ABSORPTION PROPERTIES; LANTHANIDE COMPLEXES; FLUORESCENT-PROBES; MESOPOROUS SILICA; EUROPIUM COMPLEX; CROSS-SECTION AB Bright nano-objects emitting in the near-infrared with a maximal cross section of 41.4 X 10(3) GM (Goppert Mayer) were prepared by implanting ca. 180 4,4'-diethylaminostyry1-2,2'-bipyridine (DEAS) Yb(III) complexes on the surface of 12-nm silica nanoparticles. The surface complexes ([DEAS.Ln@SiO2], Ln = Y, Yb) were characterized using IR, solid-state NMR, UV-vis, and EXAFS spectroscopies in combination with the preparation and characterization of similar molecular analogues by analytical techniques (IR, solution NMR, UV-vis, X-ray crystallography) as well as DFT calculations. Starting from the partial dehydroxylation of the silica at 700 degrees C under a high vacuum having 0.8 OH.nm(-2), the grafting of Ln(N(SiMe3)(2))(3) generates SiO-Ln(N(SiMe3)(2))(2), which upon thermal step and coordination of the DEAS chromophore yields ( SiO)(3)Ln(DEAS). Surface and molecular analogues display similar properties, in terms of DEAS binding constants absorption maxima and luminescence properties (intense emission band assigned to a ligand centered CT fluorescence and lifetime) in the solid state, consistent with the molecular nature of the surface species. The densely functionalized nanoparticles can be dispersed via ultrasonication in small 15-20 nm aggregates (one to six elementary particles) that were detected using two-photon microscopy imaging at 720 nm excitation, making them promising nano-objects for bioimaging. C1 [Lapadula, Giuseppe; Allouche, Florian; Conley, Matthew P.; Coperet, Christophe] ETH, Dept Chem & Appl Biosci, CH-8093 Zurich, Switzerland. [Bourdolle, Adrien; Andraud, Chantal; Maury, Olivier] Univ Lyon 1, CNRS, UMR 5182, Ecole Normale Super Lyon, F-69007 Lyon, France. [Bourdolle, Adrien; Coperet, Christophe] Univ Lyon 1, C2P2, UMR CNRS 5265, CPE Lyon, F-69616 Villeurbanne, France. [del Rosal, Iker; Maron, Laurent] Univ Toulouse, F-31077 Toulouse 4, France. [del Rosal, Iker; Maron, Laurent] CNRS, LPCNO INSA UPS CNRS 135, F-31077 Toulouse 4, France. [Lukens, Wayne W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Guyot, Yannick] Univ Lyon 1, Inst Lumiere Mat, UMR CNRS 5306, F-69622 Villeurbanne, France. [Brasselet, Sophie] Univ Aix Marseille 3, Inst Fresnel, CNRS UMR 6133, Ecole Cent Marseille, F-13397 Marseille 20, France. [Andersen, Richard A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Coperet, C (reprint author), ETH, Dept Chem, Vladimir Prelog Weg 2, CH-8093 Zurich, Switzerland. EM ccoperet@inorg.chem.ethz.ch RI Guyot, Yannick/B-5847-2014; OI Maury, Olivier/0000-0002-4639-643X FU Ministere de la Recherche et de l'Education; Swiss National Foundation [SNF200021_137691/1]; U.S. Department of Energy, Basic Energy Sciences, Chemical Sciences, Biosciences, and Geosciences Division; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX AB. and G.L. thank the Ministere de la Recherche et de l'Education and the Swiss National Foundation (SNF200021_137691/1), respectively, for pre-doctoral fellowships. Portions of this work were supported by U.S. Department of Energy, Basic Energy Sciences, Chemical Sciences, Biosciences, and Geosciences Division and were performed at Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. 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. Electron Microscopy ETH Zurich (EMEZ) is acknowledged for the TEM measurement. NR 81 TC 27 Z9 27 U1 2 U2 95 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 JAN 28 PY 2014 VL 26 IS 2 BP 1062 EP 1073 DI 10.1021/cm404140q PG 12 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PE UT WOS:000330543600024 ER PT J AU Hwang, S Chang, W Kim, SM Su, D Kim, DH Lee, JY Chung, KY Stach, EA AF Hwang, Sooyeon Chang, Wonyoung Kim, Seung Min Su, Dong Kim, Dong Hyun Lee, Jeong Yong Chung, Kyung Yoon Stach, Eric A. TI Investigation of Changes in the Surface Structure of LixNi0.8Co0.15Al0.05O2 Cathode Materials Induced by the Initial Charge SO CHEMISTRY OF MATERIALS LA English DT Article ID LITHIUM-ION BATTERIES; THERMAL-STABILITY; PHASE-TRANSITION; LI; SPECTROSCOPY; DIFFRACTION; INSTABILITY; MICROSCOPY; CELLS; EELS AB We use transmission electron microscopy (TEM) to investigate the evolution of the surface structure of LixNi0.8Co0.15Al0.05O2 cathode materials (NCA) as a function of the extent of first charge at room temperature using a combination of high-resolution electron microscopy (HREM) imaging, selected area electron diffraction (SAED), and. electron energy loss spectroscopy (EELS). It was found that the surface changes from the layered structure (space group R (3) over barm) to the disordered spinel structure (Fd (3) over barm), and eventually to the rock-salt structure (Fm (3) over barm), and that these changes are more substantial as the extent of charge increases. EELS indicates that these crystal structure changes are also accompanied by significant changes in the electronic structure, which are consistent with delithiation leading to both a reduction of the Ni and an increase in the effective electron density of oxygen. This leads to a charge imbalance, which results in the formation of oxygen vacancies and the development of surface porosity. The degree of local surface structure change differs among particles, likely due to kinetic factors that are manifested with changes in particle size. These results demonstrate that TEM, when coupled with EELS, can provide detailed information about the crystallographic and electronic structure changes that occur at the surface of these materials during delithiation. This information is of critical importance for obtaining a complete understanding of the mechanisms by which both degradation and thermal runaway initiate in these electrode materials. C1 [Hwang, Sooyeon; Chang, Wonyoung; Kim, Dong Hyun; Chung, Kyung Yoon] Korea Inst Sci & Technol, Ctr Energy Convergence, Seoul 136791, South Korea. [Hwang, Sooyeon; Su, Dong; Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Hwang, Sooyeon; Lee, Jeong Yong] Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Taejon 305701, South Korea. [Hwang, Sooyeon; Lee, Jeong Yong] Inst for Basic Sci, Ctr Nanomat & Chem React, Taejon 305701, South Korea. [Kim, Seung Min] Korea Inst Sci & Technol, Carbon Convergence Mat Res Ctr, Wanju Gun 565905, South Korea. RP Chang, W (reprint author), Korea Inst Sci & Technol, Ctr Energy Convergence, Seoul 136791, South Korea. EM cwy@kist.re.kr; estach@bnl.gov RI Hwang, Sooyeon/H-8593-2012; Stach, Eric/D-8545-2011; Lee, Jeong Yong/C-8864-2011; Su, Dong/A-8233-2013; Chung, Kyung Yoon/E-4646-2011 OI Stach, Eric/0000-0002-3366-2153; Su, Dong/0000-0002-1921-6683; Chung, Kyung Yoon/0000-0002-1273-746X FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; K-GRL Program; Korea Institute of Science and Technology [2Z04020]; National Research Foundation of Korea; Korean Government (MEST) [NRF-2011-C1AAA001-0030538] FX Research was carried out in large part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. The authors also acknowledge support from the K-GRL Program funded by the Korea Institute of Science and Technology (Project No. 2Z04020). This work was supported by the National Research Foundation of Korea Grant funded by the Korean Government (MEST) (NRF-2011-C1AAA001-0030538). NR 22 TC 57 Z9 60 U1 28 U2 164 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 JAN 28 PY 2014 VL 26 IS 2 BP 1084 EP 1092 DI 10.1021/cm403332s PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PE UT WOS:000330543600026 ER PT J AU Hu, EY Bak, SM Liu, J Yu, XQ Zhou, YN Ehrlich, SN Yang, XQ Nam, KW AF Hu, Enyuan Bak, Seong-Min Liu, Jue Yu, Xiqian Zhou, Yongning Ehrlich, Steven N. Yang, Xiao-Qing Nam, Kyung-Wan TI Oxygen-Release-Related Thermal Stability and Decomposition Pathways of LixNi0.5Mn1.5O4 Cathode Materials SO CHEMISTRY OF MATERIALS LA English DT Article DE Li-ion battery; safety; high voltage spinet; in situ X-ray diffraction; EXAFS ID LITHIUM-ION BATTERIES; 5 V; LINI0.5MN1.5O4 SPINEL; ELECTRODE MATERIALS; PARTICLE-SIZE; PERFORMANCE; CELLS; LINI1/2MN3/2O4; DIFFRACTION; IMPROVEMENT AB The thermal stability of charged cathode materials is one of the critical properties affecting the safety characteristics of lithium-ion batteries. New findings on the thermal-stability and thermal-decomposition pathways related to the oxygen release are discovered for the high-voltage spinel LixNi0.5Mn1.5O4 (LNMO) with ordered (o-) and disordered (d-) structures at the fully delithiated (charged) state using a combination of in situ time-resolved X-ray diffraction (TR-XRD) coupled with mass spectroscopy (MS) and X-ray absorption spectroscopy ()CAS) during heating. Both o- and d-LixNi0.5Mn1.5O4, at their fully charged states, start oxygen-releasing structural changes at temperatures below 300 degrees C, which is in sharp contrast to the good thermal stability of the 4V-spinel LixMn2O4 with no oxygen being released up to 375 degrees C. This is mainly caused by the presence of Ni4+ in LNMO, which undergoes dramatic reduction during the thermal decomposition. In addition, charged o-LNMO shows better thermal stability than the d-LNMO counterpart, due to the Ni/Mn ordering and smaller amount of the rock-salt impurity phase in o-LNMO. Two newly identified thermal-decomposition pathways from the initial LixNi0.5Mn1.5O4 spinel to the final NiMn2O4-type spinel structure with and without the intermediate phases (NiMnO3 and alpha-Mn2O3) are found to play key roles in thermal stability and oxygen release of LNMO during thermal decomposition. C1 [Hu, Enyuan; Bak, Seong-Min; Liu, Jue; Yu, Xiqian; Zhou, Yongning; Ehrlich, Steven N.; Yang, Xiao-Qing; Nam, Kyung-Wan] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Yang, XQ (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM xyang@bnl.gov; knam@bnl.gov RI Zhou, Yong-Ning/I-9579-2014; Nam, Kyung-Wan/B-9029-2013; Nam, Kyung-Wan/E-9063-2015; Hu, Enyuan/D-7492-2016; Yu, Xiqian/B-5574-2014; LIU, JUE/I-8631-2016; Bak, Seong Min/J-4597-2013; OI Nam, Kyung-Wan/0000-0001-6278-6369; Nam, Kyung-Wan/0000-0001-6278-6369; Hu, Enyuan/0000-0002-1881-4534; Yu, Xiqian/0000-0001-8513-518X; LIU, JUE/0000-0002-4453-910X; Bak, Seong-Min/0000-0002-1626-5949 FU U.S. Department of Energy, Office of Vehicle Technologies [DE-AC02-98CH10886]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work was supported by the U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies under Contract Number DE-AC02-98CH10886. 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 authors acknowledge technical support by the NSLS's beamline scientists Dr. Sanjaya Senanayake at X7B and Drs. Nebojsa Marinkovic and Syed Khalid at X18A. NR 48 TC 13 Z9 13 U1 8 U2 184 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 JAN 28 PY 2014 VL 26 IS 2 BP 1108 EP 1118 DI 10.1021/cm403400y PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PE UT WOS:000330543600029 ER PT J AU Guo, XF Tavakoli, AH Sutton, S Kukkadapu, RK Qi, L Lanzirotti, A Newville, M Asta, M Navrotsky, A AF Guo, Xiaofeng Tavakoli, Amir H. Sutton, Steve Kukkadapu, Ravi K. Qi, Liang Lanzirotti, Antonio Newville, Matt Asta, Mark Navrotsky, Alexandra TI Cerium Substitution in Yttrium Iron Garnet: Valence State, Structure, and Energetics SO CHEMISTRY OF MATERIALS LA English DT Article DE cerium; yttrium iron garnet; nuclear waste form; calorimetry; X-ray absorption spectroscopy; Mossbauer spectroscopy; density functional theory ID HIGH-TEMPERATURE CALORIMETRY; MELT SOLUTION CALORIMETRY; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; CRYSTAL CHEMISTRY; FERRITE-GARNETS; BASIS-SET; MOSSBAUER; OXIDES; YIG AB The garnet structure is a promising nuclear waste form because it can accommodate various actinide elements. Yttrium iron garnet, Y3Fe5O12 (YIG), is a model composition for such substitutions. Since cerium (Ce) can be considered an analogue of actinide elements such as thorium (Th), plutonium (Pu), and uranium (U), studying the local structure and thermodynamic stability of Ce-substituted YIG (Ce:YIG) can provide insights into the structural and energetic aspects of large ion substitution in garnets. Single phases of YIG with Ce substitution up to 20 mol % (Y3-xCexFe5O12 with 0 <= x <= 0.2) were synthesized through a citrate-nitrate combustion method. The oxidation state of Ce was examined by X-ray absorption near edge structure spectroscopy (XANES); the oxidation state and site occupancy of iron (Fe) as a function of Ce loading also was monitored by Fe-57-Mossbauer spectroscopy. These measurements establish that Ce is predominantly in the trivalent state at low substitution levels, while a mixture of trivalent and tetravalent states is observed at higher concentrations. Fe was predominately trivalent and exists in multiple environments. High temperature oxide melt solution calorimetry was used to determine the enthalpy of formation of these Ce-substituted YIGs. The thermodynamic analysis demonstrated that, although there is an entropic driving force for the substitution of Ce for Y, the substitution reaction is enthalpically unfavorable. The experimental results are complemented by electronic structure calculations performed within the framework of density functional theory (DFT) with Hubbard-U corrections, which reproduce the observed increase in the tendency for tetravalent Ce to be present with a higher loading of Ce. The DFT+U results suggest that the energetics underlying the formation of tetravalent Ce involve a competition between an unfavorable energy to oxidize Ce and reduce Fe and a favorable contribution due to strain-energy reduction. The structural and thermodynamic findings suggest a strategy to design thermodynamically favorable substitutions of actinides in the garnet system. C1 [Guo, Xiaofeng; Tavakoli, Amir H.; Navrotsky, Alexandra] Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA. [Guo, Xiaofeng; Tavakoli, Amir H.; Navrotsky, Alexandra] Univ Calif Davis, NEAT ORU, Davis, CA 95616 USA. [Sutton, Steve; Lanzirotti, Antonio; Newville, Matt] Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60637 USA. [Sutton, Steve] Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. [Kukkadapu, Ravi K.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Qi, Liang; Asta, Mark] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Navrotsky, A (reprint author), Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA. EM anavrotsky@ucdavis.edu RI Qi, Liang/A-3851-2010; Guo, Xiaofeng/D-6365-2015 OI Qi, Liang/0000-0002-0201-9333; Guo, Xiaofeng/0000-0003-3129-493X FU Materials Science of Actinides, an Energy Frontier Research Center; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences [DESC0001089]; DOE's Office of Biological and Environmental Research; U.S. DOE [DE-AC06-76RLO1930]; National Science Foundation-Earth Sciences [EAR-1128799]; Department of Energy-Geo Sciences [DE-FG02-94ER14466]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors thank Dat V. Quach for the valuable discussion of thermodynamic data in terms of energetics of substitution. The main part of this work (synthesis, calorimetry, characterization, computation, and thermodynamic analysis) was supported as part of the Materials Science of Actinides, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences under Award Number DESC0001089. Mossbauer spectroscopic analysis was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the U.S. DOE under contract DE-AC06-76RLO1930. XANES spectroscopy was performed at GeoSoilEnviroCARS (Sector 13), Advanced Photon Source (APS), Argonne National Laboratory. GeoSoilEnviroCARS is supported by the National Science Foundation-Earth Sciences (EAR-1128799) and Department of Energy-Geo Sciences (DE-FG02-94ER14466). 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 53 TC 14 Z9 14 U1 7 U2 70 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 JAN 28 PY 2014 VL 26 IS 2 BP 1133 EP 1143 DI 10.1021/cm403444f PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PE UT WOS:000330543600032 ER PT J AU Banuelos, JL Feng, G Fulvio, PF Li, S Rother, G Dai, S Cummings, PT Wesolowski, DJ AF Banuelos, Jose Leobardo Feng, Guang Fulvio, Pasquale F. Li, Song Rother, Gernot Dai, Sheng Cummings, Peter T. Wesolowski, David J. TI Densification of Ionic Liquid Molecules within a Hierarchical Nanoporous Carbon Structure Revealed by Small-Angle Scattering and Molecular Dynamics Simulation SO CHEMISTRY OF MATERIALS LA English DT Article DE room temperature ionic liquid; mesoporous carbon; energy storage; interfacial structure; nanoconfinement ID X-RAY-SCATTERING; ALKYL CHAIN-LENGTH; NITROGEN ADSORPTION; FORCE-FIELD; NANOSTRUCTURED MATERIALS; RESORCINOL-FORMALDEHYDE; ATOMISTIC SIMULATION; TRANSPORT-PROPERTIES; MESOPOROUS CARBONS; POROUS MATERIALS AB The molecular-scale properties of the room temperature ionic liquid (RTIL) 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide, [C(4)mim(+)] [Tf2N-], confined in nanometer-scale carbon pores have been investigated using small-angle X-ray and neutron scattering and fully atomistic molecular dynamics simulations. [C(4)mim(+)] [Tf2N-] densities significantly higher than that of the bulk fluid at the same temperature and pressure result from the strong affinity of the RTIL cation with the carbon surface during the initial filling of slitlike, subnanometer micropores along the mesopore surfaces. Subsequent filling of cylindrical similar to 8 nm mesopores in the mesoporous carbon matrix is accompanied by weak RTIL densification. The relative size of the micropores compared to the ion dimension, and the strong interaction between the RTIL and the slit-like micropore, disrupt the bulk RTIL structure. This results in a low-excluded volume, high-RTIL ion density configuration. The observed interfacial phenomena are simulated using a molecular dynamics model consisting of a linear combination of mesopore and micropore effects. These observations highlight the importance of including the effects of a porous substrate's internal surface morphology, especially roughness and microporosity, on the resulting electrolyte structural properties and performance in electrical energy storage applications. C1 [Banuelos, Jose Leobardo; Fulvio, Pasquale F.; Rother, Gernot; Dai, Sheng; Wesolowski, David J.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Feng, Guang; Li, Song; Cummings, Peter T.] Vanderbilt Univ, Dept Chem & Biomol Engn, Nashville, TN 37235 USA. RP Feng, G (reprint author), Vanderbilt Univ, Dept Chem & Biomol Engn, Nashville, TN 37235 USA. EM banuelosjl@ornl.gov; guang.feng@vanderbilt.edu RI Feng, Guang/D-8989-2011; Rother, Gernot/B-7281-2008; Fulvio, Pasquale/B-2968-2014; Banuelos, Jose/L-1561-2013; Dai, Sheng/K-8411-2015; OI Rother, Gernot/0000-0003-4921-6294; Fulvio, Pasquale/0000-0001-7580-727X; Banuelos, Jose/0000-0003-4644-526X; Dai, Sheng/0000-0002-8046-3931; Feng, Guang/0000-0001-6659-9181 FU Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This work was supported as part of the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. The SAXS portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. The SANS portion of this 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. G.F. thanks the Palmetto Cluster at Clemson University for providing computing resources. The authors would like to acknowledge C. Liao of the Chemical Sciences Division (CSD) at Oak Ridge National Laboratory (ORNL) for performing the anion exchange in the deuterated RTIL. The authors also acknowledge A.J. Rondinone and E.A. Payzant of ORNL for support with the SAXS setup, as well as C. Do and W. Heller of ORNL for beam line support during the SANS measurements. NR 92 TC 12 Z9 12 U1 6 U2 85 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 JAN 28 PY 2014 VL 26 IS 2 BP 1144 EP 1153 DI 10.1021/cm4035159 PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PE UT WOS:000330543600033 ER PT J AU Xu, J Lee, DH Clement, RJ Yu, XQ Leskes, M Pell, AJ Pintacuda, G Yang, XQ Grey, CP Meng, YS AF Xu, Jing Lee, Dae Hoe Clement, Raphaele J. Yu, Xiqian Leskes, Michal Pell, Andrew J. Pintacuda, Guido Yang, Xiao-Qing Grey, Clare P. Meng, Ying Shirley TI Identifying the Critical Role of Li Substitution in P2-Na-x[LiyNizMn1-y-z]O-2 (0 < x, y, z < 1) Intercalation Cathode Materials for High-Energy Na-Ion Batteries SO CHEMISTRY OF MATERIALS LA English DT Article ID SOLID-STATE NMR; ELECTROCHEMICAL INTERCALATION; PHYSICAL-PROPERTIES; ADIABATIC PULSES; TRANSITION; LITHIUM; SODIUM; OXIDES; O3; SPECTROSCOPY AB Li-substituted layered P2-Na-0.80[Li0.12Ni0.22Mn0.66]O-2 is investigated as an advanced cathode material for Na-ion batteries. Both neutron diffraction and nuclear magnetic resonance (NMR) spectroscopy are used to elucidate the local structure, and they reveal that most of the Li ions are located in transition metal (TM) sites, Preferably surrounded by Mn ions. To characterize structural changes occurring upon electrochemical cycling, in situ synchrotron X-ray diffraction is conducted. It is clearly demonstrated that no significant phase transformation is observed up to 4.4 V charge for this material, unlike Li-free P2-type Na cathodes. The presence of monovalent Li ions in the TM layers allows more Na ions to reside in the prismatic sites, stabilizing the overall charge balance of the compound. Consequently, more Na ions remain in the compound upon charge, the P2 structure is retained in the high voltage region, and the phase transformation is delayed. Ex situ NMR is conducted on samples at different states of charge/discharge to track Li-ion site occupation changes. Surprisingly, Li is found to be mobile, some Li ions migrate from the TM layer to the Na layer at high voltage, and yet this process is highly reversible. Novel design principles for Na cathode materials are proposed on the basis of an atomistic level understanding of the underlying electrochemical processes. These principles enable us to devise an optimized, high capacity, and structurally stable compound as a potential cathode material for high-energy Na-ion batteries. C1 [Xu, Jing; Lee, Dae Hoe; Meng, Ying Shirley] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA. [Clement, Raphaele J.; Leskes, Michal; Grey, Clare P.] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England. [Yu, Xiqian; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Pell, Andrew J.; Pintacuda, Guido] Univ Lyon 1, Ecole Normale Super Lyon, UMR CNRS 5280, Ctr RMN Tres Hauts Champs, F-69100 Villeurbanne, France. RP Meng, YS (reprint author), Univ Calif San Diego, Dept NanoEngn, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM shirleymeng@ucsd.edu RI Leskes, Michal/J-4674-2015; Yu, Xiqian/B-5574-2014 OI Leskes, Michal/0000-0002-7172-9689; Yu, Xiqian/0000-0001-8513-518X FU National Science Foundation [1057170]; EU; LABEX MUST of Universite de Lyon [ANR-10-LABX-0064]; U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies [DEAC02-98CH10886] FX We acknowledge support from the National Science Foundation under Award Number 1057170. The neutron diffraction was conducted at Oak Ridge National Laboratory on POWGEN beamline by mail-in program. The ex situ synchrotron X-ray diffraction patterns were collected at Argonne National Laboratory on beamline 11-BM through the general user proposal mail-in program. NMR experiments at 500 MHz field were conducted at the Centre de Resonance Magnetique Nucleaire a Tres Hauts Champs (CRMN), Institut des Sciences Analytiques, Villeurbanne, France. We thank Prof. Lyndon Emsley many helpful discussions concerning the NMR experiments. NMR experiments at 200 MHz field were performed at the University of Cambridge, Cambridge, UK. R.J.C. acknowledges support from the European Research Council (ERC). M.L. thanks the EU Marie Curie intra-European fellowship for funding. A.J.P. was supported by the LABEX MUST (ANR-10-LABX-0064) of the Universite de Lyon, within the program "Investissements d'Avenir" (ANR-11-IDEX-0007) operated by the Agence Nationale de la Recherche (ANR). X.Y. and X.