FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Battistoni, M Som, S Longman, DE AF Battistoni, Michele Som, Sibendu Longman, Douglas E. TI Comparison of Mixture and Multifluid Models for In-Nozzle Cavitation Prediction SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article ID DIESEL INJECTOR NOZZLES; AREA TRANSPORT-EQUATION; RELAXATION MODEL; FLOW AB Fuel injectors often feature cavitation because of large pressure gradients, which in some regions lead to extremely low pressures. The main objective of this work is to compare the prediction capabilities of two multiphase flow approaches for modeling cavitation in small nozzles, like those used in high-pressure diesel or gasoline fuel injectors. Numerical results are assessed against quantitative high resolution experimental data collected at Argonne National Laboratory using synchrotron X-ray radiography of a model nozzle. One numerical approach uses a homogeneous mixture model with the volume of fluid (VOF) method, in which phase change is modeled via the homogeneous relaxation model (HRM). The second approach is based on the multifluid nonhomogeneous model and uses the Rayleigh bubble-dynamics model to account for cavitation. Both models include three components, i.e., liquid, vapor, and air, and the flow is compressible. Quantitatively, the amount of void predicted by the multifluid model is in good agreement with measurements, while the mixture model overpredicts the values. Qualitatively, void regions look similar and compare well with the experimental measurements. Grid converged results have been achieved for the prediction of mass flow rate while grid-convergence for void fraction is still an open point. Simulation results indicate that most of the vapor is produced at the nozzle entrance. In addition, downstream along the centerline, void due to expansion of noncondensable gases has been identified. The paper also includes a discussion about the effect of turbulent pressure fluctuations on cavitation inception. C1 [Battistoni, Michele] Univ Perugia, Dept Ind Engn, I-06125 Perugia, Italy. [Battistoni, Michele; Som, Sibendu; Longman, Douglas E.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Battistoni, M (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM michele.battistoni@unipg.it; ssom@anl.gov; dlongman@anl.gov RI Battistoni, Michele/M-9194-2014 OI Battistoni, Michele/0000-0001-6807-9657 FU Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; DOE's Office of Vehicle Technologies, Office of Energy Efficiency and Renewable Energy [DE-AC02-06CH11357] FX The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. This research was funded by DOE's Office of Vehicle Technologies{FundingSource}, Office of Energy Efficiency and Renewable Energy{FundingSource} under Contract No. DE-AC02-06CH11357{FundingContract}. The authors wish to thank Gurpreet Singh, program manager at DOE, for his support. NR 42 TC 3 Z9 3 U1 1 U2 16 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0742-4795 EI 1528-8919 J9 J ENG GAS TURB POWER JI J. Eng. Gas. Turbines Power-Trans. ASME PD JUN PY 2014 VL 136 IS 6 AR 061506 DI 10.1115/1.4026369 PG 12 WC Engineering, Mechanical SC Engineering GA AJ8FZ UT WOS:000337939500007 ER PT J AU Lukawski, MZ Anderson, BJ Augustine, C Capuano, LE Beckers, KF Livesay, B Tester, JW AF Lukawski, Maciej Z. Anderson, Brian J. Augustine, Chad Capuano, Louis E., Jr. Beckers, Koenraad F. Livesay, Bill Tester, Jefferson W. TI Cost analysis of oil, gas, and geothermal well drilling SO JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING LA English DT Review DE drilling cost; well cost; geothermal; economic; cost index; learning; average well AB This paper evaluates current and historical drilling and completion costs of oil and gas wells and compares them with geothermal wells costs. As a starting point, we developed a new cost index for US onshore oil and gas wells based primarily on the API Joint Association Survey 1976-2009 data. This index describes year-to-year variations in drilling costs and allows one to express historical drilling expenditures in current year dollars. To distinguish from other cost indices we have labeled it the Cornell Energy Institute (CEI) Index. This index has nine sub-indices for different well depth intervals and has been corrected for yearly changes in drilling activity. The CEI index shows 70% higher increase in well cost between 2003 and 2008 compared to the commonly used Producer Price Index (PPI) for drilling oil and gas wells. Cost trends for various depths were found to be significantly different and explained in terms of variations of oil and gas prices, costs, and availability of major well components and services at particular locations. Multiple methods were evaluated to infer the cost-depth correlation for geothermal wells in current year dollars. In addition to analyzing reported costs of the most recently completed geothermal wells, we investigated the results of the predictive geothermal well cost model WellCost Lite. Moreover, a cost database of 146 historical geothermal wells has been assembled. The CEI index was initially used to normalize costs of these wells to current year dollars. A comparison of normalized costs of historical wells with recently drilled ones and