-Q.Y. were supported by the U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies under Contract Number DEAC02-98CH10886. The technical support from beamline scientists at X11B and X14A of NSLS is gratefully acknowledged. NR 38 TC 73 Z9 75 U1 27 U2 190 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 JAN 28 PY 2014 VL 26 IS 2 BP 1260 EP 1269 DI 10.1021/cm403855t PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PE UT WOS:000330543600047 ER PT J AU Garcia-Martin, S Urones-Garrote, E King, G Woodward, P AF Garcia-Martin, Susana Urones-Garrote, Esteban King, Graham Woodward, Patrick TI Comment on "Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3-xTiO3 Perovskites" SO CHEMISTRY OF MATERIALS LA English DT Editorial Material C1 [Garcia-Martin, Susana; Urones-Garrote, Esteban] Univ Complutense, Fac Ciencias Quim, Dept Quim Inorgan, E-28040 Madrid, Spain. [King, Graham] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. [Woodward, Patrick] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. RP King, G (reprint author), Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. EM gking@lanl.gov RI King, Graham/E-3632-2010; Garcia-Martin, Susana/E-4850-2016 OI King, Graham/0000-0003-1886-7254; Garcia-Martin, Susana/0000-0003-0729-4892 NR 1 TC 0 Z9 0 U1 1 U2 11 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 JAN 28 PY 2014 VL 26 IS 2 BP 1286 EP 1287 DI 10.1021/cm403365d PG 2 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PE UT WOS:000330543600050 ER PT J AU Cai, N Liu, QQ Tong, X Zhou, GW AF Cai, Na Liu, Qianqian Tong, Xiao Zhou, Guangwen TI X-ray Photoelectron Spectroscopy Study of the Passivation of NiAl(100) by Water Vapor SO LANGMUIR LA English DT Article ID ALUMINUM-OXIDE FILMS; THERMAL-OXIDATION; FUNDAMENTAL-ASPECTS; EPITAXIAL-GROWTH; SOLID-SURFACES; TEMPERATURE; HETEROSTRUCTURES; DECOMPOSITION; MECHANISMS; STABILITY AB The oxidation of NiAl(100) surfaces by water vapor is studied using X-ray photoelectron spectroscopy (XPS) to elucidate the effect of temperature and vapor pressure on the surface passivation mechanism of the NiAl alloy. The water-vapor oxidation at ambient temperature (25 degrees C) results in self-limiting Al(OH)(3)/Al2O3 bilayer film growth to a less extent of the limiting thickness regimes, in which the growth of the inner Al2O3 layer occurs via dehydration of the outer Al(OH)(3) layer. The growth of the passivating overlayer at the ambient temperature depletes Al and forms a Ni-rich layer at the oxide/alloy interface that impedes supply of Al atoms to the outer surface for Al(OH)(3) formation via the hydration reaction, whereby resulting in a more Al-deficient structure of the outer Al(OH)(3) layer upon increasing the vapor pressure. In contrast, the water-vapor oxidation at 300 degrees C results in Al2O3 single-layer film growth to a larger limiting thickness without involving the transient hydroxide phase of Al(OH)(3). It is shown that increasing the oxidation temperatures results in the formation of a more compact Al2O3 film owning to the enhanced bulk diffusion rate that maintains an adequate supply of Al atoms to the oxide/alloy interface to sustain the oxide film growth to the full extent of the limiting thickness. C1 [Cai, Na; Liu, Qianqian; Zhou, Guangwen] SUNY Binghamton, Dept Mech Engn, Binghamton, NY 13902 USA. [Cai, Na; Liu, Qianqian; Zhou, Guangwen] SUNY Binghamton, Multidisciplinary Program Mat Sci & Engn, Binghamton, NY 13902 USA. [Tong, Xiao] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Zhou, GW (reprint author), SUNY Binghamton, Dept Mech Engn, Binghamton, NY 13902 USA. EM gzhou@binghamton.edu FU National Science Foundation [CBET-0932814]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work was supported by the National Science Foundation Grant CBET-0932814. Research carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract DE-AC02-98CH10886. NR 41 TC 2 Z9 3 U1 3 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JAN 28 PY 2014 VL 30 IS 3 BP 774 EP 783 DI 10.1021/la4039649 PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PF UT WOS:000330543700013 PM 24417205 ER PT J AU Saha, D Li, YC Bi, ZH Chen, JH Keum, JK Hensley, DK Grappe, HA Meyer, HM Dai, S Paranthaman, MP Naskar, AK AF Saha, Dipendu Li, Yunchao Bi, Zhonghe Chen, Jihua Keum, Jong K. Hensley, Dale K. Grappe, Hippolyte A. Meyer, Harry M., III Dai, Sheng Paranthaman, M. Parans Naskar, A. K. TI Studies on Supercapacitor Electrode Material from Activated Lignin-Derived Mesoporous Carbon SO LANGMUIR LA English DT Article ID DOUBLE-LAYER CAPACITOR; ELECTROCHEMICAL IMMITTANCE SPECTROSCOPY; SINGLE-CRYSTAL ELECTRODES; PORE-SIZE; HYDROTHERMAL SYNTHESIS; ANION ADSORPTION; MOLECULAR-SIEVES; POROUS CARBONS; SURFACE-AREA; IMPEDANCE AB We synthesized mesoporous carbon from pre-cross-linked lignin gel impregnated with a surfactant as the pore-forming agent and then activated the carbon through physical and chemical methods to obtain activated mesoporous carbon. The activated mesoporous carbons exhibited 1.5- to 6-fold increases in porosity with a maximum Brunauer-Emmett Teller (BET) specific surface area of 1148 m(2)/g and a pore volume of 1.0 cm(3)/g. Both physical and chemical activation enhanced the mesoporosity along with significant microporosity. Plots of cyclic voltammetric data with the capacitor electrode made from these carbons showed an almost rectangular curve depicting the behavior of ideal double-layer capacitance. Although the pristine mesoporous carbon exhibited a range of surface-area-based capacitance similar to that of other known carbon-based supercapacitors, activation decreased the surface-area-based specific capacitance and enhanced the gravimetric specific capacitance of the mesoporous carbons. A vertical tail in the lower-frequency domain of the Nyquist plot provided additional evidence of good supercapacitor behavior for the activated mesoporous carbons. We have modeled the equivalent circuit of the Nyquist plot with the help of two constant phase elements (CPE). Our work demonstrated that biomass-derived mesoporous carbon materials continue to show potential for use in specific electrochemical applications. C1 [Saha, Dipendu; Grappe, Hippolyte A.; Meyer, Harry M., III; Naskar, A. K.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37931 USA. [Li, Yunchao; Bi, Zhonghe; Dai, Sheng; Paranthaman, M. Parans] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37931 USA. [Chen, Jihua; Keum, Jong K.; Hensley, Dale K.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37931 USA. [Li, Yunchao; Paranthaman, M. Parans] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA. RP Naskar, AK (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37931 USA. EM naskarak@ornl.gov RI Chen, Jihua/F-1417-2011; Paranthaman, Mariappan/N-3866-2015; Hensley, Dale/A-6282-2016; Dai, Sheng/K-8411-2015; Keum, Jong/N-4412-2015; OI Chen, Jihua/0000-0001-6879-5936; Paranthaman, Mariappan/0000-0003-3009-8531; Hensley, Dale/0000-0001-8763-7765; Dai, Sheng/0000-0002-8046-3931; Keum, Jong/0000-0002-5529-1373; Li, Yunchao/0000-0001-5460-5855 FU Laboratory Directed Research and Development Program at Oak Ridge National Laboratory; Materials Sciences and Engineering Division, Office of Basic Energy Sciences, U.S. Department of Energy; ORNL by the Division of Scientific User Facilities, U.S. Department of Energy FX Research on the synthesis of lignin-based carbon materials was sponsored by the Laboratory Directed Research and Development Program at Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. The research on supercapacitor fabrication and electrochemical testing was sponsored by the Materials Sciences and Engineering Division, Office of Basic Energy Sciences, U.S. Department of Energy. X-ray scattering and electron microscopy experiments were conducted at the Center for Nanophase Materials Sciences, which is sponsored at ORNL by the Division of Scientific User Facilities, U.S. Department of Energy. We acknowledge the generous donation of Pluronic F127 by BASF. NR 50 TC 72 Z9 73 U1 36 U2 301 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JAN 28 PY 2014 VL 30 IS 3 BP 900 EP 910 DI 10.1021/la404112m PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 301PF UT WOS:000330543700028 PM 24400670 ER PT J AU Hiroi, T Ohl, M Sakai, T Shibayama, M AF Hiroi, Takashi Ohl, Michael Sakai, Takamasa Shibayama, Mitsuhiro TI Multiscale Dynamics of Inhomogeneity-Free Polymer Gels SO MACROMOLECULES LA English DT Article ID NEUTRON-SPIN-ECHO; LIGHT-SCATTERING; CONCENTRATION FLUCTUATIONS; STRUCTURAL-ANALYSIS; NETWORK; SPECTROMETER; HYDROGEL; RUBBER; SNS AB For precise understanding of the dynamics of gels, it is necessary to distinguish the effect of inherent cross-linking from accompanying inhomogeneity. This separation is realized by the use of inhomogeneity-free gel such as Tetra-PEG gel. We investigated the dynamics of Tetra-PEG gel by quasi-elastic scattering. Mesoscopic (length scale: similar to 100 nm) motion was measured by dynamic light scattering (DLS). In addition to this scale, we used neutron spin echo (NSE) to measure microscopic (length scale: similar to 1 nm) motion. From these measurements, it is revealed that the gels with no connectivity/topological inhomogeneities show the transition from Zimm mode to collective diffusion mode in larger length scale, even beyond the q-range of NSE. In addition to this, the absence of spatial inhomogeneities is reflected as disappearance of nondecay component in the intermediate dynamic structure factor. Through the combination analysis of DLS and NSE, the multiscale dynamics of gels is elucidated. C1 [Hiroi, Takashi; Shibayama, Mitsuhiro] Univ Tokyo, Inst Solid State Phys, Kashiwa, Chiba 2778581, Japan. [Ohl, Michael] Oak Ridge Natl Lab, Julich Ctr Neutron Sci, Spallat Neutron Source, Oak Ridge, TN 37831 USA. [Sakai, Takamasa] Univ Tokyo, Sch Engn, Dept Bioengn, Bunkyo Ku, Tokyo 1138656, Japan. RP Shibayama, M (reprint author), Univ Tokyo, Inst Solid State Phys, 5-1-5 Kashiwanoha, Kashiwa, Chiba 2778581, Japan. EM sibayama@issp.u-tokyo.ac.jp RI Shibayama, Mitsuhiro/E-1646-2015 OI Shibayama, Mitsuhiro/0000-0002-8683-5070 FU Ministry of Education, Culture, Sports, Science, and Technology [22245018]; JCNS; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; Advanced Leading Graduate Course for Photon Science, Program for Leading Graduate Schools, Japan Society for the Promotion of Science; Institute for Solid State Physics (ISSP), the University of Tokyo, at the Research Reactor JRR-3, JAEA [13612] FX This work has been financially supported by Grants-in-Aid for Scientific Research from the Ministry of Education, Culture, Sports, Science, and Technology (No. 22245018 to M.S.). The NSE experiment was performed by SNS-NSE (BL15) at SNS, Oak Ridge, TN. The authors gratefully acknowledge the financial support provided by JCNS and the use of the JCNS-NSE instrument at the Spallation Neutron Source (SNS), Oak Ridge, USA. Part of the research conducted at SNS was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. T.H. acknowledges the support from Advanced Leading Graduate Course for Photon Science, Program for Leading Graduate Schools, Japan Society for the Promotion of Science. This work was carried out under the Joint-Use Research Program for Neutron Scattering, Institute for Solid State Physics (ISSP), the University of Tokyo, at the Research Reactor JRR-3, JAEA (Proposal No. 13612). NR 29 TC 7 Z9 7 U1 7 U2 83 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 JAN 28 PY 2014 VL 47 IS 2 BP 763 EP 770 DI 10.1021/ma402439v PG 8 WC Polymer Science SC Polymer Science GA 301PD UT WOS:000330543500034 ER PT J AU Glebes, TY Sandoval, NR Reeder, PJ Schilling, KD Zhang, M Gill, RT AF Glebes, Tirzah Y. Sandoval, Nicholas R. Reeder, Philippa J. Schilling, Katherine D. Zhang, Min Gill, Ryan T. TI Genome-Wide Mapping of Furfural Tolerance Genes in Escherichia coli SO PLOS ONE LA English DT Article ID ETHANOL-PRODUCTION; LIPOPOLYSACCHARIDE BIOSYNTHESIS; SCALE IDENTIFICATION; OUTER-MEMBRANE; PLASMID DNA; OVEREXPRESSION; GROWTH; EXPRESSION; EVOLUTION; STRAINS AB Advances in genomics have improved the ability to map complex genotype-to-phenotype relationships, like those required for engineering chemical tolerance. Here, we have applied the multiSCale Analysis of Library Enrichments (SCALEs; Lynch et al. (2007) Nat. Method.) approach to map, in parallel, the effect of increased dosage for >10(5) different fragments of the Escherichia coli genome onto furfural tolerance (furfural is a key toxin of lignocellulosic hydrolysate). Only 268 of >4,000 E. coli genes (similar to 6%) were enriched after growth selections in the presence of furfural. Several of the enriched genes were cloned and tested individually for their effect on furfural tolerance. Overexpression of thyA, lpcA, or groESL individually increased growth in the presence of furfural. Overexpression of lpcA, but not groESL or thyA, resulted in increased furfural reduction rate, a previously identified mechanism underlying furfural tolerance. We additionally show that plasmid-based expression of functional LpcA or GroESL is required to confer furfural tolerance. This study identifies new furfural tolerant genes, which can be applied in future strain design efforts focused on the production of fuels and chemicals from lignocellulosic hydrolysate. C1 [Glebes, Tirzah Y.; Sandoval, Nicholas R.; Reeder, Philippa J.; Schilling, Katherine D.; Gill, Ryan T.] Univ Colorado, Boulder, CO 80309 USA. [Zhang, Min] Natl Bioenergy Ctr, Natl Renewable Energy Lab, Golden, CO USA. RP Gill, RT (reprint author), Univ Colorado, Boulder, CO 80309 USA. EM rtg@colorado.edu FU Department of Energy [ZCO-7-77431-001]; National Science Foundation [CBET 1067730]; National Science Foundation FX This work was supported by the Department of Energy through subcontract no. ZCO-7-77431-001 to the National Renewable Energy Laboratory. This work was also supported by the National Science Foundation award number CBET 1067730. With the exception of study conception and roles consistent with authorship by MZ, the funding agencies had no role in the study design, data collection and analysis, or decision to publish. TYG and NRS were supported as National Science Foundation Graduate Research Fellowship Program recipients. NR 69 TC 9 Z9 9 U1 0 U2 19 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 JAN 28 PY 2014 VL 9 IS 1 AR e87540 DI 10.1371/journal.pone.0087540 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 301CJ UT WOS:000330510000142 PM 24489935 ER PT J AU Zhou, S Sokolov, A Lavrentovich, OD Aranson, IS AF Zhou, Shuang Sokolov, Andrey Lavrentovich, Oleg D. Aranson, Igor S. TI Living liquid crystals SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE motile bacteria; self-organization; cromonic liquid crystals ID ACTIVE MATTER; COLLECTIVE MOTION; BACTERIA; FLUIDS AB Collective motion of self-propelled organisms or synthetic particles, often termed "active fluid," has attracted enormous attention in the broad scientific community because of its fundamentally nonequilibrium nature. Energy input and interactions among the moving units and the medium lead to complex dynamics. Here, we introduce a class of active matter-living liquid crystals (LLCs)-that combines living swimming bacteria with a lyotropic liquid crystal. The physical properties of LLCs can be controlled by the amount of oxygen available to bacteria, by concentration of ingredients, or by temperature. Our studies reveal a wealth of intriguing dynamic phenomena, caused by the coupling between the activity-triggered flow and long-range orientational order of the medium. Among these are (i) nonlinear trajectories of bacterial motion guided by nonuniform director, (ii) local melting of the liquid crystal caused by the bacteria-produced shear flows, (iii) activity-triggered transition from a nonflowing uniform state into a flowing one-dimensional periodic pattern and its evolution into a turbulent array of topological defects, and (iv) birefringenceenabled visualization of microflow generated by the nanometersthick bacterial flagella. Unlike their isotropic counterpart, the LLCs show collective dynamic effects at very low volume fraction of bacteria, on the order of 0.2%. Our work suggests an unorthodox design concept to control and manipulate the dynamic behavior of soft active matter and opens the door for potential biosensing and biomedical applications. C1 [Zhou, Shuang; Lavrentovich, Oleg D.] Kent State Univ, Inst Liquid Crystal, Kent, OH 44242 USA. [Zhou, Shuang; Lavrentovich, Oleg D.] Kent State Univ, Chem Phys Interdisciplinary Program, Kent, OH 44242 USA. [Sokolov, Andrey; Aranson, Igor S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Aranson, Igor S.] Northwestern Univ, Evanston, IL 60202 USA. RP Lavrentovich, OD (reprint author), Kent State Univ, Inst Liquid Crystal, Kent, OH 44242 USA. EM olavrent@kent.edu; aronson@anl.gov FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering [DE AC02-06CH11357]; National Science Foundation [DMR 1104850] FX The research of A.S. and I. S.A. was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering, under Contract DE AC02-06CH11357. O.D.L. and S.Z. were supported by National Science Foundation Grant DMR 1104850. NR 31 TC 83 Z9 83 U1 11 U2 126 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 JAN 28 PY 2014 VL 111 IS 4 BP 1265 EP 1270 DI 10.1073/pnas.1321926111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 297BV UT WOS:000330231100026 PM 24474746 ER PT J AU Li, Y Doak, P Kronik, L Neaton, JB Natelson, D AF Li, Yajing Doak, Peter Kronik, Leeor Neaton, Jeffrey B. Natelson, Douglas TI Voltage tuning of vibrational mode energies in single-molecule junctions SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE plasmonics; nanoscale junctions; molecular electronics ID ENHANCED RAMAN-SPECTROSCOPY; ELECTRONIC TRANSPORT; BREAK-JUNCTION; DOUBLE-LAYER; SCATTERING; FIELDS; FULLERENE; DYNAMICS; STATES; SERS AB Vibrational modes of molecules are fundamental properties determined by intramolecular bonding, atomic masses, and molecular geometry, and often serve as important channels for dissipation in nanoscale processes. Although single-molecule junctions have been used to manipulate electronic structure and related functional properties of molecules, electrical control of vibrational mode energies has remained elusive. Here we use simultaneous transport and surface-enhanced Raman spectroscopy measurements to demonstrate large, reversible, voltage-driven shifts of vibrational mode energies of C-60 molecules in gold junctions. C-60 mode energies are found to vary approximately quadratically with bias, but in a manner inconsistent with a simple vibrational Stark effect. Our theoretical model instead suggests that the mode shifts are a signature of bias-driven addition of electronic charge to the molecule. These results imply that voltage-controlled tuning of vibrational modes is a general phenomenon at metal-molecule interfaces and is a means of achieving significant shifts in vibrational energies relative to a pure Stark effect. C1 [Li, Yajing; Natelson, Douglas] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. [Doak, Peter] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Doak, Peter; Neaton, Jeffrey B.] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Kronik, Leeor] Weizmann Inst Sci, Dept Mat & Interfaces, IL-76100 Rehovot, Israel. [Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Kavli Energy Nanosci Inst Berkeley, Berkeley, CA 94720 USA. [Natelson, Douglas] Rice Univ, Dept Elect & Comp Engn, Houston, TX 77005 USA. RP Natelson, D (reprint author), Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. EM natelson@rice.edu 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; FU Robert A. Welch Foundation [C-1636]; US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences; US Department of Energy; Israel Science Foundation; Lise Meitner Center for Computational Chemistry FX Y.L. and D.N. acknowledge support from Robert A. Welch Foundation Grant C-1636. Work by P.D. and J.B.N. was supported by the US Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract DE-AC02-05CH11231. Portions of this work at the Molecular Foundry were supported by the Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under the same contract. Computational resources were provided by the National Energy Research Scientific Computing Center. Work by L.K. was supported by the Israel Science Foundation and the Lise Meitner Center for Computational Chemistry. NR 48 TC 26 Z9 26 U1 2 U2 44 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 JAN 28 PY 2014 VL 111 IS 4 BP 1282 EP 1287 DI 10.1073/pnas.1320210111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 297BV UT WOS:000330231100029 PM 24474749 ER PT J AU Hamm, LM Giuffre, AJ Han, N Tao, JH Wang, DB De Yoreo, JJ Dove, PM AF Hamm, Laura M. Giuffre, Anthony J. Han, Nizhou Tao, Jinhui Wang, Debin De Yoreo, James J. Dove, Patricia M. TI Reconciling disparate views of template-directed nucleation through measurement of calcite nucleation kinetics and binding energies SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE biomineralization; self-assembled monolayers; peptides; proteins; functionalized self-assembled monolayers ID SELF-ASSEMBLED MONOLAYERS; MATRIX PROTEIN; SHELL MATRIX; ORIENTED GROWTH; PINCTADA-FUCATA; ORGANIC MATRIX; PEARL OYSTER; CARBONATE; BIOMINERALIZATION; MINERALIZATION AB The physical basis for how macromolecules regulate the onset of mineral formation in calcifying tissues is not well established. A popular conceptual model assumes the organic matrix provides a stereochemical match during cooperative organization of solute ions. In contrast, another uses simple binding assays to identify good promoters of nucleation. Here, we reconcile these two views and provide a mechanistic explanation for template-directed nucleation by correlating heterogeneous nucleation barriers with crystal-substrate-binding free energies. We first measure the kinetics of calcite nucleation onto model substrates that present different functional group chemistries (carboxyl, thiol, phosphate, and hydroxyl) and conformations (C11 and C16 chain lengths). We find rates are substrate-specific and obey predictions of classical nucleation theory at supersaturations that extend above the solubility of amorphous calcium carbonate. Analysis of the kinetic data shows the thermodynamic barrier to nucleation is reduced by minimizing the interfacial free energy of the system, gamma. We then use dynamic force spectroscopy to independently measure calcite-substrate-binding free energies, Delta G(b). Moreover, we show that within the classical theory of nucleation, gamma and Delta G(b) should be linearly related. The results bear out this prediction and demonstrate that low-energy barriers to nucleation correlate with strong crystal-substrate binding. This relationship is general to all functional group chemistries and conformations. These findings provide a physical model that reconciles the long-standing concept of templated nucleation through stereochemical matching with the conventional wisdom that good binders are good nucleators. The alternative perspectives become internally consistent when viewed through the lens of crystal-substrate binding. C1 [Hamm, Laura M.; Giuffre, Anthony J.; Han, Nizhou; Dove, Patricia M.] Virginia Polytech Inst & State Univ, Dept Geosci, Blacksburg, VA 24061 USA. [Tao, Jinhui; Wang, Debin; De Yoreo, James J.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP De Yoreo, JJ (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. EM james.deyoreo@pnnl.gov; dove@vt.edu RI Giuffre, Anthony/D-4192-2016 OI Giuffre, Anthony/0000-0001-9269-7922 FU US Department of Energy (USDOE) Grant DOE [BES-FG02-00ER15112]; National Science Foundation Grant NSF [OCE-1061763]; Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences of the USDOE [DE-AC02-05CH11231] FX We thank R. Friddle for his guidance in learning dynamic force spectroscopy methods, measurements, and analyses. This research was supported by US Department of Energy (USDOE) Grant DOE BES-FG02-00ER15112 (to P.M.D.) and National Science Foundation Grant NSF OCE-1061763. This work was also supported by the Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences of the USDOE under Contract DE-AC02-05CH11231. NR 49 TC 27 Z9 27 U1 11 U2 102 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 JAN 28 PY 2014 VL 111 IS 4 BP 1304 EP 1309 DI 10.1073/pnas.1312369111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 297BV UT WOS:000330231100033 PM 24434555 ER PT J AU Werling, BP Dickson, TL Isaacs, R Gaines, H Gratton, C Gross, KL Liere, H Malmstrom, CM Meehan, TD Ruan, LL Robertson, BA Robertson, GP Schmidt, TM Schrotenboer, AC Teal, TK Wilson, JK Landis, DA AF Werling, Ben P. Dickson, Timothy L. Isaacs, Rufus Gaines, Hannah Gratton, Claudio Gross, Katherine L. Liere, Heidi Malmstrom, Carolyn M. Meehan, Timothy D. Ruan, Leilei Robertson, Bruce A. Robertson, G. Philip Schmidt, Thomas M. Schrotenboer, Abbie C. Teal, Tracy K. Wilson, Julianna K. Landis, Douglas A. TI Perennial grasslands enhance biodiversity and multiple ecosystem services in bioenergy landscapes SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE energy policy; greenhouse gas mitigation ID AGRICULTURE; BIOMASS; CORN; COMMUNITIES; TRADEOFFS; DIVERSITY; HABITAT; MIDWEST; ENERGY AB Agriculture is being challenged to provide food, and increasingly fuel, for an expanding global population. Producing bioenergy crops on marginal lands-farmland suboptimal for food crops-could help meet energy goals while minimizing competition with food production. However, the ecological costs and benefits of growing bioenergy feedstocks-primarily annual grain crops-on marginal lands have been questioned. Here we show that perennial bioenergy crops provide an alternative to annual grains that increases biodiversity of multiple taxa and sustain a variety of ecosystem functions, promoting the creation of multifunctional agricultural landscapes. We found that switchgrass and prairie plantings harbored significantly greater plant, methanotrophic bacteria, arthropod, and bird diversity than maize. Although biomass production was greater in maize, all other ecosystem services, including methane consumption, pest suppression, pollination, and conservation of grassland birds, were higher in perennial grasslands. Moreover, we found that the linkage between biodiversity and ecosystem services is dependent not only on the choice of bioenergy crop but also on its location relative to other habitats, with local landscape context as important as crop choice in determining provision of some services. Our study suggests that bioenergy policy that supports coordinated land use can diversify agricultural landscapes and sustain multiple critical ecosystem services. C1 [Werling, Ben P.; Isaacs, Rufus; Wilson, Julianna K.; Landis, Douglas A.] Michigan State Univ, Dept Entomol, E Lansing, MI 48824 USA. [Werling, Ben P.; Dickson, Timothy L.; Isaacs, Rufus; Gross, Katherine L.; Malmstrom, Carolyn M.; Ruan, Leilei; Robertson, Bruce A.; Robertson, G. Philip; Schmidt, Thomas M.; Schrotenboer, Abbie C.; Teal, Tracy K.; Wilson, Julianna K.; Landis, Douglas A.] Michigan State Univ, US Dept Energy, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Dickson, Timothy L.] Univ Nebraska, Dept Biol, Omaha, NE 68182 USA. [Gaines, Hannah; Gratton, Claudio; Liere, Heidi; Meehan, Timothy D.] Univ Wisconsin, US Dept Energy, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Gaines, Hannah; Gratton, Claudio; Liere, Heidi; Meehan, Timothy D.] Univ Wisconsin, Dept Entomol, Madison, WI 53706 USA. [Gross, Katherine L.; Ruan, Leilei; Robertson, G. Philip] Michigan State Univ, WK Kellogg Biol Stn, Hickory Corners, MI 49060 USA. [Gross, Katherine L.; Malmstrom, Carolyn M.] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. [Ruan, Leilei; Robertson, G. Philip] Michigan State Univ, Dept Plant Soil & Microbial Sci, E Lansing, MI 48824 USA. [Robertson, Bruce A.] Bard Coll, Div Sci Math & Comp, Annandale On Hudson, NY 12504 USA. [Schmidt, Thomas M.] Univ Michigan, Dept Ecol & Evolut Biol, Ann Arbor, MI 48109 USA. [Schrotenboer, Abbie C.] Trinity Christian Coll, Dept Biol, Palos Hts, IL 60463 USA. [Teal, Tracy K.] Michigan State Univ, Dept Microbiol & Microbial Genet, E Lansing, MI 48824 USA. RP Landis, DA (reprint author), Michigan State Univ, Dept Entomol, E Lansing, MI 48824 USA. EM landisd@msu.edu OI Robertson, G/0000-0001-9771-9895; Schmidt, Thomas/0000-0002-8209-6055 FU DOE Great Lakes Bioenergy Research Center DOE Biological and Environmental Research Office of Science [DE-FC02-07ER64494]; DOE Office of the Biomass Program Office of Energy Efficiency and Renewable Energy [DE-AC0576RL01830]; US National Science Foundation Long-Term Ecological Research program Division of Environmental Biology [1027253]; US Department of Agriculture National Institute of Food and Agriculture [2011-67009-30137]; Michigan State University AgBioResearch FX We thank C. Baker, N. Batora, and numerous undergraduate students for help with data collection; S. Nakagawa for advice on effect statistics; D. Schemske and J. Tiedje for critical reviews; cooperating landowners; and Brett Blaauw and the US Department of Energy (DOE) Genomic Science program (http://genomicscience.energy.gov) for illustrations. This work was funded in part by the DOE Great Lakes Bioenergy Research Center DOE Biological and Environmental Research Office of Science (Grant DE-FC02-07ER64494), the DOE Office of the Biomass Program Office of Energy Efficiency and Renewable Energy (Grant DE-AC0576RL01830), the US National Science Foundation Long-Term Ecological Research program Division of Environmental Biology (Grant 1027253), US Department of Agriculture National Institute of Food and Agriculture (Grant 2011-67009-30137), and Michigan State University AgBioResearch. NR 34 TC 70 Z9 71 U1 22 U2 216 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 JAN 28 PY 2014 VL 111 IS 4 BP 1652 EP 1657 DI 10.1073/pnas.1309492111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 297BV UT WOS:000330231100092 PM 24474791 ER PT J AU Phillips, TJ Klein, SA AF Phillips, Thomas J. Klein, Stephen A. TI Land-atmosphere coupling manifested in warm-season observations on the U.S. southern great plains SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID GENERAL-CIRCULATION MODELS; LOW-LEVEL JET; UNITED-STATES; DIURNAL-CYCLE; SURFACE INTERACTIONS; GLOBAL-MODELS; PRECIPITATION; CLIMATE; VARIABILITY; MOISTURE AB This study examines several observational aspects of land-atmosphere coupling on daily average time scales during warm seasons of the years 1997 to 2008 at the Department of Energy Atmospheric Radiation Measurement Program's Southern Great Plains (SGP) Central Facility site near Lamont, Oklahoma. Characteristics of the local land-atmosphere coupling are inferred by analyzing the covariability of selected land and atmospheric variables that include precipitation and soil moisture, surface air temperature, relative humidity, radiant and turbulent fluxes, as well as low-level cloud base height and fractional coverage. For both the energetic and hydrological aspects of this coupling, it is found that large-scale atmospheric forcings predominate, with local feedbacks of the land on the atmosphere being comparatively small much of the time. The relatively weak land feedbacks are manifested especially by (1) the inability of soil moisture to comprehensively impact the coupled land-atmosphere energetics and (2) the limited recycling of local surface moisture under conditions where most of the rainfall derives from convective cells that originate at remote locations. There is some evidence, nevertheless, that the local land feedback becomes stronger as the soil dries out in the aftermath of precipitation events, or on days when the local boundary layer clouds are influenced by thermal updrafts associated with convection that originates at the surface. Potential implications of these results for climate-model representation of regional land-atmosphere coupling also are discussed. C1 [Phillips, Thomas J.; Klein, Stephen A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Phillips, TJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM phillips14@llnl.gov RI Klein, Stephen/H-4337-2016 OI Klein, Stephen/0000-0002-5476-858X FU U.S. Department of Energy (USDOE) Office of Science under Atmospheric System Research (ASR) Program; Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We gratefully acknowledge the USDOE ARM Program for supplying the ARMBE data sets, and our colleagues Yunyan Zhang and Shaocheng Xie for sharing additional ARM data sets and for offering comments that improved this paper. We also greatly appreciate Charles Doutriaux's expert assistance with numerous data-processing problems. This work was funded by the U.S. Department of Energy (USDOE) Office of Science under its Atmospheric System Research (ASR) Program and was performed at the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 65 TC 14 Z9 14 U1 0 U2 25 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 JAN 27 PY 2014 VL 119 IS 2 BP 509 EP 528 DI 10.1002/2013JD020492 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AK3PV UT WOS:000338338100005 ER PT J AU Liu, D Wang, GL Mei, R Yu, ZB Yu, M AF Liu, Di Wang, Guiling Mei, Rui Yu, Zhongbo Yu, Miao TI Impact of initial soil moisture anomalies on climate mean and extremes over Asia SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID ATMOSPHERE COUPLING EXPERIMENT; UNITED-STATES; PART I; AFRICAN MONSOONS; LAND; PRECIPITATION; SUMMER; CHINA; MODEL; REANALYSIS AB This paper focuses on the impact of soil moisture anomalies on subsequent precipitation and surface air temperature over Asia based on numerical experiments using a regional climate model. Soil moisture anomalies are applied on 1 March, 1 June, and 1 September for the spring, summer, and autumn experiments, respectively, and their impacts on both the climate mean and extremes are examined. Major findings are the following. (1) The land surface memory for soil moisture anomalies is longer in the midlatitudes and shorter in the Tropics, and such memory is enhanced by soil moisture-precipitation feedback. (2) The wet (dry) initial soil moisture anomalies increase (reduce) the subsequent precipitation amount and reduce (increase) surface temperature. For precipitation, the strongest impacts are found in midlatitude to high-latitude regions including northwest China, central Asia, southern Siberia; for temperature, the strongest response is found in India and Indochina regions and most of the midlatitude areas in spring, in high-latitude and midlatitude regions in summer, and in India and eastern China (lower Yellow river basin) in autumn. (3) The impact on mean climate variables can last for 2-3months over most regions of strong response, and the impact of wet initial soil moisture anomalies tends to be stronger but dissipates faster than the dry initial anomalies. (4) Both the dry and wet initial soil moisture anomalies tend to reinforce severe flood extremes, while other climate extremes respond to initial anomalies in a way similar to the mean climate: wet (dry) initial soil moisture anomalies reduce (amplify) the drought extremes, diminish (reinforce) the hot extremes, and enhance (reduce) the cold extremes over areas of strong soil moisture-atmosphere coupling. C1 [Liu, Di; Yu, Zhongbo] Hohai Univ, State Key Lab Hydrol Water Resources & Hydraul En, Nanjing, Jiangsu, Peoples R China. [Liu, Di; Wang, Guiling; Yu, Miao] Univ Connecticut, Dept Civil & Environm Engn, Storrs, CT USA. [Mei, Rui] Oak Ridge Natl Lab, Climate Change Sci Inst, Comp Sci & Math Div, Oak Ridge, TN USA. [Yu, Zhongbo] Univ Nevada, Dept Geosci, Las Vegas, NV 89154 USA. [Yu, Miao] Nanjing Univ Informat Sci & Technol, Minist Educ, Key Lab Meteorol Disaster, Nanjing, Jiangsu, Peoples R China. RP Yu, ZB (reprint author), Hohai Univ, State Key Lab Hydrol Water Resources & Hydraul En, Nanjing, Jiangsu, Peoples R China. EM zyu@hhu.edu.cn RI Mei, Rui/A-6774-2013 FU China Scholarship Council; U.S. NOAA (CPPA) [NA08OAR4310871]; National Basic Research Program of China [2010CB951101, 2013CBA01806]; program of Dual Innovative Talents Plan and Innovative Research Team in Jiangsu Province, China; Fundamental Research Funds of the Central Universities; National Natural Science Foundation of China [41101015, 41205084]; National Postdoctoral Science Foundation of China [2013M541598] FX This study is made possible by a scholarship from the China Scholarship Council that supported Di Liu's visit to the University of Connecticut. Coauthors' contribution was partially supported by the U.S. NOAA (CPPA, NA08OAR4310871), the National Basic Research Program of China (2010CB951101; 2013CBA01806), the program of Dual Innovative Talents Plan and Innovative Research Team in Jiangsu Province, China; the Fundamental Research Funds of the Central Universities, the National Natural Science Foundation of China (Grants 41101015; 41205084), and the National Postdoctoral Science Foundation of China (Grants 2013M541598). NR 68 TC 9 Z9 9 U1 7 U2 19 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 JAN 27 PY 2014 VL 119 IS 2 BP 529 EP 545 DI 10.1002/2013JD020890 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AK3PV UT WOS:000338338100006 ER PT J AU Yu, H Hallar, AG You, Y Sedlacek, A Springston, S Kanawade, VP Lee, YN Wang, J Kuang, CG McGraw, RL McCubbin, I Mikkila, J Lee, SH AF Yu, Huan Hallar, A. Gannet You, Yi Sedlacek, Arthur Springston, Stephen Kanawade, Vijay P. Lee, Yin-Nan Wang, Jian Kuang, Chongai McGraw, Robert L. McCubbin, Ian Mikkila, Jyri Lee, Shan-Hu TI Sub-3nm particles observed at the coastal and continental sites in the United States SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID ATMOSPHERIC AEROSOL NUCLEATION; SULFURIC-ACID-WATER; BOREAL FOREST; GAS-PHASE; AMBIENT MEASUREMENTS; SIZE DISTRIBUTIONS; LOWER STRATOSPHERE; MASS-SPECTROMETER; UPPER TROPOSPHERE; BOUNDARY-LAYER AB Direct measurements of atmospheric sub-3 nm particles are crucial for understanding the new particle formation mechanisms, but such measurements are very limited at present. We report measurements of sub-3nm particles at Brookhaven, New York (a coastal site in summer) and Kent, Ohio (a continental site in winter). During daytime, in approximately 80% of the observation days at both sites, sub-3nm particle events were observed with concentrations of 2800 +/- 1600 cm-(3), and they appeared with the elevated sulfuric acid concentrations. During the nighttime at the coastal site under the marine air mass influences, there were also substantial concentrations of sub-3nm particles (1500 +/- 400 cm-(3)), but they did not grow larger. On the other hand, at the coastal Brookhaven site under the continental air mass influences and at the inland Kent site during the night, the sub-3nm particles were significantly lower (190 +/- 130 cm-(3)). Our results indicate that sub-3nm particles were not always present, and their presence was rather closely associated with specific aerosol nucleation precursors: sulfuric acid and other unknown condensable chemical species likely present in the marine air masses. These findings are thus different from other studies conducted in the Finland boreal forest, which showed a persistent presence of high concentrations of sub-2nm particles and that these sub-2nm particles were more correlated to monoterpene oxidation products than to sulfuric acid. Therefore, different nucleation mechanisms, as opposed on to a universal mechanism, involving different nucleation precursors dominate in different atmospheric environments with different emissions and transported trace gases. C1 [Yu, Huan] Nanjing Univ Informat Sci & Technol, Sch Environm Sci & Engn, Jiangsu Key Lab Atmospher Environm Monitoring & P, Nanjing, Jiangsu, Peoples R China. [Yu, Huan; Kanawade, Vijay P.; Lee, Shan-Hu] Kent State Univ, Coll Publ Hlth, Kent, OH 44242 USA. [Hallar, A. Gannet; McCubbin, Ian] Desert Res Inst, Div Atmospher Sci, Storm Peak Lab, Steamboat Springs, CO USA. [You, Yi] Kent State Univ, Dept Chem, Kent, OH 44242 USA. [Sedlacek, Arthur; Springston, Stephen; Lee, Yin-Nan; Wang, Jian; Kuang, Chongai; McGraw, Robert L.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. [Kanawade, Vijay P.] Indian Inst Technol, Dept Civil Engn, Kanpur 208016, Uttar Pradesh, India. [Mikkila, Jyri] Airmodus Oy, Helsinki, Finland. RP Lee, SH (reprint author), Kent State Univ, Coll Publ Hlth, Kent, OH 44242 USA. EM slee19@kent.edu RI Wang, Jian/G-9344-2011; Hallar, Anna Gannet/I-9104-2012; OI Hallar, Anna Gannet/0000-0001-9972-0056; Kanawade, Vijay/0000-0001-5611-3029 FU DOE [199552]; NOAA [NA08OAR4310537]; NSF [ATM-0645567, AGS-1137821, AGS 1241498] FX This study was supported by DOE (sub-contract number 199552) NOAA (NA08OAR4310537), NSF (Career ATM-0645567, AGS-1137821, AGS 1241498). We thank Danielle Weech and Galina Chirokova for their help in the SMPS data collection during the 2011 Aerosol Life Cycle IOP study, Katrianne Lehtipalo and Janek Uin for useful conversations on the PSM data interpretation, and two anonymous reviewers for helpful comments that improved the manuscript. NR 83 TC 11 Z9 11 U1 2 U2 33 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 JAN 27 PY 2014 VL 119 IS 2 BP 860 EP 879 DI 10.1002/2013JD020841 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AK3PV UT WOS:000338338100014 ER PT J AU Lim, KSS Fan, JW Leung, R Ma, PL Singh, B Zhao, C Zhang, Y Zhang, G Song, XL AF Lim, Kyo-Sun Sunny Fan, Jiwen Leung, Ruby Ma, Po-Lun Singh, Balwinder Zhao, Chun Zhang, Yang Zhang, Guang Song, Xiaoliang TI Investigation of aerosol indirect effects using a cumulus microphysics parameterization in a regional climate model SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID COMMUNITY ATMOSPHERE MODEL; DEEP CONVECTIVE CLOUDS; ASIAN SUMMER MONSOON; LARGE-SCALE ENVIRONMENT; ANTHROPOGENIC AEROSOLS; PART I; OPTICAL DEPTH; AIR-QUALITY; WRF-CHEM; IMPACT AB A new Zhang and McFarlane (ZM) cumulus scheme includes a two-moment cloud microphysics parameterization for convective clouds. This allows aerosol effects to be investigated more comprehensively by linking aerosols with microphysical processes in both stratiform clouds that are explicitly resolved and convective clouds that are parameterized in climate models. This new scheme is implemented in the Weather Research and Forecasting model, coupled with the physics and aerosol packages from the Community Atmospheric Model version 5. A case of July 2008 during the East Asian summer monsoon is selected to evaluate the performance of the new ZM and to investigate aerosol effects on monsoon precipitation. The precipitation and radiative fluxes simulated by the new ZM show a better agreement with observations compared to simulations with the original ZM that does not include convective cloud microphysics and aerosol-convective cloud interactions. Detailed analysis suggests that an increase in detrained cloud water and ice mass by the new ZM is responsible for this improvement. Aerosol impacts on cloud properties, precipitation, and radiation are examined by reducing the primary aerosols and anthropogenic emissions to 30% of those in the present (polluted) condition. The simulated surface precipitation is reduced by 9.8% from clean to polluted environment, and the reduction is less significant when microphysics processes are excluded from the cumulus clouds. Cloud fraction is reduced by the increased aerosols due to suppressed convection, except during some heavy precipitation periods when cloud fraction, cloud top height, and rain rate are increased due to enhanced convection. C1 [Lim, Kyo-Sun Sunny; Fan, Jiwen; Leung, Ruby; Ma, Po-Lun; Singh, Balwinder; Zhao, Chun] Pacific NW Natl Lab, Richland, WA 99352 USA. [Zhang, Yang] N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Raleigh, NC 27695 USA. [Zhang, Guang; Song, Xiaoliang] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. RP Lim, KSS (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM kyo-sun.lim@pnnl.gov RI Lim, Kyo-Sun/I-3811-2012; Fan, Jiwen/E-9138-2011; Zhao, Chun/A-2581-2012; Ma, Po-Lun/G-7129-2015 OI Zhao, Chun/0000-0003-4693-7213; Ma, Po-Lun/0000-0003-3109-5316 FU Office of Science of the U.S. Department of Energy as part of the Regional and Global Climate Modeling program; NCSU [DE-SC0006695]; DOE by Battelle Memorial Institute [DE-AC05-76RLO 1830] FX This study was supported by the Office of Science of the U.S. Department of Energy as part of the Regional and Global Climate Modeling program through funding to PNNL and NCSU (DE-SC0006695). The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RLO 1830. The first author would like to express her gratitude to Jin-Ho Yoon for his careful comments and encouragement during the preparation of this paper. NR 89 TC 12 Z9 12 U1 2 U2 31 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 JAN 27 PY 2014 VL 119 IS 2 BP 906 EP 926 DI 10.1002/2013JD020958 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AK3PV UT WOS:000338338100016 ER PT J AU Moore, JC Rinke, A Yu, XY Ji, DY Cui, XF Li, Y Alterskjaer, K Kristjansson, JE Muri, H Boucher, O Huneeus, N Kravitz, B Robock, A Niemeier, U Schulz, M Tilmes, S Watanabe, S Yang, ST AF Moore, John C. Rinke, Annette Yu, Xiaoyong Ji, Duoying Cui, Xuefeng Li, Yan Alterskjaer, Kari Kristjansson, Jon Egill Muri, Helene Boucher, Olivier Huneeus, Nicolas Kravitz, Ben Robock, Alan Niemeier, Ulrike Schulz, Michael Tilmes, Simone Watanabe, Shingo Yang, Shuting TI Arctic sea ice and atmospheric circulation under the GeoMIP G1 scenario SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE geoengeneering; Arctic sea ice; Arctic atmosphere ID FUTURE CLIMATE PROJECTIONS; NORTHERN-HEMISPHERE; TELECONNECTION PATTERN; GEOPOTENTIAL HEIGHT; BARENTS SEA; IMPACT; WINTER; VARIABILITY; TRACK; MODES AB We analyze simulated sea ice changes in eight different Earth System Models that have conducted experiment G1 of the Geoengineering Model Intercomparison Project (GeoMIP). The simulated response of balancing abrupt quadrupling of CO2 (abrupt4xCO2) with reduced shortwave radiation successfully moderates annually averaged Arctic temperature rise to about 1 degrees C, with modest changes in seasonal sea ice cycle compared with the preindustrial control simulations (piControl). Changes in summer and autumn sea ice extent are spatially correlated with temperature patterns but much less in winter and spring seasons. However, there are changes of 20% in sea ice concentration in all seasons, and these will induce changes in atmospheric circulation patterns. In summer and autumn, the models consistently simulate less sea ice relative to preindustrial simulations in the Beaufort, Chukchi, East Siberian, and Laptev Seas, and some models show increased sea ice in the Barents/Kara Seas region. Sea ice extent increases in the Greenland Sea, particularly in winter and spring and is to some extent associated with changed sea ice drift. Decreased sea ice cover in winter and spring in the Barents Sea is associated with increased cyclonic activity entering this area under G1. In comparison, the abrupt4xCO2 experiment shows almost total sea ice loss in September and strong correlation with regional temperatures in all seasons consistent with open ocean conditions. The tropospheric circulation displays a Pacific North America pattern-like anomaly with negative phase in G1-piControl and positive phase under abrupt4xCO2-piControl. Key Points Analysis of eight ESM focused on Arctic sea ice and feedback Response of Arctic to G1 geoengineering shows clear regional differences Sea ice is far different in detail under G1 than in pre industrial C1 [Moore, John C.; Rinke, Annette; Yu, Xiaoyong; Ji, Duoying; Cui, Xuefeng] Beijing Normal Univ, State Key Lab Earth Surface Proc & Resource Ecol, Coll Global Change & Earth Syst Sci, Beijing 100875, Peoples R China. [Rinke, Annette] Alfred Wegener Inst Helmholtz Ctr Polar & Marine, Potsdam, Germany. [Li, Yan] Lanzhou Univ, Coll Atmospher Sci, Lanzhou 730000, Peoples R China. [Alterskjaer, Kari; Kristjansson, Jon Egill; Muri, Helene] Univ Oslo, Dept Geosci, Oslo, Norway. [Boucher, Olivier; Huneeus, Nicolas] UPMC, CNRS, IPSL, Lab Meteorol Dynam, Paris, France. [Kravitz, Ben] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Robock, Alan] Rutgers State Univ, Dept Environm Sci, New Brunswick, NJ 08903 USA. [Niemeier, Ulrike] Max Planck Inst Meteorol, D-20146 Hamburg, Germany. [Schulz, Michael] Norwegian Meteorol Inst, Oslo, Norway. [Tilmes, Simone] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Watanabe, Shingo] Japan Agcy Marine Earth Sci & Technol, Yokohama, Kanagawa, Japan. [Yang, Shuting] Danish Meteorol Inst, Danish Climate Ctr, Copenhagen, Denmark. RP Cui, XF (reprint author), Beijing Normal Univ, State Key Lab Earth Surface Proc & Resource Ecol, Coll Global Change & Earth Syst Sci, Beijing 100875, Peoples R China. EM xuefeng.cui@bnu.edu.cn RI Moore, John/B-2868-2013; Kravitz, Ben/P-7925-2014; Muri, Helene/D-4845-2015; Schulz, Michael/A-6930-2011; Rinke, Annette/B-4922-2014; Robock, Alan/B-6385-2016; Huneeus, Nicolas/J-4994-2016; Watanabe, Shingo/L-9689-2014; OI Moore, John/0000-0001-8271-5787; Kravitz, Ben/0000-0001-6318-1150; Muri, Helene/0000-0003-4738-493X; Schulz, Michael/0000-0003-4493-4158; Rinke, Annette/0000-0002-6685-9219; Watanabe, Shingo/0000-0002-2228-0088; Huneeus, Nicolas/0000-0002-6214-5518 FU NASA High-End Computing (HEC) Program through the NASA Center for Climate Simulation (NCCS) at Goddard Space Flight Center; European Union [226567, 306395]; Norwegian Research Council's Programme for Supercomputing (NOTUR); SOUSEI program, MEXT, Japan; NSF [AGS-1157525, CBET-1240507] FX We thank all participants of the Geoengineering Model Intercomparison Project and their model development teams, the CLIVAR/WCRP Working Group on Coupled Modeling for endorsing GeoMIP, the scientists managing the Earth System Grid data nodes who have assisted with making GeoMIP output available. We acknowledge the World Climate Research Programme's Working Group on Coupled Modelling, which is responsible for CMIP, and we thank the climate modeling groups (listed in Table S1) for producing and making available their model output. For CMIP, the U. S. Department of Energy's Program for Climate Model Diagnosis and Intercomparison provides coordinating support and led development of software infrastructure in partnership with the Global Organization for Earth System Science Portals. D.J., X.Y., X. C., and J.C.M. thank all members of the BNU-ESM model group and support from the Joint Center for Global Change Studies (JCGCS), as well as the Center of Information and Network Technology at Beijing Normal University for assistance in publishing the GeoMIP data set. B. K. is supported by the Fund for Innovative Climate and Energy Research. Simulations performed by B. K. were supported by the NASA High-End Computing (HEC) Program through the NASA Center for Climate Simulation (NCCS) at Goddard Space Flight Center. K. A., J.E.K., U.N.,H. S., O.B., and M. S. received funding from the European Union's Seventh Framework Programme (FP7/2007-2013) under the IMPLICC project (grant 226567) and the EuTRACE project (grant 306395). K. A. and J.E.K. received support from the Norwegian Research Council's Programme for Supercomputing (NOTUR) through a grant of computing time. Simulations with the IPSL-CM5 model were supported through HPC resources of [CCT/TGCC/CINES/IDRIS] under the allocation 2012-t2012012201 made by GENCI (Grand Equipement National de Calcul Intensif). The National Center for Atmospheric Research is funded by the National Science Foundation (NSF). S. W. was supported by the SOUSEI program, MEXT, Japan, and his simulations were performed using the Earth Simulator. Alan Robock is supported by NSF grants AGS-1157525 and CBET-1240507. NR 49 TC 11 Z9 12 U1 2 U2 25 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 JAN 27 PY 2014 VL 119 IS 2 BP 567 EP 583 DI 10.1002/2013JD021060 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AD1LK UT WOS:000332995300006 ER PT J AU Fotiades, N Cizewski, JA Krucken, R Clark, RM Fallon, P Lee, IY Macchiavelli, AO Younes, W AF Fotiades, N. Cizewski, J. A. Kruecken, R. Clark, R. M. Fallon, P. Lee, I. Y. Macchiavelli, A. O. Younes, W. TI High-spin states in Te-124 SO PHYSICAL REVIEW C LA English DT Article ID NUCLEAR-DATA SHEETS; NONCOLLECTIVE OBLATE STATES; COEXISTENCE AB In even-mass Te isotopes with 114 <= A <= 122 the experimentally observed yrast I-pi = 16(+) states have been interpreted as favored noncollective oblate states based on the fully aligned pi[(g(7/2))(2)](6+) circle times v[(h(11/2))(2)](10+) configuration. For Te-124 the highest-spin positive-parity state known has I-pi = 10(+). An extension of the yrast cascade of Te-124 is needed to spin at least 16(+) in order to answer the question of whether this noncollective oblate state lies along the yrast line in this isotope. The level structure of 124Te has been studied via prompt gamma-ray spectroscopy. Te-124 was produced in the fission of the compound systems formed in two heavy-ion-induced reactions, Mg-24 (134.5 MeV) + Yb-173 and Na-23 (129 MeV) + Yb-176. gamma-ray spectroscopy was accomplished with the Gammasphere array. The yrast cascade of Te-124 was extended up to 5481-keV excitation energy with a tentative 16(+) assignment for the highest observed state. This state does not exhibit the characteristics of the favored noncollective oblate states with I-pi = 16(+) observed in the lighter doubly even Te isotopes, indicating that such a state is probably no longer yrast in Te-124. C1 [Fotiades, N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Cizewski, J. A.] Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08903 USA. [Kruecken, R.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Clark, R. M.; Fallon, P.; Lee, I. Y.; Macchiavelli, A. O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Younes, W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Fotiades, N (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM fotia@lanl.gov RI Kruecken, Reiner/A-1640-2013; OI Kruecken, Reiner/0000-0002-2755-8042; Fotiadis, Nikolaos/0000-0003-1410-3871 FU US Department of Energy [DE-AC52-06NA25396, DE-AC52-07NA27344, AC03-76SF00098]; National Science Foundation (Rutgers) FX This work has been supported in part by the US Department of Energy under Contracts No. DE-AC52-06NA25396 (LANL), No. DE-AC52-07NA27344 (LLNL), and No. AC03-76SF00098 (LBNL), and by the National Science Foundation (Rutgers). NR 25 TC 0 Z9 0 U1 2 U2 4 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 JAN 27 PY 2014 VL 89 IS 1 AR 017303 DI 10.1103/PhysRevC.89.017303 PG 4 WC Physics, Nuclear SC Physics GA AC0AU UT WOS:000332157900009 ER PT J AU Hagen, G Papenbrock, T Ekstrom, A Wendt, KA Baardsen, G Gandolfi, S Hjorth-Jensen, M Horowitz, CJ AF Hagen, G. Papenbrock, T. Ekstroem, A. Wendt, K. A. Baardsen, G. Gandolfi, S. Hjorth-Jensen, M. Horowitz, C. J. TI Coupled-cluster calculations of nucleonic matter SO PHYSICAL REVIEW C LA English DT Article ID EQUATION-OF-STATE; EFFECTIVE-FIELD THEORY; NUCLEAR-MATTER; TRIPLE EXCITATIONS; FORCES; EXPANSION; MASSES AB Background: The equation of state (EoS) of nucleonic matter is central for the understanding of bulk nuclear properties, the physics of neutron star crusts, and the energy release in supernova explosions. Because nuclear matter exhibits a finely tuned saturation point, its EoS also constrains nuclear interactions. Purpose: This work presents coupled-cluster calculations of infinite nucleonic matter using modern interactions from chiral effective field theory (EFT). It assesses the role of correlations beyond particle-particle and hole-hole ladders, and the role of three-nucleon forces (3NFs) in nuclear matter calculations with chiral interactions. Methods: This work employs the optimized nucleon-nucleon (NN) potential NNLOopt at next-to-next-to leading order, and presents coupled-cluster computations of the EoS for symmetric nuclear matter and neutron matter. The coupled-cluster method employs up to selected triples clusters and the single-particle space consists of a momentum-space lattice. We compare our results with benchmark calculations and control finite-size effects and shell oscillations via twist-averaged boundary conditions. Results: We provide several benchmarks to validate the formalism and show that our results exhibit a good convergence toward the thermodynamic limit. Our calculations agree well with recent coupled-cluster results based on a partial wave expansion and particle-particle and hole-hole ladders. For neutron matter at low densities, and for simple potential models, our calculations agree with results from quantum Monte Carlo computations. While neutron matter with interactions from chiral EFT is perturbative, symmetric nuclear matter requires nonperturbative approaches. Correlations beyond the standard particle-particle ladder approximation yield non-negligible contributions. The saturation point of symmetric nuclear matter is sensitive to the employed 3NFs and the employed regularization scheme. 3NFs with nonlocal cutoffs exhibit a considerably improved convergence than their local cousins. We are unable to find values for the parameters of the short-range part of the local 3NF that simultaneously yield acceptable values for the saturation point in symmetric nuclear matter and the binding energies of light nuclei. Conclusions: Coupled-cluster calculations with nuclear interactions from chiral EFT yield nonperturbative results for the EoS of nucleonic matter. Finite-size effects and effects of truncations can be controlled. For the optimization of chiral forces, it might be useful to include the saturation point of symmetric nuclear matter. C1 [Hagen, G.; Papenbrock, T.; Wendt, K. A.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Hagen, G.; Papenbrock, T.; Wendt, K. A.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Ekstroem, A.; Baardsen, G.; Hjorth-Jensen, M.] Univ Oslo, Dept Phys, N-0316 Oslo, Norway. [Ekstroem, A.; Baardsen, G.; Hjorth-Jensen, M.] Univ Oslo, Ctr Math Applicat, N-0316 Oslo, Norway. [Ekstroem, A.; Hjorth-Jensen, M.] Michigan State Univ, Natl Supercond Cyclotron Lab, E Lansing, MI 48824 USA. [Gandolfi, S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Hjorth-Jensen, M.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Horowitz, C. J.] Indiana Univ, Bloomington, IN 47405 USA. RP Hagen, G (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RI Ekstrom, Andreas/D-3782-2014; OI Gandolfi, Stefano/0000-0002-0430-9035; Papenbrock, Thomas/0000-0001-8733-2849 FU Office of Nuclear Physics, U.S. Department of Energy [DE-FG02-96ER40963, FG02-87ER40365, DE-SC0008499, DE-SC0008808]; Oak Ridge National Laboratory; Los Alamos National Laboratory; Research Council of Norway [ISP-Fysikk/216699]; Office of Science of the Department of Energy [DE-AC05-00OR22725]; National Institute for Computational Sciences; Notur project in Norway; Office of Science of the U. S. Department of Energy [DE-AC02-05CH11231] FX We thank S. K. Bogner, E. Epelbaum, R. J. Furnstahl, A. Mukherjee, and F. Pederiva for discussions. This work was supported by the Office of Nuclear Physics, U.S. Department of Energy (Oak Ridge National Laboratory), under DE-FG02-96ER40963 (University of Tennessee), DE-FG02-87ER40365 (Indiana University), DE-SC0008499 and DE-SC0008808 (NUCLEI SciDAC collaboration), the Field Work Proposal ERKBP57 at Oak Ridge National Laboratory, the LDRD program at Los Alamos National Laboratory, and the Research Council of Norway under Contract No. ISP-Fysikk/216699. Computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. This research used resources of the Oak Ridge Leadership Computing Facility located in the Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under Contract No. DE-AC05-00OR22725, and used computational resources of the National Center for Computational Sciences, the National Institute for Computational Sciences, and the Notur project in Norway. Computing time has also been provided by Los Alamos Open Supercomputing. This research also 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 85 TC 49 Z9 49 U1 1 U2 12 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 JAN 27 PY 2014 VL 89 IS 1 AR 014319 DI 10.1103/PhysRevC.89.014319 PG 13 WC Physics, Nuclear SC Physics GA AC0AU UT WOS:000332157900003 ER PT J AU Ticknor, C Herring, SD Lambert, F Collins, LA Kress, JD AF Ticknor, C. Herring, S. D. Lambert, F. Collins, L. A. Kress, J. D. TI First principles nonequilibrium plasma mixing SO PHYSICAL REVIEW E LA English DT Article ID EQUATION-OF-STATE; MOLECULAR-DYNAMICS; INTERFACES; ENERGY AB We have performed nonequilibrium classical and quantum-mechanical molecular dynamics simulations that follow the interpenetration of deuterium-tritium (DT) and carbon (C) components through an interface initially in hydrostatic and thermal equilibrium. We concentrate on the warm, dense matter regime with initial densities of 2.5-5.5 g/cm(3) and temperatures from 10 to 100 eV. The classical treatment employs a Yukawa pair-potential with the parameters adjusted to the plasma conditions, and the quantum treatment rests on an orbital-free density functional theory at the Thomas-Fermi-Dirac level. For times greater than about a picosecond, the component concentrations evolve in accordance with Fick's law for a classically diffusing fluid with the motion, though, described by the mutual diffusion coefficient of the mixed system rather than the self-diffusion of the individual components. For shorter times, microscopic processes control the clearly non-Fickian dynamics and require a detailed representation of the electron probability density in space and time. C1 [Ticknor, C.; Herring, S. D.; Collins, L. A.; Kress, J. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Lambert, F.] CEA, DAM, DIF, F-91297 Arpajon, France. RP Ticknor, C (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Ticknor, Christopher/B-8651-2014; OI Ticknor, Christopher/0000-0001-9972-4524 FU U.S. DOE [DE-AC52-06NA25396]; CEA/DAM; NNSA/DP FX The authors gratefully acknowledge support from the Advanced Simulation and Computing Program (ASC), science campaigns 1 and 4, computing resources under ASC's CCC, and LANL, which is operated by LANS, LLC for the NNSA of the U.S. DOE under Contract No. DE-AC52-06NA25396. This work was performed under the auspices of an agreement between CEA/DAM and NNSA/DP on cooperation on fundamental science. NR 27 TC 6 Z9 6 U1 2 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0045 EI 2470-0053 J9 PHYS REV E JI Phys. Rev. E PD JAN 27 PY 2014 VL 89 IS 1 AR 013108 DI 10.1103/PhysRevE.89.013108 PG 5 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA AC0EO UT WOS:000332167800005 PM 24580347 ER PT J AU Menezes, MG Capaz, RB Louie, SG AF Menezes, Marcos G. Capaz, Rodrigo B. Louie, Steven G. TI Ab initio quasiparticle band structure of ABA and ABC-stacked graphene trilayers SO PHYSICAL REVIEW B LA English DT Article ID BILAYER GRAPHENE AB We obtain the quasiparticle band structure of ABA and ABC-stacked graphene trilayers through ab initio density-functional theory (DFT) and many-body quasiparticle calculations within the GW approximation. To interpret our results, we fit the DFT and GW pi bands to a low-energy tight-binding model, which is found to reproduce very well the observed features near the K point. The values of the extracted hopping parameters are reported and compared with available theoretical and experimental data. For both stackings, the self-energy corrections lead to a renormalization of the Fermi velocity, an effect also observed in previous calculations on monolayer graphene. They also increase the separation between the higher-energy bands, which is proportional to the nearest-neighbor interlayer hopping parameter gamma(1). Both features are brought to closer agreement with experiment through the self-energy corrections. Finally, other effects, such as trigonal warping, electron-hole asymmetry, and energy gaps, are discussed in terms of the associated parameters. C1 [Menezes, Marcos G.; Capaz, Rodrigo B.] Univ Fed Rio de Janeiro, Inst Fis, BR-21941972 Rio De Janeiro, Brazil. [Louie, Steven G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Louie, Steven G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Menezes, MG (reprint author), Univ Fed Rio de Janeiro, Inst Fis, Caixa Postal 68528, BR-21941972 Rio De Janeiro, Brazil. EM marcosgm@if.ufrj.br RI B, Rodrigo/N-7595-2014 FU CAPES; CNPq; FAPERJ; INCT-Nanomateriais de Carbono; Simons Foundation Fellowship in Theoretical Physics; National Science Foundation [DMR10-1006184]; Office of Science, Office Basic Energy Sciences, Materials Sciences and Engineering Division, US Department of Energy [DE-AC02-05CH11231] FX We thank Felipe Jornada for valuable discussions. This work was supported by the Brazilian funding agencies CAPES, CNPq, FAPERJ, and INCT-Nanomateriais de Carbono. Steven G. Louie acknowledges support from a Simons Foundation Fellowship in Theoretical Physics; from National Science Foundation Grant No. DMR10-1006184 (DFT and tight-binding analysis); and from the Director, Office of Science, Office Basic Energy Sciences, Materials Sciences and Engineering Division, US Department of Energy under Contract No. DE-AC02-05CH11231 (GW simulations). We also thank NERSC for the computational resources employed in our calculations. NR 35 TC 9 Z9 9 U1 2 U2 40 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 JAN 27 PY 2014 VL 89 IS 3 AR 035431 DI 10.1103/PhysRevB.89.035431 PG 5 WC Physics, Condensed Matter SC Physics GA AC1UV UT WOS:000332283200003 ER PT J AU Chen, CY Dawson, S Zhang, C AF Chen, Chien-Yi Dawson, S. Zhang, Cen TI Electroweak effective operators and Higgs physics SO PHYSICAL REVIEW D LA English DT Article ID EFFECTIVE-FIELD THEORY; GAUGE-BOSON COUPLINGS; STANDARD MODEL; ONE-LOOP; SECTOR; LHC AB We derive bounds from oblique parameters on the dimension-6 operators of an effective field theory of electroweak gauge bosons and the Higgs doublet. The loop-induced contributions to the Delta S, Delta T, and Delta U oblique parameters are sensitive to these contributions, and we pay particular attention to the role of renormalization when computing loop corrections in the effective theory. Limits on the coefficients of the effective theory from loop contributions to oblique parameters yield complementary information to direct Higgs production measurements. C1 [Chen, Chien-Yi; Dawson, S.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Zhang, Cen] Catholic Univ Louvain, Ctr Cosmol Particle Phys & Phenomenol CP3, B-1348 Louvain, Belgium. RP Chen, CY (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. OI Dawson, Sally/0000-0002-5598-695X FU U.S. Department of Energy [DE-AC02-98CH10886]; IISN Fundamental Interactions convention [4.4517.08] FX The work of C.-Y. Chen and S. Dawson was supported by the U.S. Department of Energy under Grant No. DE-AC02-98CH10886. C. Zhang was supported by IISN Fundamental Interactions convention 4.4517.08. We thank S. Willenbrock for helpful comments on the manuscript and M. C. Gonzalez-Garcia for pointing out the need to include OPhi,2 in our analysis. C. Zhang thanks H. Mebane, N. Greiner, and S. Willenbrock for their previous collaboration. NR 38 TC 29 Z9 29 U1 1 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 JAN 27 PY 2014 VL 89 IS 1 AR 015016 DI 10.1103/PhysRevD.89.015016 PG 18 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AB6AO UT WOS:000331870000007 ER PT J AU Coleman-Smith, CE Muller, B AF Coleman-Smith, Christopher E. Mueller, Berndt TI Mapping the proton's fluctuating size and shape SO PHYSICAL REVIEW D LA English DT Article ID ANTIQUARK DISTRIBUTIONS; PPB COLLISIONS; SCATTERING; NUCLEON; ASYMMETRY; LHC AB We discuss a mechanism for the apparently universal scaling in the high-multiplicity tail of charged particle distributions for high-energy nuclear collisions. We argue that this scaling behavior originates from rare fluctuations of the nucleon density. We discuss a pair of simple models of proton shape fluctuations. A "fat" proton with a size of 3 fm occurs with observable frequency. In light of this result, collective flow behavior in the ensuing nuclear interaction seems feasible. We discuss the influence of these models on the large-x structure of the proton and the likely influences on the distribution of initial-state spatial eccentricities epsilon(n). C1 [Coleman-Smith, Christopher E.; Mueller, Berndt] Duke Univ, Dept Phys, Durham, NC 27708 USA. [Mueller, Berndt] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Coleman-Smith, CE (reprint author), Duke Univ, Dept Phys, Durham, NC 27708 USA. EM cec24@phy.duke.edu; muller@phy.duke.edu FU DOE [DE-FG02-05ER41367] FX We acknowledge support by DOE Grant DE-FG02-05ER41367. C. C.-S. would like to thank D. Velicanu and I. C. Kozyrkov for many helpful discussions. NR 30 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 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD JAN 27 PY 2014 VL 89 IS 2 AR 025019 DI 10.1103/PhysRevD.89.025019 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AB6AS UT WOS:000331870400011 ER PT J AU Kumar, RS Zhang, Y Thamizhavel, A Svane, A Vaitheeswaran, G Kanchana, V Xiao, YM Chow, P Chen, CF Zhao, YS AF Kumar, Ravhi S. Zhang, Yi Thamizhavel, Arumugam Svane, A. Vaitheeswaran, G. Kanchana, V. Xiao, Yuming Chow, Paul Chen, Changfeng Zhao, Yusheng TI Pressure induced valence change of Eu in EuFe2As2 at low temperature and high pressures probed by resonant inelastic x-ray scattering SO APPLIED PHYSICS LETTERS LA English DT Article ID SPIN-DENSITY APPROXIMATION; ELECTRONIC-STRUCTURE; SUPERCONDUCTIVITY; SYSTEMS AB The effect of pressure on the valence state of Eu in EuFe2As2 has been investigated at high pressures up to 43 GPa at 10K using resonant inelastic x-ray scattering and x-ray absorption spectroscopy using partial fluorescence yield. Two distinct density functional approaches have been used to complement the experiments. Our experimental results show that the Eu valence increases from a divalent state to a nearly trivalent state under application of pressure in consistence with theoretical simulations. Furthermore, our calculations show that the Eu magnetic moments prevail at high pressure up to 45 GPa. (C) 2014 AIP Publishing LLC. C1 [Kumar, Ravhi S.; Zhang, Yi; Chen, Changfeng; Zhao, Yusheng] Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. [Kumar, Ravhi S.; Zhang, Yi; Chen, Changfeng; Zhao, Yusheng] Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA. [Thamizhavel, Arumugam] Tata Inst Fundamental Res, Dept Condensed Matter Phys & Mat Sci, Bombay 400005, Maharashtra, India. [Svane, A.] Aarhus Univ, Dept Phys & Astron, DK-8000 Aarhus C, Denmark. [Vaitheeswaran, G.] Univ Hyderabad, ACRHEM, Hyderabad 500046, Andhra Pradesh, India. [Kanchana, V.] Indian Inst Technol Hyderabad, Dept Phys, Yeddumailaram 502205, Andhra Pradesh, India. [Xiao, Yuming; Chow, Paul] Argonne Natl Lab, Adv Photon Source, Carnegie Inst Washington, HPCAT,Geophys Lab, Argonne, IL 60439 USA. RP Kumar, RS (reprint author), Univ Nevada, Dept Phys, 4505 Maryland Pkwy, Las Vegas, NV 89154 USA. EM ravhi@physics.unlv.edu RI Thamizhavel, Arumugam/A-1801-2011 OI Thamizhavel, Arumugam/0000-0003-1679-4370 FU CIW; CDAC; UNLV; LLNL through DOE-NNSA; LLNL through DOE-BES; LLNL through NSF; U.S. Department of Energy, National Nuclear Security Administration [DE-NA0001982]; DOE-BES [DE-AC02-06CH11357] FX Portions of this work were performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT is supported by CIW, CDAC, UNLV, and LLNL through funding from DOE-NNSA, DOE-BES, and NSF. APS is supported by DOE-BES, under Contract No. DE-AC02-06CH11357. The UNLV High Pressure Science and Engineering Center was supported by the U.S. Department of Energy, National Nuclear Security Administration, under Co-operative Agreement No. DE-NA0001982. RSK would like to acknowledge GSECARS/COMPRESS for the use of gas loading system and Sergey Tkachev for technical help. RSK also would like to thank Curtis Benson HPCAT for help setting up the cryostat. NR 24 TC 5 Z9 5 U1 5 U2 23 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JAN 27 PY 2014 VL 104 IS 4 AR 042601 DI 10.1063/1.4863203 PG 4 WC Physics, Applied SC Physics GA AA6LN UT WOS:000331209900052 ER PT J AU Wright, JB Campione, S Liu, S Martinez, JA Xu, HW Luk, TS Li, QM Wang, GT Swartzentruber, BS Lester, LF Brener, I AF Wright, Jeremy B. Campione, Salvatore Liu, Sheng Martinez, Julio A. Xu, Huiwen Luk, Ting S. Li, Qiming Wang, George T. Swartzentruber, Brian S. Lester, Luke F. Brener, Igal TI Distributed feedback gallium nitride nanowire lasers SO APPLIED PHYSICS LETTERS LA English DT Article ID PHOTONIC CRYSTAL AB Achieving single-mode laser operation in nanowire lasers remains a challenge due to a lack of mode selection approaches. We have implemented single-mode lasing using distributed feedback by externally coupling gallium nitride nanowires to a dielectric grating to achieve mode-control. The effective periodicity of the grating experienced by the nanowire was altered using nanomanipulation to change the angular alignment between the nanowire and the grating. The effective periodicity controls the spectral location of the distributed feedback stop-band. Single-mode emission was achieved at an alignment, where the designed periodicity of the grating was experienced by the nanowire. (C) 2014 AIP Publishing LLC. C1 [Wright, Jeremy B.; Liu, Sheng; Luk, Ting S.; Li, Qiming; Wang, George T.; Swartzentruber, Brian S.; Brener, Igal] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Wright, Jeremy B.; Xu, Huiwen; Lester, Luke F.] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87106 USA. [Campione, Salvatore] Univ Calif Irvine, Dept Elect Engn & Comp Sci, Irvine, CA 92697 USA. [Martinez, Julio A.; Luk, Ting S.; Swartzentruber, Brian S.; Brener, Igal] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87123 USA. [Martinez, Julio A.] New Mexico State Univ, Dept Chem Engn, Las Cruces, NM 88003 USA. RP Wright, JB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Wright, Jeremy/G-7149-2011; Campione, Salvatore/A-2349-2015 OI Wright, Jeremy/0000-0001-6861-930X; Campione, Salvatore/0000-0003-4655-5485 FU Sandia's Solid-State-Lighting Science Energy Frontier Research Center; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by Sandia's Solid-State-Lighting Science Energy Frontier Research Center, funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U. S. Department of Energy (DOE) Office of Science. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 29 TC 11 Z9 11 U1 4 U2 35 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JAN 27 PY 2014 VL 104 IS 4 AR 041107 DI 10.1063/1.4862193 PG 4 WC Physics, Applied SC Physics GA AA6LN UT WOS:000331209900007 ER PT J AU Babauta, JT Atci, E Ha, PT Lindemann, SR Ewing, T Call, DR Fredrickson, JK Beyenal, H AF Babauta, Jerome T. Atci, Erhan Ha, Phuc T. Lindemann, Stephen R. Ewing, Timothy Call, Douglas R. Fredrickson, James K. Beyenal, Haluk TI Localized electron transfer rates and microelectrode-based enrichment of microbial communities within a phototrophic microbial mat SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE electron transfer; hot lake; microbial mats; microelectrodes; sulfur cycle; sequence analysis ID GEOBACTER-SULFURREDUCENS BIOFILMS; 16S RIBOSOMAL-RNA; FUEL-CELLS; ELECTRICITY-GENERATION; SULFUR BACTERIA; SP-NOV.; TRANSPORT; OXYGEN; LIGHT; PERFORMANCE AB Phototrophic microbial mats frequently exhibit sharp, light-dependent redox gradients that regulate microbial respiration on specific electron acceptors as a function of depth. In this work, a benthic phototrophic microbial mat from Hot Lake, a hypersaline, epsomitic lake located near Oroville in north-central Washington, was used to develop a microscale electrochemical method to study local electron transfer processes within the mat. To characterize the physicochemical variables influencing electron transfer, we initially quantified redox potential, pH, and dissolved oxygen gradients by depth in the mat under photic and aphotic conditions. We further demonstrated that power output of a mat fuel cell was light-dependent. To study local electron transfer processes, we deployed a microscale electrode (microelectrode) with tip size similar to 20 mu m. To enrich a subset of microorganisms capable of interacting with the microelectrode, we anodically polarized the microelectrode at depth in the mat. Subsequently, to characterize the microelectrode-associated community and compare it to the neighboring mat community, we performed amplicon sequencing of the V1-V3 region of the 16S gene. Differences in Bray-Curtis beta diversity, illustrated by large changes in relative abundance at the phylum level, suggested successful enrichment of specific mat community members on the microelectrode surface. The microelectrode-associated community exhibited substantially reduced alpha diversity and elevated relative abundances of Prosthecochloris, Loktanella, Catellibacterium, other unclassified members of Rhodobacteraceae,Thiomicrospira, and Limnobacter, compared with the community at an equivalent depth in the mat. Our results suggest that local electron transfer to an anodically polarized microelectrode selected for a specific microbial population, with substantially more abundance and diversity of sulfur-oxidizing phylotypes compared with the neighboring mat community. C1 [Babauta, Jerome T.; Atci, Erhan; Ha, Phuc T.; Ewing, Timothy; Beyenal, Haluk] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. [Lindemann, Stephen R.; Fredrickson, James K.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Call, Douglas R.] Washington State Univ, Coll Vet Med, Paul G Allen Sch Global Anim Hlth, Pullman, WA 99164 USA. RP Beyenal, H (reprint author), Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, POB 642710, Pullman, WA 99164 USA. EM beyenal@wsu.edu RI Lindemann, Steve/H-6088-2016 OI Lindemann, Steve/0000-0002-3788-5389 FU Genomic Science Program (GSP), Office of Biological and Environmental Research (OBER), U.S. Department of Energy (DOE) FX This research was supported by the Genomic Science Program (GSP), Office of Biological and Environmental Research (OBER), U.S. Department of Energy (DOE), and is a contribution of the Pacific Northwest National Laboratory (PNNL) Foundational Scientific Focus Area. The authors would like to thank Mark R. Wildung and Derek Pouchnik for their assistance with community analysis which is done at Washington State University (WSU) sequencing center. The authors would further like to acknowledge the U.S. Bureau of Land Management., Wenatchee Field Office, for their assistance in authorizing this research and providing access to the Hot Lake Research Natural Area. NR 52 TC 9 Z9 9 U1 2 U2 31 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD JAN 27 PY 2014 VL 5 AR 11 DI 10.3389/fmicb.2014.00011 PG 12 WC Microbiology SC Microbiology GA AB3MP UT WOS:000331695200001 PM 24478768 ER PT J AU Abazov, VM Abbott, B Acharya, BS Adams, M Adams, T Agnew, JP 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 Bu, XB Buehler, M Buescher, V Bunichev, V Burdin, S Buszello, CP Camacho-Perez, E Casey, BCK Castilla-Valdez, H Caughron, S Chakrabarti, S 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 Duperrin, A Dutt, S Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Evans, H Evdokimov, VN Feng, L Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Fuess, S Garcia-Bellido, A Garcia-Gonzalez, JA 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 Gruenewald, 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 Holzbauer, JL 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 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 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 Madar, R Magana-Villalba, R Malik, S Malyshev, VL Mansour, J 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 Narain, M Nayyar, R Neal, HA Negret, JP Neustroev, P Nguyen, HT Nunnemann, T Orduna, J Osman, N Osta, J 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 Podstavkov, VM Popov, AV Prewitt, M Price, D Prokopenko, N Qian, J Quadt, A Quinn, B Ratoff, PN Razumov, I Ripp-Baudot, I Rizatdinova, F Rominsky, M Ross, A Royon, C Rubinov, P Ruchti, R Sajot, G 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 Simak, V Skubic, P Slattery, P Smirnov, D 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 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 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. M. Abbott, B. Acharya, B. S. Adams, M. Adams, T. Agnew, J. P. Alexeev, G. D. Alkhazov, G. Alton, A. Askew, A. Atkins, S. Augsten, K. Avila, C. Badaud, F. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, S. Barberis, E. Baringer, P. Bartlett, J. F. Bassler, U. Bazterra, V. Bean, A. Begalli, M. Bellantoni, L. Beri, S. B. Bernardi, G. Bernhard, R. Bertram, I. Besancon, M. Beuselinck, R. Bhat, P. C. Bhatia, S. Bhatnagar, V. Blazey, G. Blessing, S. Bloom, K. Boehnlein, A. Boline, D. Boos, E. E. Borissov, G. Brandt, A. Brandt, O. Brock, R. Bross, A. Brown, D. Bu, X. B. Buehler, M. Buescher, V. Bunichev, V. Burdin, S. Buszello, C. P. Camacho-Perez, E. Casey, B. C. K. Castilla-Valdez, H. Caughron, S. Chakrabarti, S. Chan, K. M. Chandra, A. Chapon, E. Chen, G. Cho, S. W. Choi, S. Choudhary, B. Cihangir, S. Claes, D. Clutter, J. Cooke, M. Cooper, W. E. Corcoran, M. Couderc, F. Cousinou, M. -C. Cutts, D. Das, A. Davies, G. de Jong, S. J. De La Cruz-Burelo, E. Deliot, F. Demina, R. 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. Duperrin, A. Dutt, S. Eads, M. Edmunds, D. Ellison, J. Elvira, V. D. Enari, Y. Evans, H. Evdokimov, V. N. 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. 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. Holzbauer, J. L. 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. 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. 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. Madar, R. Magana-Villalba, R. Malik, S. Malyshev, V. L. Mansour, J. 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. Narain, M. Nayyar, R. Neal, H. A. Negret, J. P. Neustroev, P. Nguyen, H. T. Nunnemann, T. Orduna, J. Osman, N. Osta, J. 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. Podstavkov, V. M. Popov, A. V. Prewitt, M. Price, D. Prokopenko, N. Qian, J. Quadt, A. Quinn, B. Ratoff, P. N. Razumov, I. Ripp-Baudot, I. Rizatdinova, F. Rominsky, M. Ross, A. Royon, C. Rubinov, P. Ruchti, R. Sajot, G. 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. Simak, V. Skubic, P. Slattery, P. Smirnov, D. Snow, G. R. Snow, J. Snyder, S. Soldner-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. 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. 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 Associated Production of Z Bosons with Charm Quark Jets in p(p)over-bar Collisions at root s = 1.96 TeV SO PHYSICAL REVIEW LETTERS LA English DT Article AB We present the first measurements of the ratios of cross sections sigma(p (p) over bar -> Z + c jet)/sigma(p (p) over bar -> Z + jet) and sigma(p (p) over bar -> Z + jet)/sigma(p (p) over bar -> Z + b jet) for the associated production of a Z boson with at least one charm or bottom quark jet. Jets have transverse momentum p(T)(jet) > 20 GeV and pseudorapidity vertical bar eta(jet)vertical bar < 2.5. These cross section ratios are measured differentially as a function of jet and Z boson transverse momenta, based on 9.7 fb(-1) of p<(p)over bar> collisions collected with the D0 detector at the Fermilab Tevatron Collider at root s = 1.96 TeV. The measurements show significant deviations from perturbative QCD calculations and predictions from various event generators. C1 [Maciel, A. K. A.; 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. [Han, L.; Jiang, P.; Liu, Y.; Yang, S.] 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. 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M.] Panjab Univ, Chandigarh 160014, India. [Choudhary, B.; Dubey, A.] Univ Delhi, Delhi 110007, India. [Acharya, B. S.; Banerjee, S.; Mondal, N. K.] Tata Inst Fundamental Res, Mumbai 400005, Maharashtra, India. [Gruenewald, M. W.] Univ Coll Dublin, Dublin 2, Ireland. [Cho, S. W.; Choi, S.; Jeong, M. S.; Lee, H. S.; Lim, J. K.; Park, S. K.] Korea Univ, Korea Detector Lab, Seoul, South Korea. [Camacho-Perez, E.; Castilla-Valdez, H.; De La Cruz-Burelo, E.; Garcia-Gonzalez, J. A.; Heredia-De La Cruz, I.; Luna-Garcia, R.; Magana-Villalba, R.; Martinez-Ortega, J.; Sanchez-Hernandez, A.] CINVESTAV, Mexico City 14000, DF, Mexico. [de Jong, S. J.; Filthaut, F.; Meijer, M. M.; van Leeuwen, W. M.] NIKHEF H, NL-1009 DB Amsterdam, Netherlands. [de Jong, S. J.; Filthaut, F.; Meijer, M. M.] Radboud Univ Nijmegen, NL-6525 ED Nijmegen, Netherlands. [Abazov, V. M.; Alexeev, G. D.; Golovanov, G.; Kharzheev, Y. N.; Malyshev, V. L.; Tokmenin, V. V.; Verkheev, A. Y.; Vertogradov, L. S.; Yatsunenko, Y. 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P.; Ding, P. F.; Harder, K.; Head, T.; Hesketh, G.; McGivern, C. L.; Petridis, K.; Schwanenberger, C.; Soldner-Rembold, S.; Suter, L.; Vesterinen, M.; Wyatt, T. R.; Zhao, T. G.] Univ Manchester, Manchester M13 9PL, Lancs, England. [Das, A.; Johns, K.; Lei, X.; Nayyar, R.; Varnes, E. W.] Univ Arizona, Tucson, AZ 85721 USA. [Ellison, J.; Heinson, A. P.; Joshi, J.; Li, L.] Univ Calif Riverside, Riverside, CA 92521 USA. [Adams, T.; Askew, A.; Bandurin, D. V.; Blessing, S.; Hoang, T.; Lee, W. M.; Wahl, H. D.] Florida State Univ, Tallahassee, FL 32306 USA. [Bagby, L.; Baldin, B.; Bartlett, J. F.; Bellantoni, L.; Bhat, P. C.; Boehnlein, A.; Bross, A.; Bu, X. B.; Buehler, M.; Casey, B. C. K.; Cihangir, S.; Cooke, M.; Cooper, W. E.; Denisov, D.; Desai, S.; Diehl, H. T.; Diesburg, M.; Elvira, V. D.; Fisk, H. E.; Fuess, S.; Ginther, G.; Greenlee, H.; Gruenendahl, S.; Gutierrez, G.; Herner, K.; Illingworth, R.; Ito, A. S.; Johnson, M.; Jonckheere, A.; Jung, A. W.; Khalatyan, N.; Li, Q. Z.; Lincoln, D.; Lipton, R.; Lyon, A. L.; Melnitchouk, A.; Penning, B.; Podstavkov, V. M.; Rominsky, M.; Rubinov, P.; Savage, G.; Verzocchi, M.; Wang, M. H. L. S.; Xie, Y.; Yamada, R.; Yasuda, T.; Ye, Z.; Yin, H.; Youn, S. W.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Adams, M.; Bazterra, V.; Gerber, C. E.; Varelas, N.] Univ Illinois, Chicago, IL 60607 USA. [Blazey, G.; Eads, M.; Feng, L.; Fortner, M.; Hedin, D.; Menezes, D.; Uzunyan, S.] No Illinois Univ, De Kalb, IL 60115 USA. [Schellman, H.; Welty-Rieger, L.] Northwestern Univ, Evanston, IL 60208 USA. [Evans, H.; Lammers, S.; Parua, N.; Price, D.; Van Kooten, R.; Williams, M. R. J.; Zieminska, D.] Indiana Univ, Bloomington, IN 47405 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, IN 46323 USA. [Chan, K. M.; Hildreth, M. D.; Osta, J.; Ruchti, R.; Smirnov, D.; Warchol, J.; Wayne, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Hauptman, J. M.; Lee, S. W.] Iowa State Univ, Ames, IA 50011 USA. [Baringer, P.; Bean, A.; Chen, G.; Clutter, J.; Sekaric, J.; Wilson, G. W.] Univ Kansas, Lawrence, KS 66045 USA. [Atkins, S.; Sawyer, L.; Wobisch, M.] Louisiana Tech Univ, Ruston, LA 71272 USA. [Barberis, E.; Haley, J.; Wood, D. R.] Northeastern Univ, Boston, MA 02115 USA. [Alton, A.; 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.; Holzbauer, J. L.; 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. [Gershtein, Y.] Rutgers State Univ, Piscataway, NJ 08855 USA. [Tully, C.] Princeton Univ, Princeton, NJ 08544 USA. [Iashvili, I.; Kharchilava, A.; Kumar, A.; 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.] 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.; Narain, M.; Parihar, V.; Partridge, R.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; Howley, I.; Pal, A.] Univ Texas Arlington, Arlington, TX 76019 USA. [Ilchenko, Y.; Kehoe, R.; Liu, H.] So Methodist Univ, Dallas, TX 75275 USA. [Chandra, A.; Corcoran, M.; Hogan, J.; Orduna, J.; Prewitt, M.] Rice Univ, Houston, TX 77005 USA. [Watts, G.] 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 Lokajicek, Milos/G-7800-2014; Fisher, Wade/N-4491-2013; Lei, Xiaowen/O-4348-2014; Merkin, Mikhail/D-6809-2012; Li, Liang/O-1107-2015; Santos, Angelo/K-5552-2012; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Dudko, Lev/D-7127-2012; Kupco, Alexander/G-9713-2014; Kozelov, Alexander/J-3812-2014 OI Lei, Xiaowen/0000-0002-2564-8351; Li, Liang/0000-0001-6411-6107; Sharyy, Viatcheslav/0000-0002-7161-2616; Dudko, Lev/0000-0002-4462-3192; FU U.S. DOE (U.S.); NSF (U.S.); CEA (France); CNRS/IN2P3 (France); MON (Russia); NRC KI (Russia); RFBR (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. [1,17] for valuable discussions, and the staffs at Fermilab and collaborating institutions, and acknowledge support from the U.S. DOE and NSF (U.S.); 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 22 TC 7 Z9 7 U1 1 U2 10 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 JAN 27 PY 2014 VL 112 IS 4 AR 042001 DI 10.1103/PhysRevLett.112.042001 PG 7 WC Physics, Multidisciplinary SC Physics GA AB7BZ UT WOS:000331945600007 PM 24580440 ER PT J AU Agnese, R Anderson, AJ Asai, M Balakishiyeva, D Thakur, RB Bauer, DA Billard, J Borgland, A Bowles, MA Brandt, D Brink, PL Bunker, R Cabrera, B Caldwell, DO Cerdeno, DG Chagani, H Cooley, J Cornell, B Crewdson, CH Cushman, P Daal, M Di Stefano, PCF Doughty, T Esteban, L Fallows, S Figueroa-Feliciano, E Godfrey, GL Golwala, SR Hall, J Harris, HR Hertel, SA Hofer, T Holmgren, D Hsu, L Huber, ME Jastram, A Kamaev, O Kara, B Kelsey, MH Kennedy, A Kiveni, M Koch, K Loer, B Asamar, EL Mahapatra, R Mandic, V Martinez, C McCarthy, KA Mirabolfathi, N Moffatt, RA Moore, DC Nadeau, P Nelson, RH Page, K Partridge, R Pepin, M Phipps, A Prasad, K Pyle, M Qiu, H Rau, W Redl, P Reisetter, A Ricci, Y Saab, T Sadoulet, B Sander, J Schneck, K Schnee, RW Scorza, S Serfass, B Shank, B Speller, D Villano, AN Welliver, B Wright, DH Yellin, S Yen, JJ Young, BA Zhang, J AF Agnese, R. Anderson, A. J. Asai, M. Balakishiyeva, D. Thakur, R. Basu Bauer, D. A. Billard, J. Borgland, A. Bowles, M. A. Brandt, D. Brink, P. L. Bunker, R. Cabrera, B. Caldwell, D. O. Cerdeno, D. G. Chagani, H. Cooley, J. Cornell, B. Crewdson, C. H. Cushman, P. Daal, M. Di Stefano, P. C. F. Doughty, T. Esteban, L. Fallows, S. Figueroa-Feliciano, E. Godfrey, G. L. Golwala, S. R. Hall, J. Harris, H. R. Hertel, S. A. Hofer, T. Holmgren, D. Hsu, L. Huber, M. E. Jastram, A. Kamaev, O. Kara, B. Kelsey, M. H. Kennedy, A. Kiveni, M. Koch, K. Loer, B. Lopez Asamar, E. Mahapatra, R. Mandic, V. Martinez, C. McCarthy, K. A. Mirabolfathi, N. Moffatt, R. A. Moore, D. C. Nadeau, P. Nelson, R. H. Page, K. Partridge, R. Pepin, M. Phipps, A. Prasad, K. Pyle, M. Qiu, H. Rau, W. Redl, P. Reisetter, A. Ricci, Y. Saab, T. Sadoulet, B. Sander, J. Schneck, K. Schnee, R. W. Scorza, S. Serfass, B. Shank, B. Speller, D. Villano, A. N. Welliver, B. Wright, D. H. Yellin, S. Yen, J. J. Young, B. A. Zhang, J. CA SuperCDMS Collaboration TI Search for Low-Mass Weakly Interacting Massive Particles Using Voltage-Assisted Calorimetric Ionization Detection in the SuperCDMS Experiment SO PHYSICAL REVIEW LETTERS LA English DT Article ID DARK-MATTER; AMPLIFICATION; CHARGE AB SuperCDMS is an experiment designed to directly detect weakly interacting massive particles (WIMPs), a favored candidate for dark matter ubiquitous in the Universe. In this Letter, we present WIMP-search results using a calorimetric technique we call CDMSlite, which relies on voltage-assisted Luke-Neganov amplification of the ionization energy deposited by particle interactions. The data were collected with a single 0.6 kg germanium detector running for ten live days at the Soudan Underground Laboratory. A low energy threshold of 170 eV(ee) (electron equivalent) was obtained, which allows us to constrain new WIMP-nucleon spin-independent parameter space for WIMP masses below 6 GeV/c(2). C1 [Cornell, B.; Golwala, S. R.; Moore, D. C.; Nelson, R. H.] CALTECH, Div Phys Math & Astron, Pasadena, CA 91125 USA. [Thakur, R. Basu; Bauer, D. A.; Holmgren, D.; Hsu, L.; Loer, B.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Sadoulet, B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Anderson, A. J.; Billard, J.; Figueroa-Feliciano, E.; Hertel, S. A.; McCarthy, K. A.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Hall, J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Crewdson, C. H.; Di Stefano, P. C. F.; Kamaev, O.; Martinez, C.; Nadeau, P.; Page, K.; Rau, W.; Ricci, Y.] Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. [Young, B. A.] Santa Clara Univ, Dept Phys, Santa Clara, CA 95053 USA. [Asai, M.; Borgland, A.; Brandt, D.; Brink, P. L.; Godfrey, G. L.; Kelsey, M. H.; Partridge, R.; Schneck, K.; Wright, D. H.] Kavli Inst Particle Astrophys & Cosmol, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Cooley, J.; Kara, B.; Qiu, H.; Scorza, S.] So Methodist Univ, Dept Phys, Dallas, TX 75275 USA. [Cabrera, B.; Moffatt, R. A.; Redl, P.; Shank, B.; Yellin, S.; Yen, J. J.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Bowles, M. A.; Bunker, R.; Kiveni, M.; Schnee, R. W.] Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA. [Harris, H. R.; Jastram, A.; Mahapatra, R.; Prasad, K.] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. [Cerdeno, D. G.; Esteban, L.; Lopez Asamar, E.] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain. [Cerdeno, D. G.; Esteban, L.; Lopez Asamar, E.] Univ Autonoma Madrid, Inst Fis Teor UAM CSIC, E-28049 Madrid, Spain. [Daal, M.; Doughty, T.; Mirabolfathi, N.; Phipps, A.; Pyle, M.; Sadoulet, B.; Serfass, B.; Speller, D.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Caldwell, D. O.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Huber, M. E.] Univ Colorado, Dept Phys, Denver, CO 80217 USA. [Reisetter, A.] Univ Evansville, Dept Phys, Evansville, IN 47722 USA. [Agnese, R.; Balakishiyeva, D.; Saab, T.; Welliver, B.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Thakur, R. Basu] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Chagani, H.; Cushman, P.; Fallows, S.; Hofer, T.; Kennedy, A.; Koch, K.; Mandic, V.; Pepin, M.; Villano, A. N.; Zhang, J.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Sander, J.] Univ S Dakota, Dept Phys, Vermillion, SD 57069 USA. RP Agnese, R (reprint author), Univ Florida, Dept Phys, Gainesville, FL 32611 USA. EM bauer@fnal.gov RI Pyle, Matt/E-7348-2015; Hall, Jeter/E-9294-2015; OI Pyle, Matt/0000-0002-3490-6754; Holmgren, Donald/0000-0001-6701-7737; Cerdeno, David G./0000-0002-7649-1956 FU National Nanofabrication Infrastructure Network; National Science Foundation; Department of Energy; Fermilab URA Visiting Scholar Award; NSERC Canada; MULTIDARK; Fermi Research Alliance, LLC [De-AC02-07CH11359]; United States Department of Energy [DE-AC02-76SF00515] FX The SuperCDMS collaboration gratefully acknowledges Sten Hansen (PPD, Fermilab), and technical assistance from Jim Beaty and the staff of the Soudan Underground Laboratory and the Minnesota Department of Natural Resources. The iZIP detectors are fabricated in the Stanford Nanofabrication Facility, which is a member of the National Nanofabrication Infrastructure Network sponsored and supported by the National Science Foundation. Part of the research described in this Letter was conducted under the Ultra Sensitive Nuclear Measurements Initiative at Pacific Northwest National Laboratory, which is operated by Battelle for the U.S. Department of Energy. Funding and support were received from the National Science Foundation, the Department of Energy, a Fermilab URA Visiting Scholar Award, NSERC Canada, and MULTIDARK. Fermilab is operated by the Fermi Research Alliance, LLC under Contract No. De-AC02-07CH11359. SLAC is operated under Contract No. DE-AC02-76SF00515 with the United States Department of Energy. NR 64 TC 165 Z9 165 U1 3 U2 20 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 JAN 27 PY 2014 VL 112 IS 4 AR 041302 DI 10.1103/PhysRevLett.112.041302 PG 6 WC Physics, Multidisciplinary SC Physics GA AB7BZ UT WOS:000331945600006 ER PT J AU Chow, WW AF Chow, Weng W. TI Modeling of temperature and excitation dependences of efficiency in an InGaN light-emitting diode SO OPTICS EXPRESS LA English DT Article ID QUANTUM-WELLS; GAN; ALN; SEMICONDUCTORS; DROOP; LEDS; INN AB The changes in excitation dependence of efficiency with temperature are modeled for a wurtzite InGaN light-emitting diode. The model incorporates bandstructure changes with carrier density because of screening of quantum-confined Stark effect. Bandstructure is computed by solving Poisson and k.p equations in the envelope approximation. The information is used in a dynamical model for populations in momentum-resolved electron and hole states. Application of the approach shows the interplay of quantum-well and barrier emissions giving rise to shape changes in efficiency versus current density with changing temperature, as observed in some experiments. (C) 2014 Optical Society of America C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Chow, WW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM wwchow@sandia.gov FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; [SFB787] FX This work is performed at Sandia's Solid-State Lighting Science Center, an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. The author thanks helpful discussions with J. Wierer, the hospitality of the Technical University Berlin and travel support provided by SFB787. NR 30 TC 5 Z9 5 U1 1 U2 23 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 JAN 27 PY 2014 VL 22 IS 2 BP 1413 EP 1425 DI 10.1364/OE.22.001413 PG 13 WC Optics SC Optics GA 302EQ UT WOS:000330585100024 PM 24515149 ER PT J AU Tripathi, A McNulty, I Shpyrko, OG AF Tripathi, Ashish McNulty, Ian Shpyrko, Oleg G. TI Ptychographic overlap constraint errors and the limits of their numerical recovery using conjugate gradient descent methods SO OPTICS EXPRESS LA English DT Article ID RAY-DIFFRACTION MICROSCOPY; EXCHANGE STIFFNESS CONSTANT; X-RAY; PHASE RETRIEVAL; THIN-FILMS; RECONSTRUCTION; MULTILAYERS; ALGORITHMS; TB; GD AB Ptychographic coherent x-ray diffractive imaging is a form of scanning microscopy that does not require optics to image a sample. A series of scanned coherent diffraction patterns recorded from multiple overlapping illuminated regions on the sample are inverted numerically to retrieve its image. The technique recovers the phase lost by detecting the diffraction patterns by using experimentally known constraints, in this case the measured diffraction intensities and the assumed scan positions on the sample. The spatial resolution of the recovered image of the sample is limited by the angular extent over which the diffraction patterns are recorded and how well these constraints are known. Here, we explore how reconstruction quality degrades with uncertainties in the scan positions. We show experimentally that large errors in the assumed scan positions on the sample can be numerically determined and corrected using conjugate gradient descent methods. We also explore in simulations the limits, based on the signal to noise of the diffraction patterns and amount of overlap between adjacent scan positions, of just how large these errors can be and still be rendered tractable by this method. (C) 2014 Optical Society of America C1 [Tripathi, Ashish] La Trobe Univ, Dept Phys, ARC Ctr Excellence Coherent Xray Sci, Bundoora, Vic 3086, Australia. [McNulty, Ian] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Tripathi, Ashish; Shpyrko, Oleg G.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. RP Tripathi, A (reprint author), La Trobe Univ, Dept Phys, ARC Ctr Excellence Coherent Xray Sci, Bundoora, Vic 3086, Australia. EM a.tripathi@latrobe.edu.au FU Australian Research Council Centre of Excellence for Coherent X-ray Science; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001805, DE-AC02-06CH11357] FX The authors acknowledge the support of the Australian Research Council Centre of Excellence for Coherent X-ray Science and the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-SC0001805 and Contract DE-AC02-06CH11357. NR 40 TC 11 Z9 11 U1 1 U2 13 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 JAN 27 PY 2014 VL 22 IS 2 BP 1452 EP 1466 DI 10.1364/OE.22.001452 PG 15 WC Optics SC Optics GA 302EQ UT WOS:000330585100027 PM 24515152 ER PT J AU Feng, L Zhu, XF Yang, S Zhu, HY Zhang, P Yin, XB Wang, Y Zhang, X AF Feng, Liang Zhu, Xuefeng Yang, Sui Zhu, Hanyu Zhang, Peng Yin, Xiaobo Wang, Yuan Zhang, Xiang TI Demonstration of a large-scale optical exceptional point structure SO OPTICS EXPRESS LA English DT Article ID SYMMETRY AB We report a large-size (4-inch) optical exceptional point structure at visible frequencies by designing a multilayer structure of absorbing and non-absorbing dielectrics. The optical exceptional point was implemented as indicated by the realized unidirectional reflectionless light transport at a wafer scale. The associated abrupt phase transition is theoretically and experimentally confirmed when crossing over the exceptional point in wavelengths. The large scale demonstration of phase transition around exceptional points will open new possibilities in important applications in free space optical devices. (C) 2013 Optical Society of America C1 [Feng, Liang; Zhu, Xuefeng; Yang, Sui; Zhu, Hanyu; Zhang, Peng; Yin, Xiaobo; Wang, Yuan; Zhang, Xiang] Univ Calif Berkeley, Natl Sci Fdn, Nanoscale Sci & Engn Ctr, Berkeley, CA 94720 USA. [Zhu, Xuefeng] Huazhong Univ Sci & Technol, Wuhan 430074, Hubei, Peoples R China. [Yang, Sui; Yin, Xiaobo; Wang, Yuan; Zhang, Xiang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zhang, X (reprint author), Univ Calif Berkeley, Natl Sci Fdn, Nanoscale Sci & Engn Ctr, 3112 Etcheverry Hall, Berkeley, CA 94720 USA. EM xiang@berkeley.edu RI Wang, Yuan/F-7211-2011; Feng, Liang/H-7367-2014; Zhang, Peng/D-9624-2011; Zhang, Xiang/F-6905-2011; Yin, Xiaobo/A-4142-2011; Yang, Sui /H-4417-2016 FU U.S. Department of Energy, Basic Energy Sciences Energy Frontier Research Center (DoE-LMI-EFRC) [DOE DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy, Basic Energy Sciences Energy Frontier Research Center (DoE-LMI-EFRC) under award DOE DE-AC02-05CH11231. NR 19 TC 25 Z9 25 U1 3 U2 24 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 JAN 27 PY 2014 VL 22 IS 2 BP 1760 EP 1767 DI 10.1364/OE.22.001760 PG 8 WC Optics SC Optics GA 302EQ UT WOS:000330585100058 PM 24515183 ER PT J AU Garcia, DE Keasling, JD AF Garcia, David E. Keasling, Jay D. TI Kinetics of Phosphomevalonate Kinase from Saccharomyces cerevisiae SO PLOS ONE LA English DT Article ID ENGINEERED ESCHERICHIA-COLI; MEVALONATE PATHWAY; ISOPENTENYL DIPHOSPHATE; BIOFUELS PRODUCTION; BIOSYNTHESIS; MECHANISM; ENZYME; YEAST; IDENTIFICATION; TERPENOIDS AB The mevalonate-based isoprenoid biosynthetic pathway is responsible for producing cholesterol in humans and is used commercially to produce drugs, chemicals, and fuels. Heterologous expression of this pathway in Escherichia coli has enabled high-level production of the antimalarial drug artemisinin and the proposed biofuel bisabolane. Understanding the kinetics of the enzymes in the biosynthetic pathway is critical to optimize the pathway for high flux. We have characterized the kinetic parameters of phosphomevalonate kinase (PMK, EC 2.7.4.2) from Saccharomyces cerevisiae, a previously unstudied enzyme. An E. coli codon-optimized version of the S. cerevisiae gene was cloned into pET-52b+, then the C-terminal 6X His-tagged protein was expressed in E. coli BL21(DE3) and purified on a Ni2+ column. The K-M of the ATP binding site was determined to be 98.3 mu M at 30 degrees C, the optimal growth temperature for S. cerevisiae, and 74.3 mu M at 37 degrees C, the optimal growth temperature for E. coli. The K-M of the mevalonate-5-phosphate binding site was determined to be 885 mu M at 30 degrees C and 880 mu M at 37 degrees C. The V-max was determined to be 4.51 mu mol/min/mg enzyme at 30 degrees C and 5.33 mu mol/min/mg enzyme at 37 degrees C. PMK is Mg2+ dependent, with maximal activity achieved at concentrations of 10 mM or greater. Maximum activity was observed at pH = 7.2. PMK was not found to be substrate inhibited, nor feedback inhibited by FPP at concentrations up to 10 mu M FPP. C1 [Garcia, David E.; Keasling, Jay D.] Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Garcia, David E.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Garcia, David E.; 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 & Biomol Engn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Keasling, JD (reprint author), Joint BioEnergy Inst, Emeryville, CA 94608 USA. EM keasling@berkeley.edu RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 FU Joint BioEnergy Institute (JBEI); U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX This work was funded by the Joint BioEnergy Institute (JBEI), which is funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, under contract number DE-AC02-05CH11231. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 26 TC 1 Z9 2 U1 1 U2 26 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD JAN 27 PY 2014 VL 9 IS 1 AR e87112 DI 10.1371/journal.pone.0087112 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 301BI UT WOS:000330507300143 PM 24475236 ER PT J AU Golberg, A Linshiz, G Kravets, I Stawski, N Hillson, NJ Yarmush, ML Marks, RS Konry, T AF Golberg, Alexander Linshiz, Gregory Kravets, Ilia Stawski, Nina Hillson, Nathan J. Yarmush, Martin L. Marks, Robert S. Konry, Tania TI Cloud-Enabled Microscopy and Droplet Microfluidic Platform for Specific Detection of Escherichia coli in Water SO PLOS ONE LA English DT Article ID 16S RIBOSOMAL-RNA; DRINKING-WATER; INFECTIOUS-DISEASES; SYSTEMS; BURDEN; QUALITY; AMPLIFICATION; ENUMERATION; SANITATION; BACTERIA AB We report an all-in-one platform - ScanDrop - for the rapid and specific capture, detection, and identification of bacteria in drinking water. The ScanDrop platform integrates droplet microfluidics, a portable imaging system, and cloud-based control software and data storage. The cloud-based control software and data storage enables robotic image acquisition, remote image processing, and rapid data sharing. These features form a "cloud'' network for water quality monitoring. We have demonstrated the capability of ScanDrop to perform water quality monitoring via the detection of an indicator coliform bacterium, Escherichia coli, in drinking water contaminated with feces. Magnetic beads conjugated with antibodies to E. coli antigen were used to selectively capture and isolate specific bacteria from water samples. The bead-captured bacteria were co-encapsulated in pico-liter droplets with fluorescently-labeled anti-E. coli antibodies, and imaged with an automated custom designed fluorescence microscope. The entire water quality diagnostic process required 8 hours from sample collection to online-accessible results compared with 2-4 days for other currently available standard detection methods. C1 [Golberg, Alexander; Yarmush, Martin L.] Harvard Univ, Massachusetts Gen Hosp, Sch Med, Ctr Engn Med,Shriners Burns Inst, Boston, MA USA. [Linshiz, Gregory; Stawski, Nina; Hillson, Nathan J.] Joint BioEnergy Inst, Fuels Synth Div, Emeryville, CA USA. [Linshiz, Gregory; Stawski, Nina; Hillson, Nathan J.] Lawrence Berkeley Natl Labs, Phys BioSci Div, Berkeley, CA USA. [Linshiz, Gregory; Hillson, Nathan J.] DOE Joint Genome Inst, Walnut Creek, CA USA. [Kravets, Ilia] Technion Israel Inst Technol, Dept Comp Sci, IL-32000 Haifa, Israel. [Yarmush, Martin L.] Rutgers State Univ, Dept Biomed Engn, Piscataway, NJ 08855 USA. [Marks, Robert S.] Ben Gurion Univ Negev, Natl Inst Biotechnol Negev, Dept Biotechnol Engn, IL-84105 Beer Sheva, Israel. [Marks, Robert S.] Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore. [Marks, Robert S.] NRF CREATE Program Nanomat Energy & Water Managem, Singapore, Singapore. [Konry, Tania] Northeastern Univ, Dept Pharmaceut Sci, Sch Pharm Bouve, Coll Hlth Sci, Boston, MA 02115 USA. RP Konry, T (reprint author), Northeastern Univ, Dept Pharmaceut Sci, Sch Pharm Bouve, Coll Hlth Sci, Boston, MA 02115 USA. EM t.konry@neu.edu FU Shriners Foundation [85120-BOS]; Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy [DE-AC02-05CH11231]; Singapore National Research Foundation; Campus for Research Excellence And Technological Enterprise (CREATE) program for the project 'Nanomaterials for Energy and Water Management' FX AG and MY acknowledge Shriners Foundation Grant #85120-BOS for the support of this work. The portion of this work conducted by the Joint BioEnergy Institute, and the U.S. Department of Energy Joint Genome Institute, was supported by the Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy (Contract No. DE-AC02-05CH11231). This research is funded in part by the Singapore National Research Foundation and the publication is supported under the Campus for Research Excellence And Technological Enterprise (CREATE) program for the project 'Nanomaterials for Energy and Water Management'. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 57 TC 11 Z9 11 U1 4 U2 52 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 JAN 27 PY 2014 VL 9 IS 1 AR e86341 DI 10.1371/journal.pone.0086341 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 301BI UT WOS:000330507300055 PM 24475107 ER PT J AU Tung, YH Johnson, RW Ferng, YM Chieng, CC AF Tung, Yu-Hsin Johnson, Richard W. Ferng, Yuh-Ming Chieng, Ching-Chang TI Bypass flow computations on the LOFA transient in a VHTR SO APPLIED THERMAL ENGINEERING LA English DT Article DE Bypass flow; Transient; Natural convection; CFD; VHTR ID HIGH-TEMPERATURE REACTOR; PRISMATIC VHTR; HEAT-TRANSFER; MODELS AB Bypass flow in the prismatic gas-cooled very high temperature reactor (VHTR) is not intentionally designed to occur, but is present in the gaps between graphite blocks. Previous studies of the bypass flow in the core indicated that the cooling provided by flow in the bypass gaps had a significant effect on temperature and flow distributions for normal operating conditions. However, the flow and heat transports in the core are changed significantly after a Loss of Flow Accident (LOFA). This study aims to study the effect and role of the bypass flow after a LOFA in terms of the temperature and flow distributions and for the heat transport out of the core by natural convection of the coolant for a 1/12 symmetric section of the active core which is composed of images and mirror images of two sub-region models. The two sub-region models, 9 x 1/12 and 15 x 1/12 symmetric sectors of the active core, are employed as the CFD flow models using computational grid systems of 70.2 million and 117 million nodes, respectively. It is concluded that the effect of bypass flow is significant for the initial conditions and the beginning of LOFA, but the bypass flow has little effect after a long period of time in the transient computation of natural circulation. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Tung, Yu-Hsin; Ferng, Yuh-Ming] Natl Tsing Hua Univ, Inst Nucl Engn & Sci, Hsinchu, Taiwan. [Johnson, Richard W.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Chieng, Ching-Chang] City Univ Hong Kong, Dept Mech & Biomed Engn, Kowloon, Hong Kong, Peoples R China. RP Chieng, CC (reprint author), City Univ Hong Kong, Dept Mech & Biomed Engn, Kowloon, Hong Kong, Peoples R China. EM cchieng@ess.nthu.edu.tw FU National Center for High-Performance Computing, Taiwan; National Science Council, Taiwan [NSC 100-2623-E-007-003-NU] FX The authors thank the National Center for High-Performance Computing, Taiwan for computing resources and the National Science Council, Taiwan for financial support under Grant NSC 100-2623-E-007-003-NU. NR 17 TC 1 Z9 1 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-4311 J9 APPL THERM ENG JI Appl. Therm. Eng. PD JAN 25 PY 2014 VL 62 IS 2 BP 415 EP 423 DI 10.1016/j.applthermaleng.2013.10.003 PG 9 WC Thermodynamics; Energy & Fuels; Engineering, Mechanical; Mechanics SC Thermodynamics; Energy & Fuels; Engineering; Mechanics GA AA2FO UT WOS:000330910700013 ER PT J AU Xing, CH Jensen, C Folsom, C Ban, H Marshall, DW AF Xing, Changhu Jensen, Colby Folsom, Charles Ban, Heng Marshall, Douglas W. TI An optimal guarding scheme for thermal conductivity measurement using a guarded cut-bar technique, part 1 experimental study SO APPLIED THERMAL ENGINEERING LA English DT Article DE Thermal conductivity; Guarded cut-bar technique; Experimental measurement; Optimal guarding ID METAL HYDRIDE COMPACTS; HIGH-TEMPERATURES; STEADY-STATE; APPARATUS AB In the guarded cut-bar technique, a guard surrounding the measured sample and reference (meter) bars is temperature controlled to carefully regulate heat losses from the sample and reference bars. Guarding is typically carried out by matching the temperature profiles between the guard and the test stack of sample and meter bars. Problems arise in matching the profiles, especially when the thermal conductivities of the meter bars and of the sample differ, as is usually the case. In a previous numerical study, the applied guarding condition (guard temperature profile) was found to be an important factor in measurement accuracy. Different from the linear-matched or isothermal schemes recommended in literature, the optimal guarding condition is dependent on the system geometry and thermal conductivity ratio of sample to meter bar. To validate the numerical results, an experimental study was performed to investigate the resulting error under different guarding conditions using stainless steel 304 as both the sample and meter bars. The optimal guarding condition was further verified on a certified reference material, pyroceram 9606, and 99.95% pure iron whose thermal conductivities are much smaller and much larger, respectively, than that of the stainless steel meter bars. Additionally, measurements are performed using three different inert gases to show the effect of the insulation effective thermal conductivity on measurement error, revealing low conductivity, argon gas, gives the lowest error sensitivity when deviating from the optimal condition. The result of this study provides a general guideline for the specific measurement method and for methods requiring optimal guarding or insulation. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Xing, Changhu; Jensen, Colby; Folsom, Charles; Ban, Heng] Utah State Univ, Dept Mech & Aerosp Engn, Logan, UT 84322 USA. [Marshall, Douglas W.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Xing, CH (reprint author), Utah State Univ, Dept Mech & Aerosp Engn, 4130 Old Main Hill, Logan, UT 84322 USA. EM changhu.xing@usu.edu OI Jensen, Colby/0000-0001-8925-7758 FU U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office [DE-AC07-05ID14517]; Department of Energy Nuclear Energy University Programs Graduate Fellowship FX The work is supported by U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office, contract DE-AC07-05ID14517. Work performed by Colby Jensen is supported under a Department of Energy Nuclear Energy University Programs Graduate Fellowship. NR 27 TC 7 Z9 8 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-4311 J9 APPL THERM ENG JI Appl. Therm. Eng. PD JAN 25 PY 2014 VL 62 IS 2 BP 850 EP 857 DI 10.1016/j.applthermaleng.2013.03.040 PG 8 WC Thermodynamics; Energy & Fuels; Engineering, Mechanical; Mechanics SC Thermodynamics; Energy & Fuels; Engineering; Mechanics GA AA2FO UT WOS:000330910700062 ER PT J AU Amoroso, J Marra, J Conradson, SD Tang, M Brinkman, K AF Amoroso, Jake Marra, James Conradson, Steven D. Tang, Ming Brinkman, Kyle TI Melt processed single phase hollandite waste forms for nuclear waste immobilization: Ba(1.0)Cs(0.3)A(2.3)Ti(5.7)O(16); A = Cr, Fe, Al SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE Waste form; Nuclear materials; Chemical durability ID CERAMICS; SYNROC; CESIUM AB Cs is one of the more problematic fission product radionuclides to immobilize due to its high volatility at elevated temperatures, ability to form water soluble compounds, and its mobility in many host materials. The hollandite structure is a promising crystalline host for Cs immobilization and has been traditionally fabricated by solid state sintering methods. This study presents the structure and performance of Ba(1.0)Cs(0.3)A(2.3)Ti(5.7)O(16); A = Cr, Fe, Al hollandite fabricated by melt processing. Melt processing is considered advantageous given that melters are currently in use for High Level Waste (HLW) vitrification in several countries. This work details the impact of Cr additions that were demonstrated to (i) promote the formation of a Cs containing hollandite phase and (ii) maintain the stability of the hollandite phase in reducing conditions anticipated for multiphase waste form processing. (C) 2013 Elsevier B.V. All rights reserved. C1 [Amoroso, Jake; Marra, James; Brinkman, Kyle] Savannah River Natl Lab, Aiken, SC 29808 USA. [Conradson, Steven D.; Tang, Ming] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Brinkman, K (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM kyle.brinkman@srnl.doe.gov OI Brinkman, Kyle/0000-0002-2219-1253 FU U. S. Department of Energy [DE-AC09-08SR22470] FX This document was prepared in conjunction with work accomplished under Contract No. DE-AC09-08SR22470 with the U. S. Department of Energy. The authors acknowledge gratefully the financial support of the DOE-NE Separations and Waste Form program including program support from John Vienna and Terry Todd. D. Missimer gratefully acknowledged for processing and characterization work. NR 26 TC 11 Z9 12 U1 11 U2 40 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD JAN 25 PY 2014 VL 584 BP 590 EP 599 DI 10.1016/j.jallcom.2013.09.087 PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 254BI UT WOS:000327135400094 ER PT J AU Rothganger, F Warrender, CE Trumbo, D Aimone, JB AF Rothganger, Fredrick Warrender, Christina E. Trumbo, Derek Aimone, James B. TI N2A: a computational tool for modeling from neurons to algorithms SO FRONTIERS IN NEURAL CIRCUITS LA English DT Article DE neuroinformatics; computational modeling; computational neuroscience; structural plasticity; biologically realistic modeling ID WORKING-MEMORY; NETWORKS; SIMULATION AB The exponential increase in available neural data has combined with the exponential growth in computing ("Moore's law") to create new opportunities to understand neural systems at large scale and high detail. The ability to produce large and sophisticated simulations has introduced unique challenges to neuroscientists. Computational models in neuroscience are increasingly broad efforts, often involving the collaboration of experts in different domains. Furthermore, the size and detail of models have grown to levels for which understanding the implications of variability and assumptions is no longer trivial. Here, we introduce the model design platform N2A which aims to facilitate the design and validation of biologically realistic models. N2A uses a hierarchical representation of neural information to enable the integration of models from different users. N2A streamlines computational validation of a model by natively implementing standard tools in sensitivity analysis and uncertainty quantification. The part-relationship representation allows both network-level analysis and dynamical simulations. We will demonstrate how N2A can be used in a range of examples, including a simple Hodgkin-Huxley cable model, basic parameter sensitivity of an 80/20 network, and the expression of the structural plasticity of a growing dendrite and stem cell proliferation and differentiation. C1 [Rothganger, Fredrick; Warrender, Christina E.; Trumbo, Derek; Aimone, James B.] Sandia Natl Labs, Cognit Modeling Dept, Albuquerque, NM 87185 USA. RP Rothganger, F (reprint author), Sandia Natl Labs, Cognit Modeling Dept, 1515 Eubank Blvd,MS-1327, Albuquerque, NM 87185 USA. EM frothga@sandia.gov; jbaimon@sandia.gov RI Aimone, James/H-4694-2016 OI Aimone, James/0000-0002-7361-253X FU 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 Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. We would like to thank Rich Schiek, Corinne Teeter, and Alex Duda for helpful discussions and comments. NR 30 TC 3 Z9 3 U1 1 U2 6 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1662-5110 J9 FRONT NEURAL CIRCUIT JI Front. Neural Circuits PD JAN 24 PY 2014 VL 8 AR 1 DI 10.3389/fncir.2014.00001 PG 12 WC Neurosciences SC Neurosciences & Neurology GA AC7KI UT WOS:000332706700001 PM 24478635 ER PT J AU Ma, L Jackson, KA Wang, JG Horoi, M Jellinek, J AF Ma, Li Jackson, Koblar Alan Wang, Jianguang Horoi, Mihai Jellinek, Julius TI Investigating the metallic behavior of Na clusters using site-specific polarizabilities SO PHYSICAL REVIEW B LA English DT Article ID SODIUM CLUSTERS; DIPOLE POLARIZABILITIES; SYSTEMS; APPROXIMATION; OPTIMIZATION; PHYSICS AB A site-specific analysis scheme based on density functional theory is used to investigate the static polarizability response of Na-N clusters for N up to 80. The cluster structures used in the study stem from extensive searches for the respective global minima. The analysis involves partitioning the total cluster polarizability exactly into site (or atomic) contributions; it also results in the decomposition of the polarizability into local (or dipole) and charge transfer contributions. The computed total polarizabilities are found to be in excellent agreement with recent experimental measurements up to a small overall shift. The site analysis provides clear evidence that interior atoms in sodium clusters are strongly screened from an applied external field by the charge induced at the cluster surface. In addition, cluster size trends in the local and charge transfer contributions are shown to be reproduced very well by a simple metal sphere model. The overall picture is that of clusters exhibiting metallic behavior down to the smallest sizes. C1 [Ma, Li; Wang, Jianguang] NW Univ Xian, Dept Phys, Xian 710069, Peoples R China. [Jackson, Koblar Alan; Horoi, Mihai] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA. [Jellinek, Julius] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Ma, L (reprint author), NW Univ Xian, Dept Phys, Xian 710069, Peoples R China. EM mali@nwu.edu.cn; jacks1ka@cmich.edu; jellinek@anl.gov RI Ma, Li/B-1815-2016; Wang, Jianguang/B-4594-2016; OI Ma, Li/0000-0003-0002-6350; Jackson, Koblar/0000-0002-5342-7978 FU National Natural Science Foundation of China [11204240]; Research Fund for the Doctoral Program of Higher Education of China [20126101120023]; Scientific Research Projects of Shaanxi Provincial Department of Education [12JK0956]; Technology Foundation for Selected Overseas Chinese Scholar; US Department of Energy [DE-SC0001330]; Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, US Department of Energy [DE-AC02-06CH11357]; U.S. National Science Foundation [PHY-1068217] FX We are grateful to Dr. Andres Aguado for providing us with structures for the larger Na clusters. We also benefitted from discussions with Prof. L. C. Balbas regarding the nature of Na clusters. K.A.J. is grateful for the hospitality of the University of Minnesota School of Physics and Astronomy, and particularly that of Prof. Ken Heller, during his sabbatical leave. Most of the calculations described in this work were performed at the HPCC at Michigan State University. M. L. was supported by the National Natural Science Foundation of China (Grant No. 11204240), the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20126101120023), the Scientific Research Projects of Shaanxi Provincial Department of Education (Grant No. 12JK0956), and the Technology Foundation for Selected Overseas Chinese Scholar. K.A.J. was supported by the US Department of Energy Grant No. DE-SC0001330. J.J. was supported by the Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, US Department of Energy under Contract No. DE-AC02-06CH11357. M. H. acknowledges U.S. National Science Foundation Grant No. PHY-1068217. NR 39 TC 6 Z9 6 U1 2 U2 14 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 JAN 24 PY 2014 VL 89 IS 3 AR 035429 DI 10.1103/PhysRevB.89.035429 PG 10 WC Physics, Condensed Matter SC Physics GA AC1EA UT WOS:000332235800003 ER PT J AU Dandoloff, R Jensen, B Saxena, A AF Dandoloff, Rossen Jensen, Bjorn Saxena, Avadh TI Generalized anti-centrifugal potential SO PHYSICS LETTERS A LA English DT Article ID QUANTUM-MECHANICS; PARTICLE; FORCE; WAVE; GEOMETRY AB We generalize the quantum anti-centrifugal potential in the two-dimensional Euclidean plane to two-dimensional surfaces embedded in three-dimensional Euclidean space. We consider the sphere with two caps removed in some detail. We show that quantum particles in this space are "pushed" towards either of the cap boundaries. We also consider the two-dimensional Euclidean plane with an elliptic area removed and compute the quantum anti-centrifugal potential on the elliptic boundary. It is argued that a sufficiently thin electrically conducting nano-wire shaped as an ellipse will exhibit an inhomogeneous charge distribution due to this quantum potential. (C) 2013 Elsevier B.V. All rights reserved. C1 [Dandoloff, Rossen] Univ Cergy Pontoise, Lab Phys Theor & Modelisat, F-95302 Cergy Pontoise, France. [Jensen, Bjorn] Vestfold Univ Coll, Dept Micro & Nano Syst Technol, N-3103 Tonsberg, Norway. [Saxena, Avadh] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Saxena, Avadh] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Saxena, A (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM avadh@lanl.gov FU US Department of Energy FX B.J. acknowledges the hospitality of Universite de Cergy-Pontoise and A.S. was supported by the US Department of Energy. NR 21 TC 1 Z9 1 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9601 EI 1873-2429 J9 PHYS LETT A JI Phys. Lett. A PD JAN 24 PY 2014 VL 378 IS 5-6 BP 510 EP 513 DI 10.1016/j.physleta.2013.12.016 PG 4 WC Physics, Multidisciplinary SC Physics GA AA2HS UT WOS:000330916300009 ER PT J AU Lall-Ramnarine, SI Mukhlall, JA Wishart, JF Engel, RR Romeo, AR Gohdo, M Ramati, S Berman, M Suarez, SN AF Lall-Ramnarine, Sharon I. Mukhlall, Joshua A. Wishart, James F. Engel, Robert R. Romeo, Alicia R. Gohdo, Masao Ramati, Sharon Berman, Marc Suarez, Sophia N. TI Cyclic phosphonium ionic liquids SO BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY LA English DT Article DE cyclic phosphonium; ionic liquid; organophosphorus; phosphinanium; phospholanium; phosphonium ID ELECTROCHEMICAL PROPERTIES; PHYSICOCHEMICAL PROPERTIES; ACTINIDES; VISCOSITY; CATIONS AB Ionic liquids (ILs) incorporating cyclic phosphonium cations are a novel category of materials. We report here on the synthesis and characterization of four new cyclic phosphonium bis(trifluoromethylsulfonyl)amide ILs with aliphatic and aromatic pendant groups. In addition to the syntheses of these novel materials, we report on a comparison of their properties with their ammonium congeners. These exemplars are slightly less conductive and have slightly smaller self-diffusion coefficients than their cyclic ammonium congeners. C1 [Lall-Ramnarine, Sharon I.; Mukhlall, Joshua A.; Romeo, Alicia R.; Ramati, Sharon] CUNY Queensborough Community Coll, Dept Chem, Bayside, NY 11364 USA. [Mukhlall, Joshua A.; Engel, Robert R.; Ramati, Sharon] CUNY Queens Coll, Dept Chem & Biochem, Flushing, NY 11367 USA. [Wishart, James F.; Gohdo, Masao] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Gohdo, Masao] Osaka Univ, Inst Sci & Ind Res, Ibaraki, Osaka 5670047, Japan. [Berman, Marc] CUNY Hunter Coll, Dept Phys & Astron, New York, NY 10065 USA. [Suarez, Sophia N.] CUNY Brooklyn Coll, Dept Phys, Brooklyn, NY 11210 USA. RP Lall-Ramnarine, SI (reprint author), CUNY Queensborough Community Coll, Dept Chem, 222-05 56th Ave, Bayside, NY 11364 USA. EM slallramnarine@qcc.cuny.edu; wishart@bnl.gov; Robert.engel@qc.cuny.edu RI Wishart, James/L-6303-2013; OI Wishart, James/0000-0002-0488-7636; Suarez, Sophia /0000-0001-6246-3498 FU City University of New York Energy Institute; Professional Staff Congress of the City University of New York (PSC-CUNY) Research Award Program [43]; U. S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences Geosciences and Biosciences [DE-AC02-98CH10886] FX The authors thank the office of Educational Programs at Brookhaven National Laboratory and the NSF NYC Louis Stokes Alliance for Minority Participation program for student internship support. This work was supported by the City University of New York Energy Institute, the Professional Staff Congress of the City University of New York (PSC-CUNY) Research Award Program - 43 and the U. S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences Geosciences and Biosciences under contract # DE-AC02-98CH10886. NR 35 TC 8 Z9 8 U1 4 U2 26 PU BEILSTEIN-INSTITUT PI FRANKFURT AM MAIN PA TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY SN 1860-5397 J9 BEILSTEIN J ORG CHEM JI Beilstein J. Org. Chem. PD JAN 24 PY 2014 VL 10 BP 271 EP 275 DI 10.3762/bjoc.10.22 PG 5 WC Chemistry, Organic SC Chemistry GA AA1DH UT WOS:000330836000001 PM 24605146 ER PT J AU Peng, JJ Wang, YD Chen, J AF Peng, Jiajie Wang, Yadong Chen, Jin TI Towards integrative gene functional similarity measurement SO BMC BIOINFORMATICS LA English DT Article ID SEMANTIC SIMILARITY; GO TERMS; ONTOLOGY; ANNOTATION; TAXONOMY AB Background: In Gene Ontology, the "Molecular Function" (MF) categorization is a widely used knowledge framework for gene function comparison and prediction. Its structure and annotation provide a convenient way to compare gene functional similarities at the molecular level. The existing gene similarity measures, however, solely rely on one or few aspects of MF without utilizing all the rich information available including structure, annotation, common terms, lowest common parents. Results: We introduce a rank-based gene semantic similarity measure called InteGO by synergistically integrating the state-of-the-art gene-to-gene similarity measures. By integrating three GO based seed measures, InteGO significantly improves the performance by about two-fold in all the three species studied (yeast, Arabidopsis and human). Conclusions: InteGO is a systematic and novel method to study gene functional associations. The software and description are available at http://www.msu.edu/similar to jinchen/InteGO. C1 [Peng, Jiajie; Wang, Yadong] Harbin Inst Technol, Sch Comp Sci & Technol, Harbin 150006, Peoples R China. [Peng, Jiajie; Chen, Jin] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. [Chen, Jin] Michigan State Univ, Dept Comp Sci & Engn, E Lansing, MI 48824 USA. RP Wang, YD (reprint author), Harbin Inst Technol, Sch Comp Sci & Technol, Harbin 150006, Peoples R China. EM ydwang@hit.edu.cn; jinchen@msu.edu RI Peng, Jiajie/C-7776-2016 FU U.S. Department of Energy (Chemical Sciences, Geosciences and Biosciences Division) [DE-FG02-91ER20021]; National High Technology Research and Development Program of China [2012AA020404, 2012AA02A602, 2012AA02A604]; National Natural Science Foundation of China [61173085] FX This project has been funded by the U.S. Department of Energy (Chemical Sciences, Geosciences and Biosciences Division, grant no. DE-FG02-91ER20021 to J.C; the National High Technology Research and Development Program of China grant (no. 2012AA020404, 2012AA02A602 and 2012AA02A604) and the National Natural Science Foundation of China grant (no. 61173085) to Y. W. NR 34 TC 7 Z9 7 U1 1 U2 9 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2105 J9 BMC BIOINFORMATICS JI BMC Bioinformatics PD JAN 24 PY 2014 VL 15 SU 2 AR S5 DI 10.1186/1471-2105-15-S2-S5 PG 10 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology GA 303QA UT WOS:000330688000005 PM 24564710 ER PT J AU Liu, XW Segar, MW Li, SC Kim, S AF Liu, Xiaowen Segar, Matthew W. Li, Shuai Cheng Kim, Sangtae TI Spectral probabilities of top-down tandem mass spectra SO BMC GENOMICS LA English DT Article; Proceedings Paper CT 12th Asia Pacific Bioinformatics Conference (APBC) CY JAN 17-19, 2014 CL Shanghai, PEOPLES R CHINA ID PROTEIN IDENTIFICATION; DATABASE SEARCH; SPECTROMETRY; BIOMARKERS; PROTEOMICS; DISCOVERY; SEQUENCES; ALIGNMENT; PEPTIDES AB Background: In mass spectrometry-based proteomics, the statistical significance of a peptide-spectrum or protein-spectrum match is an important indicator of the correctness of the peptide or protein identification. In bottom-up mass spectrometry, probabilistic models, such as the generating function method, have been successfully applied to compute the statistical significance of peptide-spectrum matches for short peptides containing no post-translational modifications. As top-down mass spectrometry, which often identifies intact proteins with post-translational modifications, becomes available in many laboratories, the estimation of statistical significance of top-down protein identification results has come into great demand. Results: In this paper, we study an extended generating function method for accurately computing the statistical significance of protein-spectrum matches with post-translational modifications. Experiments show that the extended generating function method achieves high accuracy in computing spectral probabilities and false discovery rates. Conclusions: The extended generating function method is a non-trivial extension of the generating function method for bottom-up mass spectrometry. It can be used to choose the correct protein-spectrum match from several candidate protein-spectrum matches for a spectrum, as well as separate correct protein-spectrum matches from incorrect ones identified from a large number of tandem mass spectra. C1 [Liu, Xiaowen; Segar, Matthew W.] Indiana Univ Purdue Univ, Dept BioHlth Informat, Indianapolis, IN 46202 USA. [Liu, Xiaowen] Indiana Univ Sch Med, Ctr Computat Biol & Bioinformat, Indianapolis, IN 46202 USA. [Li, Shuai Cheng] City Univ Hong Kong, Dept Comp Sci, Kowloon, Hong Kong, Peoples R China. [Kim, Sangtae] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Liu, XW (reprint author), Indiana Univ Purdue Univ, Dept BioHlth Informat, 535 W Michigan St, Indianapolis, IN 46202 USA. NR 25 TC 5 Z9 5 U1 0 U2 7 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 JAN 24 PY 2014 VL 15 SU 1 AR S9 DI 10.1186/1471-2164-15-S1-S9 PG 9 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 303SG UT WOS:000330693900009 PM 24564718 ER PT J AU Awad, S Chen, J AF Awad, Sherine Chen, Jin TI Inferring transcription factor collaborations in gene regulatory networks SO BMC SYSTEMS BIOLOGY LA English DT Article; Proceedings Paper CT 12th Asia Pacific Bioinformatics Conference (APBC) CY JAN 17-19, 2014 CL Shanghai, PEOPLES R CHINA ID SACCHAROMYCES-CEREVISIAE; EXPRESSION DATA; GENOME; YEAST; MODULES; DISCOVERY; TARGETS; REVEALS; PROTEIN; CELL AB Background: Living cells are realized by complex gene expression programs that are moderated by regulatory proteins called transcription factors (TFs). The TFs control the differential expression of target genes in the context of transcriptional regulatory networks (TRNs), either individually or in groups. Deciphering the mechanisms of how the TFs control the expression of target genes is a challenging task, especially when multiple TFs collaboratively participate in the transcriptional regulation. Results: We model the underlying regulatory interactions in terms of the directions (activation or repression) and their logical roles (necessary and/or sufficient) with a modified association rule mining approach, called mTRIM. The experiment on Yeast discovered 670 regulatory interactions, in which multiple TFs express their functions on common target genes collaboratively. The evaluation on yeast genetic interactions, TF knockouts and a synthetic dataset shows that our algorithm is significantly better than the existing ones. Conclusions: mTRIM is a novel method to infer TF collaborations in transcriptional regulation networks. mTRIM is available at http://www.msu.edu/similar to jinchen/mTRIM. C1 [Awad, Sherine; Chen, Jin] Michigan State Univ, Dept Comp Sci & Engn, E Lansing, MI 48824 USA. [Chen, Jin] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. RP Chen, J (reprint author), Michigan State Univ, Dept Comp Sci & Engn, E Lansing, MI 48824 USA. EM jinchen@msu.edu NR 32 TC 4 Z9 4 U1 0 U2 6 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1752-0509 J9 BMC SYST BIOL JI BMC Syst. Biol. PD JAN 24 PY 2014 VL 8 SU 1 AR S1 DI 10.1186/1752-0509-8-S1-S1 PG 10 WC Mathematical & Computational Biology SC Mathematical & Computational Biology GA 303SW UT WOS:000330695800001 PM 24565025 ER PT J AU Taylor, K Kleinhesselink, K George, MD Morgan, R Smallwood, T Hammonds, AS Fuller, PM Saelao, P Alley, J Gibbs, AG Hoshizaki, DK von Kalm, L Fuller, CA Beckingham, KM Kimbrell, DA AF Taylor, Katherine Kleinhesselink, Kurt George, Michael D. Morgan, Rachel Smallwood, Tangi Hammonds, Ann S. Fuller, Patrick M. Saelao, Perot Alley, Jeff Gibbs, Allen G. Hoshizaki, Deborah K. von Kalm, Laurence Fuller, Charles A. Beckingham, Kathleen M. Kimbrell, Deborah A. TI Toll Mediated Infection Response Is Altered by Gravity and Spaceflight in Drosophila SO PLOS ONE LA English DT Article ID HEAT-SHOCK PROTEINS; IMMUNE-RESPONSE; MELANOGASTER AB Space travel presents unlimited opportunities for exploration and discovery, but requires better understanding of the biological consequences of long-term exposure to spaceflight. Immune function in particular is relevant for space travel. Human immune responses are weakened in space, with increased vulnerability to opportunistic infections and immune-related conditions. In addition, microorganisms can become more virulent in space, causing further challenges to health. To understand these issues better and to contribute to design of effective countermeasures, we used the Drosophila model of innate immunity to study immune responses in both hypergravity and spaceflight. Focusing on infections mediated through the conserved Toll and Imd signaling pathways, we found that hypergravity improves resistance to Toll-mediated fungal infections except in a known gravitaxis mutant of the yuri gagarin gene. These results led to the first spaceflight project on Drosophila immunity, in which flies that developed to adulthood in microgravity were assessed for immune responses by transcription profiling on return to Earth. Spaceflight alone altered transcription, producing activation of the heat shock stress system. Space flies subsequently infected by fungus failed to activate the Toll pathway. In contrast, bacterial infection produced normal activation of the Imd pathway. We speculate on possible linkage between functional Toll signaling and the heat shock chaperone system. Our major findings are that hypergravity and spaceflight have opposing effects, and that spaceflight produces stress-related transcriptional responses and results in a specific inability to mount a Toll-mediated infection response. C1 [Taylor, Katherine; Kleinhesselink, Kurt; Saelao, Perot; Kimbrell, Deborah A.] Univ Calif Davis, Dept Mol & Cellular Biol, Davis, CA 95616 USA. [George, Michael D.] Univ Calif Davis, Dept Med Microbiol & Immunol, Davis, CA 95616 USA. [Morgan, Rachel; Smallwood, Tangi; von Kalm, Laurence] Univ Cent Florida, Dept Biol, Orlando, FL 32816 USA. [Hammonds, Ann S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Genome Dynam, Berkeley, CA 94720 USA. [Fuller, Patrick M.; Fuller, Charles A.] Univ Calif Davis, Dept Neurobiol Physiol & Behav, Davis, CA 95616 USA. [Alley, Jeff] Laverlam Int, Butte, MT USA. [Gibbs, Allen G.; Hoshizaki, Deborah K.] Univ Nevada, Sch Life Sci, Las Vegas, NV 89154 USA. [Beckingham, Kathleen M.] Rice Univ, Dept Biochem & Cell Biol, Houston, TX 77251 USA. RP Kimbrell, DA (reprint author), Univ Calif Davis, Dept Mol & Cellular Biol, Davis, CA 95616 USA. EM dakimbrell@ucdavis.edu RI Gibbs, Allen/G-6939-2014 FU National Aeronautics and Space Administration [NNA04CC76A, NNA05CV40A] FX This work was funded by grants from the National Aeronautics and Space Administration, NNA04CC76A and NNA05CV40A to DAK. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 16 TC 6 Z9 6 U1 2 U2 21 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 JAN 24 PY 2014 VL 9 IS 1 AR e86485 DI 10.1371/journal.pone.0086485 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 298QQ UT WOS:000330339800049 PM 24475130 ER PT J AU Neto, EHD Aynajian, P Frano, A Comin, R Schierle, E Weschke, E Gyenis, A Wen, JS Schneeloch, J Xu, ZJ Ono, S Gu, GD Le Tacon, M Yazdani, A AF da Silva Neto, Eduardo H. Aynajian, Pegor Frano, Alex Comin, Riccardo Schierle, Enrico Weschke, Eugen Gyenis, Andras Wen, Jinsheng Schneeloch, John Xu, Zhijun Ono, Shimpei Gu, Genda Le Tacon, Mathieu Yazdani, Ali TI Ubiquitous Interplay Between Charge Ordering and High-Temperature Superconductivity in Cuprates SO SCIENCE LA English DT Article ID QUASI-PARTICLE INTERFERENCE; FLUCTUATING STRIPES; COOPER PAIRS; BI2SR2CACU2O8+DELTA; PSEUDOGAP; ONSET; STATE; GAP AB Besides superconductivity, copper-oxide high-temperature superconductors are susceptible to other types of ordering. We used scanning tunneling microscopy and resonant elastic x-ray scattering measurements to establish the formation of charge ordering in the high-temperature superconductor Bi2Sr2CaCu2O8+x. Depending on the hole concentration, the charge ordering in this system occurs with the same period as those found in Y-based or La-based cuprates and displays the analogous competition with superconductivity. These results indicate the similarity of charge organization competing with superconductivity across different families of cuprates. We observed this charge ordering to leave a distinct electron-hole asymmetric signature (and a broad resonance centered at +20 milli-electron volts) in spectroscopic measurements, indicating that it is likely related to the organization of holes in a doped Mott insulator. C1 [da Silva Neto, Eduardo H.; Aynajian, Pegor; Gyenis, Andras; Yazdani, Ali] Princeton Univ, Joseph Henry Labs, Princeton, NJ 08544 USA. [da Silva Neto, Eduardo H.; Aynajian, Pegor; Gyenis, Andras; Yazdani, Ali] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Frano, Alex; Le Tacon, Mathieu] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany. [Frano, Alex; Schierle, Enrico; Weschke, Eugen] Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany. [Comin, Riccardo] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. [Wen, Jinsheng; Schneeloch, John; Xu, Zhijun; Gu, Genda] BNL, Upton, NY 11973 USA. [Schneeloch, John] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Ono, Shimpei] Cent Res Inst Elect Power Ind, Komae, Tokyo 2018511, Japan. RP Yazdani, A (reprint author), Princeton Univ, Joseph Henry Labs, Princeton, NJ 08544 USA. EM yazdani@princeton.edu RI Wen, Jinsheng/F-4209-2010; xu, zhijun/A-3264-2013; Le Tacon, Mathieu/D-8023-2011; Comin, Riccardo/H-7731-2016; Weschke, Eugen/J-4404-2013; Schierle, Enrico/J-4356-2013 OI Wen, Jinsheng/0000-0001-5864-1466; xu, zhijun/0000-0001-7486-2015; Le Tacon, Mathieu/0000-0002-5838-3724; Comin, Riccardo/0000-0002-1069-9973; Schneeloch, John/0000-0002-3577-9574; Weschke, Eugen/0000-0002-2141-0944; Schierle, Enrico/0000-0002-6981-2301 FU U.S. Department of Energy (DOE) Basic Energy Sciences; NSF-Materials Research and Engineering Center program through Princeton Center for Complex Materials [DMR-0819860]; Eric & Wendy Schmidt Transformative Fund; W. M. Keck Foundation; DOE [DE-AC02-98CH10886]; Max Planck-UBC Centre for Quantum Materials; Canadian Insititute for Advanced Research Quantum Materials; NSF [PHYS-1066293]; Center for Emergent Superconductivity, an Energy Frontier Research Center; [NSF-DMR1104612] FX The work at Princeton was primarily supported by a grant from the U.S. Department of Energy (DOE) Basic Energy Sciences. The instrumentation and infrastructure at the Princeton Nanoscale Microscopy Laboratory used for this work were also supported by grants from NSF-DMR1104612, the NSF-Materials Research and Engineering Center program through Princeton Center for Complex Materials (DMR-0819860), the Eric & Wendy Schmidt Transformative Fund, and the W. M. Keck Foundation. Work at BNL was supported by DOE under contract DE-AC02-98CH10886. The Max Planck-UBC Centre for Quantum Materials and Canadian Insititute for Advanced Research Quantum Materials also supported this work. We thank P. W. Anderson, E. Abrahams, S. Kivelson, S. Misra, and N. P. Ong for fruitful discussions. We also acknowledge A. Damascelli and B. Keimer for discussions and for sharing the results of their x-ray studies on Bi-2201 before publication. A.Y. acknowledges the hospitality of the Aspen Center for Physics, supported under NSF grant PHYS-1066293. The synthesis of the oxygen-doped Bi2212 samples was supported by the Center for Emergent Superconductivity, an Energy Frontier Research Center. NR 28 TC 193 Z9 193 U1 13 U2 122 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD JAN 24 PY 2014 VL 343 IS 6169 BP 393 EP 396 DI 10.1126/science.1243479 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 294IR UT WOS:000330039300041 PM 24356110 ER PT J AU Kuchenreuther, JM Myers, WK Suess, DLM Stich, TA Pelmenschikov, V Shiigi, SA Cramer, SP Swartz, JR Britt, RD George, SJ AF Kuchenreuther, Jon M. Myers, William K. Suess, Daniel L. M. Stich, Troy A. Pelmenschikov, Vladimir Shiigi, Stacey A. Cramer, Stephen P. Swartz, James R. Britt, R. David George, Simon J. TI The HydG Enzyme Generates an Fe(CO)(2)(CN) Synthon in Assembly of the FeFe Hydrogenase H-Cluster SO SCIENCE LA English DT Article ID CLOSTRIDIUM-PASTEURIANUM W5; ELECTRON-PARAMAGNETIC-RES; CARBON-MONOXIDE BINDING; MATURATION; IRON; ACTIVATION AB Three iron-sulfur proteins-HydE, HydF, and HydG-play a key role in the synthesis of the [2Fe](H) component of the catalytic H-cluster of FeFe hydrogenase. The radical S-adenosyl-L-methionine enzyme HydG lyses free tyrosine to produce p-cresol and the CO and CN- ligands of the [2Fe](H) cluster. Here, we applied stopped-flow Fourier transform infrared and electron-nuclear double resonance spectroscopies to probe the formation of HydG-bound Fe-containing species bearing CO and CN- ligands with spectroscopic signatures that evolve on the 1- to 1000-second time scale. Through study of the C-13, N-15, and Fe-57 isotopologs of these intermediates and products, we identify the final HydG-bound species as an organometallic Fe(CO)(2)(CN) synthon that is ultimately transferred to apohydrogenase to form the [2Fe](H) component of the H-cluster. C1 [Kuchenreuther, Jon M.; Myers, William K.; Suess, Daniel L. M.; Stich, Troy A.; Cramer, Stephen P.; Britt, R. David; George, Simon J.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Pelmenschikov, Vladimir] Tech Univ Berlin, Inst Chem, D-10623 Berlin, Germany. [Shiigi, Stacey A.; Swartz, James R.] Stanford Univ, Dept Bioengn, Stanford, CA 94305 USA. [Cramer, Stephen P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Swartz, James R.] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. RP Britt, RD (reprint author), Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. EM rdbritt@ucdavis.edu; sjgeorge@ucdavis.edu FU NIH [GM072623, GM65440]; Division of Material Sciences and Engineering of the Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) [DE-FG02-09ER46632]; Office of Biological and Environmental Research of the DOE; UniCat Cluster of Excellence of the German Research Council FX This work was funded by the NIH (R.D.B., no GM072623; S.P.C., no. GM65440) and by the Division of Material Sciences and Engineering (J.R.S., award no. DE-FG02-09ER46632) of the Office of Basic Energy Sciences of the U.S. Department of Energy (DOE), by the Office of Biological and Environmental Research of the DOE (S.P.C.), and the UniCat Cluster of Excellence of the German Research Council (V.P.). NR 26 TC 44 Z9 44 U1 6 U2 96 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD JAN 24 PY 2014 VL 343 IS 6169 BP 424 EP 427 DI 10.1126/science.1246572 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 294IR UT WOS:000330039300051 PM 24458644 ER PT J AU McLennan, SM Anderson, RB Bell, JF Bridges, JC Calef, F Campbell, JL Clark, BC Clegg, S Conrad, P Cousin, A Des Marais, DJ Dromart, G Dyar, MD Edgar, LA Ehlmann, BL Fabre, C Forni, O Gasnault, O Gellert, R Gordon, S Grant, JA Grotzinger, JP Gupta, S Herkenhoff, KE Hurowitz, JA King, PL Le Mouelic, S Leshin, LA Leveille, R Lewis, KW Mangold, N Maurice, S Ming, DW Morris, RV Nachon, M Newsom, HE Ollila, AM Perrett, GM Rice, MS Schmidt, ME Schwenzer, SP Stack, K Stolper, EM Sumner, DY Treiman, AH VanBommel, S Vaniman, DT Vasavada, A Wiens, RC Yingst, RA AF McLennan, S. M. Anderson, R. B. Bell, J. F., III Bridges, J. C. Calef, F., III Campbell, J. L. Clark, B. C. Clegg, S. Conrad, P. Cousin, A. Des Marais, D. J. Dromart, G. Dyar, M. D. Edgar, L. A. Ehlmann, B. L. Fabre, C. Forni, O. Gasnault, O. Gellert, R. Gordon, S. Grant, J. A. Grotzinger, J. P. Gupta, S. Herkenhoff, K. E. Hurowitz, J. A. King, P. L. Le Mouelic, S. Leshin, L. A. Leveille, R. Lewis, K. W. Mangold, N. Maurice, S. Ming, D. W. Morris, R. V. Nachon, M. Newsom, H. E. Ollila, A. M. Perrett, G. M. Rice, M. S. Schmidt, M. E. Schwenzer, S. P. Stack, K. Stolper, E. M. Sumner, D. Y. Treiman, A. H. VanBommel, S. Vaniman, D. T. Vasavada, A. Wiens, R. C. Yingst, R. A. CA MSL Sci Team TI Elemental Geochemistry of Sedimentary Rocks at Yellowknife Bay, Gale Crater, Mars SO SCIENCE LA English DT Article ID CHEMCAM INSTRUMENT SUITE; CLAY MINERAL FORMATION; MERIDIANI-PLANUM; SILICICLASTIC SEDIMENTS; MASS-BALANCE; CANADA; PROVENANCE; PETROGENESIS; CHEMISTRY; PROFILES AB Sedimentary rocks examined by the Curiosity rover at Yellowknife Bay, Mars, were derived from sources that evolved from an approximately average martian crustal composition to one influenced by alkaline basalts. No evidence of chemical weathering is preserved, indicating arid, possibly cold, paleoclimates and rapid erosion and deposition. The absence of predicted geochemical variations indicates that magnetite and phyllosilicates formed by diagenesis under low-temperature, circumneutral pH, rock-dominated aqueous conditions. Analyses of diagenetic features (including concretions, raised ridges, and fractures) at high spatial resolution indicate that they are composed of iron-and halogen-rich components, magnesium-iron-chlorine-rich components, and hydrated calcium sulfates, respectively. Composition of a cross-cutting dike-like feature is consistent with sedimentary intrusion. The geochemistry of these sedimentary rocks provides further evidence for diverse depositional and diagenetic sedimentary environments during the early history of Mars. C1 [McLennan, S. M.; Hurowitz, J. A.] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. [Anderson, R. B.; Herkenhoff, K. E.] US Geol Survey, Astrogeol Sci Ctr, Flagstaff, AZ 86001 USA. [Bell, J. F., III; Edgar, L. A.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. [Bridges, J. C.] Univ Leicester, Dept Phys & Astron, Space Res Ctr, Leicester LE1 7RH, Leics, England. [Calef, F., III; Ehlmann, B. L.; Vasavada, A.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Campbell, J. L.; Gellert, R.; Perrett, G. M.; VanBommel, S.] Univ Guelph, Dept Phys, Guelph, ON N1G 2W1, Canada. [Clark, B. C.] Space Sci Inst, Boulder, CO 80301 USA. [Clegg, S.; Cousin, A.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Conrad, P.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Des Marais, D. J.] NASA, Ames Res Ctr, Dept Space Sci, Moffett Field, CA 94035 USA. [Dromart, G.] Univ Lyon, Lab Geol Lyon, F-69364 Lyon, France. [Dyar, M. D.] Mt Holyoke Coll, Dept Astron, S Hadley, MA 01075 USA. [Ehlmann, B. L.; Grotzinger, J. P.; Rice, M. S.; Stack, K.; Stolper, E. M.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. [Fabre, C.] Fac Sci, CNRS Georesources, UMR 7359, F-54506 Vandoeuvre Les Nancy, France. [Forni, O.; Gasnault, O.] Univ Toulouse, IRAP, UPS OMP CNRS, F-31028 Toulouse 4, France. [Gordon, S.; Newsom, H. E.; Ollila, A. M.] Univ New Mexico, Inst Meteorit, Albuquerque, NM 87131 USA. [Grant, J. A.] Smithsonian Inst, Natl Air & Space Museum, Ctr Earth & Planetary Sci, Washington, DC 20560 USA. [Gupta, S.] Univ London Imperial Coll Sci Technol & Med, Dept Earth Sci & Engn, London SW7 2AZ, England. [King, P. L.] Australian Natl Univ, Res Sch Earth Sci, Canberra, ACT 0200, Australia. [Le Mouelic, S.; Mangold, N.; Nachon, M.] LPGN CNRS UMR 6112, Lab Planetol & Geodynam, F-4432 Nantes, France. [Le Mouelic, S.; Mangold, N.; Nachon, M.] Univ Nantes, F-4432 Nantes, France. [Leshin, L. A.] Rensselaer Polytech Inst, Sch Sci, Troy, NY 12180 USA. [Leveille, R.] Canadian Space Agcy, St Hubert, PQ J3Y 8Y9, Canada. [Lewis, K. W.] Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. [Maurice, S.] Observ Midi Pyrenees, F-31400 Toulouse, France. [Ming, D. W.; Morris, R. V.] NASA, Lyndon B Johnson Space Ctr, Houston, TX 77058 USA. [Schmidt, M. E.] Brock Univ, Dept Earth Sci, St Catharines, ON L2S 3A1, Canada. [Schwenzer, S. P.] Open Univ, CEPSAR, Milton Keynes MK7 6AA, Bucks, England. [Sumner, D. Y.] Univ Calif Davis, Dept Earth & Planetary Sci, Davis, CA 95616 USA. [Treiman, A. H.] Lunar Planetary Sci Inst, Houston, TX 77058 USA. [Vaniman, D. T.; Yingst, R. A.] Planetary Sci Inst, Tucson, AZ 85719 USA. [Wiens, R. C.] Los Alamos Natl Lab, Int Space & Response Div, Los Alamos, NM 87545 USA. RP McLennan, SM (reprint author), SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. EM scott.mclennan@stonybrook.edu RI szopa, cyril/C-6865-2015; Martin-Torres, Francisco Javier/G-6329-2015; King, Penelope/A-1791-2011; Harri, Ari-Matti/C-7142-2012; Glavin, Daniel/D-6194-2012; Zorzano, Maria-Paz/F-2184-2015; Dworkin, Jason/C-9417-2012; Frydenvang, Jens/D-4781-2013; Gonzalez, Rafael/D-1748-2009; Balic-Zunic, Tonci/A-6362-2013; Lemmon, Mark/E-9983-2010; de Pablo, Miguel Angel/J-6442-2014; Gomez-Elvira, Javier/K-5829-2014; Ramos, Miguel/K-2230-2014; Gomez, Felipe/L-7315-2014; Rodriguez-Manfredi, Jose/L-8001-2014; Hayes, Alexander/P-2024-2014; Zorzano, Maria-Paz/C-5784-2015 OI Schwenzer, Susanne Petra/0000-0002-9608-0759; Clegg, Sam/0000-0002-0338-0948; Muller, Jan-Peter/0000-0002-5077-3736; szopa, cyril/0000-0002-0090-4056; Martin-Torres, Francisco Javier/0000-0001-6479-2236; King, Penelope/0000-0002-8364-9168; Harri, Ari-Matti/0000-0001-8541-2802; Glavin, Daniel/0000-0001-7779-7765; Zorzano, Maria-Paz/0000-0002-4492-9650; Dworkin, Jason/0000-0002-3961-8997; Frydenvang, Jens/0000-0001-9294-1227; Balic-Zunic, Tonci/0000-0003-1687-1233; Lemmon, Mark/0000-0002-4504-5136; de Pablo, Miguel Angel/0000-0002-4496-2741; Gomez-Elvira, Javier/0000-0002-9068-9846; Ramos, Miguel/0000-0003-3648-6818; Gomez, Felipe/0000-0001-9977-7060; Rodriguez-Manfredi, Jose/0000-0003-0461-9815; Hayes, Alexander/0000-0001-6397-2630; Zorzano, Maria-Paz/0000-0002-4492-9650 FU French Space Agency; NASA; CNES; Canadian Space Agency; NSERC (Canada); United Kingdom Space Agency (UK) FX Much of this research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. Development and operation of the ChemCam and APXS instruments were also supported by funds from the French Space Agency, CNES, and the Canadian Space Agency. Organizations supporting research include NASA, the Canadian Space Agency, NSERC (Canada), and the United Kingdom Space Agency (UK). Chemical data presented here are derived from archived data sets in the NASA Planetary Data System (PDS), http://pds-geosciences.wustl.edu/missions/msl. We are grateful to the MSL engineering and management teams for making the mission and this scientific investigation possible and to science team members who contributed to mission operations. S. M. M. thanks Lamont-Doherty Earth Observatory of Columbia University, and especially S. Hemming, for hospitality during a sabbatical when the manuscript was being prepared. NR 62 TC 105 Z9 106 U1 12 U2 158 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD JAN 24 PY 2014 VL 343 IS 6169 AR 1244734 DI 10.1126/science.1244734 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 294IR UT WOS:000330039300004 PM 24324274 ER PT J AU Grotzinger, JP Sumner, DY Kah, LC Stack, K Gupta, S Edgar, L Rubin, D Lewis, K Schieber, J Mangold, N Milliken, R Conrad, PG DesMarais, D Farmer, J Siebach, K Calef, F Hurowitz, J McLennan, SM Ming, D Vaniman, D Crisp, J Vasavada, A Edgett, KS Malin, M Blake, D Gellert, R Mahaffy, P Wiens, RC Maurice, S Grant, JA Wilson, S Anderson, RC Beegle, L Arvidson, R Hallet, B Sletten, RS Rice, M Bell, J Griffes, J Ehlmann, B Anderson, RB Bristow, TF Dietrich, WE Dromart, G Eigenbrode, J Fraeman, A Hardgrove, C Herkenhoff, K Jandura, L Kocurek, G Lee, S Leshin, LA Leveille, R Limonadi, D Maki, J McCloskey, S Meyer, M Minitti, M Newsom, H Oehler, D Okon, A Palucis, M Parker, T Rowland, S Schmidt, M Squyres, S Steele, A Stolper, E Summons, R Treiman, A Williams, R Yingst, A AF Grotzinger, J. P. Sumner, D. Y. Kah, L. C. Stack, K. Gupta, S. Edgar, L. Rubin, D. Lewis, K. Schieber, J. Mangold, N. Milliken, R. Conrad, P. G. DesMarais, D. Farmer, J. Siebach, K. Calef, F., III Hurowitz, J. McLennan, S. M. Ming, D. Vaniman, D. Crisp, J. Vasavada, A. Edgett, K. S. Malin, M. Blake, D. Gellert, R. Mahaffy, P. Wiens, R. C. Maurice, S. Grant, J. A. Wilson, S. Anderson, R. C. Beegle, L. Arvidson, R. Hallet, B. Sletten, R. S. Rice, M. Bell, J., III Griffes, J. Ehlmann, B. Anderson, R. B. Bristow, T. F. Dietrich, W. E. Dromart, G. Eigenbrode, J. Fraeman, A. Hardgrove, C. Herkenhoff, K. Jandura, L. Kocurek, G. Lee, S. Leshin, L. A. Leveille, R. Limonadi, D. Maki, J. McCloskey, S. Meyer, M. Minitti, M. Newsom, H. Oehler, D. Okon, A. Palucis, M. Parker, T. Rowland, S. Schmidt, M. Squyres, S. Steele, A. Stolper, E. Summons, R. Treiman, A. Williams, R. Yingst, A. CA MSL Sci Team TI A Habitable Fluvio-Lacustrine Environment at Yellowknife Bay, Gale Crater, Mars SO SCIENCE LA English DT Article ID LOW WATER ACTIVITY; MERIDIANI-PLANUM; SEDIMENTARY-ROCKS; LIFE; BASIN; HYDROGEN; DEPOSITS; ORIGIN; LACUSTRINE; SHRINKAGE AB The Curiosity rover discovered fine-grained sedimentary rocks, which are inferred to represent an ancient lake and preserve evidence of an environment that would have been suited to support a martian biosphere founded on chemolithoautotrophy. This aqueous environment was characterized by neutral pH, low salinity, and variable redox states of both iron and sulfur species. Carbon, hydrogen, oxygen, sulfur, nitrogen, and phosphorus were measured directly as key biogenic elements; by inference, phosphorus is assumed to have been available. The environment probably had a minimum duration of hundreds to tens of thousands of years. These results highlight the biological viability of fluvial-lacustrine environments in the post-Noachian history of Mars. C1 [Grotzinger, J. P.; Stack, K.; Siebach, K.; Rice, M.; Griffes, J.; Ehlmann, B.; Stolper, E.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. [Sumner, D. Y.] Univ Calif Davis, Dept Earth & Planetary Sci, Davis, CA 95616 USA. [Kah, L. C.] Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN 37996 USA. [Gupta, S.] Univ London Imperial Coll Sci Technol & Med, Dept Earth Sci & Engn, London SW7 2AZ, England. [Edgar, L.; Farmer, J.; Bell, J., III; Minitti, M.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. [Rubin, D.] US Geol Survey, Santa Cruz, CA 95060 USA. [Lewis, K.] Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. [Schieber, J.] Indiana Univ, Dept Geol Sci, Bloomington, IN 47405 USA. [Mangold, N.] LPGN CNRS UMR6112, LPGN, F-44322 Nantes, France. [Mangold, N.] Univ Nantes, F-44322 Nantes, France. [Milliken, R.] Brown Univ, Dept Geol Sci, Providence, RI 02912 USA. [Conrad, P. G.; Mahaffy, P.; Eigenbrode, J.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [DesMarais, D.; Blake, D.; Bristow, T. F.] NASA, Ames Res Ctr, Dept Space Sci, Moffett Field, CA 94035 USA. [Calef, F., III; Crisp, J.; Vasavada, A.; Anderson, R. C.; Beegle, L.; Ehlmann, B.; Jandura, L.; Lee, S.; Limonadi, D.; Maki, J.; McCloskey, S.; Okon, A.; Parker, T.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Hurowitz, J.; McLennan, S. M.] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. [Ming, D.; Oehler, D.] NASA, Lyndon B Johnson Space Ctr, Jacobs Technol, Houston, TX 77058 USA. [Vaniman, D.; Williams, R.; Yingst, A.] Planetary Sci Inst, Tucson, AZ 85719 USA. [Edgett, K. S.; Malin, M.; Hardgrove, C.] Malin Space Sci Syst, San Diego, CA 92121 USA. [Gellert, R.] Univ Guelph, Dept Phys, Guelph, ON N1G 2W1, Canada. [Wiens, R. C.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Maurice, S.] Univ Toulouse, CNRS, IRAP, F-31400 Toulouse, France. [Grant, J. A.; Wilson, S.] Smithsonian Inst, Natl Air & Space Museum, Ctr Earth & Planetary Studies, Washington, DC 20560 USA. [Arvidson, R.; Fraeman, A.] Washington Univ, Dept Earth & Planetary Sci, St Louis, MO 63130 USA. [Hallet, B.; Sletten, R. S.] Univ Washington, Dept Earth & Space Sci, Seattle, WA 98195 USA. [Anderson, R. B.; Herkenhoff, K.] US Geol Survey, Flagstaff, AZ 86001 USA. [Dietrich, W. E.; Palucis, M.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Dromart, G.] Univ Lyon, Lab Geol Lyon, F-69364 Lyon, France. [Kocurek, G.] Univ Texas Austin, Dept Geol Sci, Austin, TX 78712 USA. [Leshin, L. A.] Rensselaer Polytech Inst, Sch Sci, Troy, NY 12180 USA. [Leveille, R.] Canadian Space Agcy, St Hubert, PQ J3Y 8Y9, Canada. [Meyer, M.] NASA Headquarters, Washington, DC 20546 USA. [Newsom, H.] Univ New Mexico, Inst Meteorit, Albuquerque, NM 87131 USA. [Rowland, S.] Univ Hawaii Manoa, Dept Geol & Geophys, Honolulu, HI 96822 USA. [Schmidt, M.] Brock Univ, Dept Earth Sci, St Catharines, ON L2S 3A1, Canada. [Squyres, S.] Cornell Univ, Dept Astron, Ithaca, NY 14853 USA. [Steele, A.] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. [Summons, R.] MIT, Dept Earth & Planetary Sci, Cambridge, MA 02139 USA. [Treiman, A.] Lunar & Planetary Inst, Houston, TX 77058 USA. RP Grotzinger, JP (reprint author), CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. EM grotz@gps.caltech.edu RI Crisp, Joy/H-8287-2016; Gomez, Felipe/L-7315-2014; Rodriguez-Manfredi, Jose/L-8001-2014; Harri, Ari-Matti/C-7142-2012; Gonzalez, Rafael/D-1748-2009; szopa, cyril/C-6865-2015; Hayes, Alexander/P-2024-2014; Frydenvang, Jens/D-4781-2013; Gomez-Elvira, Javier/K-5829-2014; de Pablo, Miguel Angel/J-6442-2014; Martin-Torres, Francisco Javier/G-6329-2015; Zorzano, Maria-Paz/C-5784-2015; Ramos, Miguel/K-2230-2014; Lemmon, Mark/E-9983-2010; Glavin, Daniel/D-6194-2012; Balic-Zunic, Tonci/A-6362-2013; Zorzano, Maria-Paz/F-2184-2015; Dworkin, Jason/C-9417-2012; OI Crisp, Joy/0000-0002-3202-4416; Gomez, Felipe/0000-0001-9977-7060; Rodriguez-Manfredi, Jose/0000-0003-0461-9815; Harri, Ari-Matti/0000-0001-8541-2802; szopa, cyril/0000-0002-0090-4056; Hayes, Alexander/0000-0001-6397-2630; Frydenvang, Jens/0000-0001-9294-1227; Gomez-Elvira, Javier/0000-0002-9068-9846; de Pablo, Miguel Angel/0000-0002-4496-2741; Martin-Torres, Francisco Javier/0000-0001-6479-2236; Zorzano, Maria-Paz/0000-0002-4492-9650; Ramos, Miguel/0000-0003-3648-6818; Lemmon, Mark/0000-0002-4504-5136; Glavin, Daniel/0000-0001-7779-7765; Balic-Zunic, Tonci/0000-0003-1687-1233; Zorzano, Maria-Paz/0000-0002-4492-9650; Dworkin, Jason/0000-0002-3961-8997; Siebach, Kirsten/0000-0002-6628-6297; Edgett, Kenneth/0000-0001-7197-5751 FU NASA FX We are indebted to the MSL Project engineering and management teams for their exceptionally skilled and diligent efforts in making the mission as effective as possible and enhancing science operations. We are also grateful to all those MSL Science Team members who participated in tactical and strategic operations. Without the support of both the engineering and science teams, the data presented here could not have been collected. Some of this research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with NASA. Data presented in this paper are archived in the Planetary Data System (pds.nasa.gov). NR 90 TC 165 Z9 169 U1 11 U2 34 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD JAN 24 PY 2014 VL 343 IS 6169 AR 1242777 DI 10.1126/science.1242777 PG 14 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 294IR UT WOS:000330039300002 PM 24458635 ER PT J AU Fischer, W Baltz, AJ Blaskiewicz, M Gassner, D Drees, KA Luo, Y Minty, M Thieberger, P Wilinski, M Pshenichnov, IA AF Fischer, W. Baltz, A. J. Blaskiewicz, M. Gassner, D. Drees, K. A. Luo, Y. Minty, M. Thieberger, P. Wilinski, M. Pshenichnov, I. A. TI Measurement of the total cross section of uranium-uranium collisions at root(NN)-N-S=192.8 GeV SO PHYSICAL REVIEW C LA English DT Article ID HEAVY-ION COLLIDERS; EXCITATION; ENERGY; LHC AB Heavy ion cross sections totaling several hundred barns have been calculated previously for the Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC). These total cross sections are more than an order of magnitude larger than the geometric ion-ion cross sections primarily due to bound-free pair production (BFPP) and electromagnetic dissociation (EMD). Apart from a general interest in verifying the calculations experimentally, an accurate prediction of the losses created in the heavy ion collisions is of practical interest for the LHC, where some collision products are lost in cryogenically cooled magnets and have the potential to quench these magnets. In the 2012 RHIC run uranium ions collided with each other at root(NN)-N-S = 192.8 GeV with nearly all beam losses due to collisions. This allows for the measurement of the total cross section, which agrees with the calculated cross section within the experimental error. C1 [Fischer, W.; Baltz, A. J.; Blaskiewicz, M.; Gassner, D.; Drees, K. A.; Luo, Y.; Minty, M.; Thieberger, P.; Wilinski, M.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Pshenichnov, I. A.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. RP Fischer, W (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM Wolfram.Fischer@bnl.gov RI Pshenichnov, Igor/A-4063-2008 OI Pshenichnov, Igor/0000-0003-1752-4524 FU Brookhaven Science Associates, LLC [DE-AC02-98CH10886]; US Department of Energy FX The authors are thankful to J. Bergoz, S. Binello, R. Bruce, W. Christie, T. Hayes, X. He, M. Mapes, A. Marusic, K. Smith, and J. Jowett for discussions and support. Work was supported by Brookhaven Science Associates, LLC, under Contract No. DE-AC02-98CH10886 with the US Department of Energy. NR 45 TC 4 Z9 4 U1 3 U2 5 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 JAN 23 PY 2014 VL 89 IS 1 AR 014906 DI 10.1103/PhysRevC.89.014906 PG 11 WC Physics, Nuclear SC Physics GA AC0AM UT WOS:000332157000003 ER PT J AU Hahn, SE Podlesnyak, AA Ehlers, G Granroth, GE Fishman, RS Kolesnikov, AI Pomjakushina, E Conder, K AF Hahn, S. E. Podlesnyak, A. A. Ehlers, G. Granroth, G. E. Fishman, R. S. Kolesnikov, A. I. Pomjakushina, E. Conder, K. TI Inelastic neutron scattering studies of YFeO3 SO PHYSICAL REVIEW B LA English DT Article ID RARE-EARTH ORTHOFERRITES; WEAK FERROMAGNETISM; SPIN-WAVES; EXCITATIONS; FERRITE; TBFEO3 AB Spin waves in the rare-earth orthorferrite YFeO3 have been studied by inelastic neutron scattering and analyzed with a full four-sublattice model including contributions from both the weak ferromagnetic and antiferromagnetic orders. Antiferromagnetic exchange interactions of J(1) = -4.23 +/- 0.08 (nearest neighbors only) or J(1) = -4.77 +/- 0.08 meV and J(2) = -0.21 +/- 0.04 meV lead to excellent fits for most branches at both low and high energies. An additional branch associated with the weak antiferromagnetic order was observed. This work paves the way for studies of other materials in this class containing spin reorientation transitions and magnetic rare-earth ions. C1 [Hahn, S. E.; Podlesnyak, A. A.; Ehlers, G.; Granroth, G. E.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Fishman, R. S.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Kolesnikov, A. I.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Pomjakushina, E.; Conder, K.] Paul Scherrer Inst, Lab Dev & Methods, CH-5232 Villigen, Switzerland. RP Hahn, SE (reprint author), Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RI Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Granroth, Garrett/G-3576-2012; Kolesnikov, Alexander/I-9015-2012; Podlesnyak, Andrey/A-5593-2013; OI Ehlers, Georg/0000-0003-3513-508X; Granroth, Garrett/0000-0002-7583-8778; Kolesnikov, Alexander/0000-0003-1940-4649; Podlesnyak, Andrey/0000-0001-9366-6319; Hahn, Steven/0000-0002-2018-7904 FU Laboratory's Director's fund, Oak Ridge National Laboratory; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX We would like to acknowledge helpful conversations with Jason Haraldsen. S.E.H. and R.S.F. acknowledge support by the Laboratory's Director's fund, Oak Ridge National Laboratory. Research at Oak Ridge National Laboratory's Spallation Neutron Source was supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 26 TC 11 Z9 11 U1 5 U2 51 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 JAN 23 PY 2014 VL 89 IS 1 AR 014420 DI 10.1103/PhysRevB.89.014420 PG 6 WC Physics, Condensed Matter SC Physics GA AC1BZ UT WOS:000332230500001 ER PT J AU Lin, SZ Batista, CD Saxena, A AF Lin, Shi-Zeng Batista, Cristian D. Saxena, Avadh TI Internal modes of a skyrmion in the ferromagnetic state of chiral magnets SO PHYSICAL REVIEW B LA English DT Article ID STATISTICAL-MECHANICS; CRYSTALS; LATTICE; MOTION AB Aspin texture called skyrmion has been recently observed in certain chiral magnets without inversion symmetry. The observed skyrmions are extended objects with typical linear sizes of 10 to 100 nm that contain 103 to 105 spins and can be deformed in response to external perturbations. Weak deformations are characterized by internal modes, which are localized around the skyrmion center. Knowledge of internal modes is crucial to assess the stability and rigidity of these topological textures. Here, we compute the internal modes of a skyrmion in a ferromagnetic background state by numerical diagonalization of the dynamical matrix. We find several internal modes below the magnon continuum, such as the mode corresponding to the translational motion and different kinds of breathing modes. The number of internal modes is larger for lower magnetic fields. Indeed, several modes become gapless in the low-field region indicating that the single skyrmion solution becomes unstable, although a skyrmion lattice remains thermodynamically stable. On the other hand, only three internal modes exist at high fields and the skyrmion texture remains locally stable even when the ferromagnetic state becomes thermodynamically stable. We also show that the presence of out-of-plane easy-axis anisotropy stabilizes the single skyrmion solution. Finally, we discuss the effects of damping and possible experimental observations of these internal modes. C1 [Lin, Shi-Zeng; 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 US Department of Energy FX We thank Lev N. Bulaevskii, Charles Reichhardt, Yasuyuki Kato, Yoshitomo Kamiya, and Oleg Tchernyshyov for useful discussions. This work was supported by the US Department of Energy. NR 39 TC 23 Z9 24 U1 1 U2 31 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 JAN 23 PY 2014 VL 89 IS 2 AR 024415 DI 10.1103/PhysRevB.89.024415 PG 7 WC Physics, Condensed Matter SC Physics GA AC1CI UT WOS:000332231400001 ER PT J AU Reid, JP Tanatar, MA Daou, R Hu, RW Petrovic, C Taillefer, L AF Reid, J. -Ph. Tanatar, M. A. Daou, R. Hu, Rongwei Petrovic, C. Taillefer, Louis TI Wiedemann-Franz law and nonvanishing temperature scale across the field-tuned quantum critical point of YbRh2Si2 SO PHYSICAL REVIEW B LA English DT Article ID PHASE-TRANSITION; SUPERCONDUCTIVITY; METALS AB The in-plane thermal conductivity kappa and electrical resistivity rho of the heavy-fermion metal YbRh2Si2 were measured down to 50 mK for magnetic fields H parallel and perpendicular to the tetragonal c axis, through the field-tuned quantum critical point H-c, at which antiferromagnetic order ends. The thermal and electrical resistivities, w L0T/kappa and rho, show a linear temperature dependence below 1 K, typical of the non-Fermi-liquid behavior found near antiferromagnetic quantum critical points, but this dependence does not persist down to T = 0. Below a characteristic temperature T-star similar or equal to 0.35 K, which depends weakly on H, w(T) and rho(T) both deviate downward and converge as T -> 0. We propose that T-star marks the onset of short-range magnetic correlations, persisting beyond H-c. By comparing samples of different purity, we conclude that the Wiedemann-Franz law holds in YbRh2Si2, even at H-c, implying that no fundamental breakdown of quasiparticle behavior occurs in this material. The overall phenomenology of heat and charge transport in YbRh2Si2 is similar to that observed in the heavy-fermion metal CeCoIn5, near its own field-tuned quantum critical point. C1 [Reid, J. -Ph.; Tanatar, M. A.; Daou, R.; Taillefer, Louis] Univ Sherbrooke, Dept Phys, Sherbrooke, PQ J1K 2R1, Canada. [Reid, J. -Ph.; Tanatar, M. A.; Daou, R.; Taillefer, Louis] Univ Sherbrooke, RQMP, Sherbrooke, PQ J1K 2R1, Canada. [Tanatar, M. A.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Tanatar, M. A.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Hu, Rongwei; Petrovic, C.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Petrovic, C.; Taillefer, Louis] Canadian Inst Adv Res, Toronto, ON M5G 1Z8, Canada. RP Reid, JP (reprint author), Univ St Andrews, Sch Phys & Astron, St Andrews KY16 9SS, Fife, Scotland. EM Louis.Taillefer@USherbrooke.ca RI Petrovic, Cedomir/A-8789-2009 OI Petrovic, Cedomir/0000-0001-6063-1881 FU Canadian Institute for Advanced Research; Canada Research Chair; NSERC; FQRNT; CFI; US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-07CH11358] FX We thank K. Behnia, J.-P. Brison, P. Coleman, J. Custers, J. Flouquet, P. Gegenwart, S. Hartnoll, R. W. Hill, S. R. Julian, J. Paglione, F. Ronning, T. Senthil, and F. Steglich for insightful discussions, and J. Corbin for his assistance with the experiments. The work at Sherbrooke was supported by the Canadian Institute for Advanced Research and a Canada Research Chair and it was funded by NSERC, FQRNT, and CFI. Part of the work was carried out at the Brookhaven National Laboratory, which is operated for the US Department of Energy by Brookhaven Science Associates (DE-Ac02-98CH10886) and in the Ames Laboratory, supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Contract No. DE-AC02-07CH11358. NR 36 TC 8 Z9 8 U1 2 U2 17 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 JAN 23 PY 2014 VL 89 IS 4 AR 045130 DI 10.1103/PhysRevB.89.045130 PG 8 WC Physics, Condensed Matter SC Physics GA AC1DH UT WOS:000332233900003 ER EF