WellCost Lite predictions shows that cost escalation rates of geothermal wells were considerably lower compared to hydrocarbon wells and that a cost index based on hydrocarbon wells is not applicable to geothermal well drilling. Besides evaluating the average well costs, this work examined economic improvements resulting from increased drilling experience. Learning curve effects related to drilling multiple similar wells within the same field were correlated. (c) 2014 Elsevier B.V. All rights reserved. C1 [Lukawski, Maciej Z.; Beckers, Koenraad F.] Cornell Univ, Sch Chem & Biomol Engn, Ithaca, NY 14853 USA. [Anderson, Brian J.] W Virginia Univ, Dept Chem Engn, Morgantown, WV 26506 USA. [Augustine, Chad] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Capuano, Louis E., Jr.] Capuano Engn Consultants, Santa Rosa, CA 95404 USA. [Livesay, Bill] Livesay Consultants, Encinitas, CA 92024 USA. [Tester, Jefferson W.] Cornell Univ, Sch Chem & Biomol Engn, Cornell Energy Inst, Ithaca, NY 14853 USA. [Tester, Jefferson W.] Cornell Univ, Atkinson Ctr Sustainable Future, Ithaca, NY 14853 USA. RP Tester, JW (reprint author), Cornell Univ, Sch Chem & Biomol Engn, Cornell Energy Inst, Ithaca, NY 14853 USA. EM mzl8@cornell.edu; brian.anderson@mail.wvu.edu; chad.augustine@nrel.gov; LCapuano@capuanoengineering.com; kb447@cornell.edu; jwt54@cornell.edu FU U.S. Department of Energy [0-051-ARRA-CU]; Well Data and Meta-Data to the National Geothermal Data System Based on a Reusable Framework for Geothermal Data Integration and Quality Assurance [G001011-7520] FX The authors are graciously thankful for the support provided by the U.S. Department of Energy in the form of grants 'Analysis of Low-Temperature Utilization of Geothermal Resources' (No. 10-051-ARRA-CU) and 'Geothermal Data Aggregation: Submission of Heat Flow, Well Data and Meta-Data to the National Geothermal Data System Based on a Reusable Framework for Geothermal Data Integration and Quality Assurance' (No. G001011-7520). We would also like to express our great appreciation to the researchers at our partner institutions involved in these projects: West Virginia University, Iowa State University, and Southern Methodist University. The authors appreciate the help from Rachel Silverman with collecting geothermal well cost data. NR 50 TC 12 Z9 12 U1 2 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-4105 EI 1873-4715 J9 J PETROL SCI ENG JI J. Pet. Sci. Eng. PD JUN PY 2014 VL 118 BP 1 EP 14 DI 10.1016/j.petrol.2014.03.012 PG 14 WC Energy & Fuels; Engineering, Petroleum SC Energy & Fuels; Engineering GA AJ7CB UT WOS:000337853700001 ER PT J AU Leggett, RW AF Leggett, R. W. TI Proposed biokinetic model for phosphorus SO JOURNAL OF RADIOLOGICAL PROTECTION LA English DT Article DE phosphorus; biokinetics; workers ID RADIOACTIVE ISOTOPES; P-32; ABSORPTION; EXCRETION; RADIOPHOSPHORUS; METABOLISM; LEUKEMIA; TISSUES; CA-45; RATS AB This paper reviews data related to the biokinetics of phosphorus in the human body and proposes a biokinetic model for systemic phosphorus for use in updated International Commission on Radiological Protection (ICRP) guidance on occupational intake of radionuclides. Compared with the ICRP's current occupational model for systemic phosphorus (Publication 68, 1994), the proposed model provides a more realistic description of the paths of movement of phosphorus in the body and greater consistency with experimental, medical, and environmental data regarding its time-dependent distribution. For acute uptake of P-32 to blood, the proposed model yields roughly a 50% decrease in dose estimates for bone surface and red marrow and a six-fold increase in estimates for liver and kidney compared with the model of Publication 68. For acute uptake of P-33 to blood, the proposed model yields roughly a 50% increase in dose estimates for bone surface and red marrow and a seven-fold increase in estimates for liver and kidney compared with the model of Publication 68. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Leggett, RW (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Bldg 5700,Room O101, Oak Ridge, TN 37831 USA. EM rwl@ornl.gov FU Office of Radiation and Indoor Air, US Environmental Protection Agency (EPA), under Interagency Agreement with UT-Bottelle [DE-AC05-00OR22725, 1824-S581-A1]; US Government [DE-AC05-00OR22725] FX The work described in this manuscript was sponsored by the Office of Radiation and Indoor Air, US Environmental Protection Agency (EPA), under Interagency Agreement DOE No. 1824-S581-A1, under contract No. DE-AC05-00OR22725 with UT-Battelle.; The submitted manuscript has been authored by a contractor of the US Government under contract DE-AC05-00OR22725. Accordingly, the US Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for US Government purposes. NR 41 TC 0 Z9 0 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0952-4746 EI 1361-6498 J9 J RADIOL PROT JI J. Radiol. Prot. PD JUN PY 2014 VL 34 IS 2 BP 417 EP 433 DI 10.1088/0952-4746/34/2/417 PG 17 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA AJ7US UT WOS:000337904600018 PM 24893947 ER PT J AU Franz, R Clavero, C Bolat, R Mendelsberg, R Anders, A AF Franz, Robert Clavero, Cesar Bolat, Rustem Mendelsberg, Rueben Anders, Andre TI Observation of multiple charge states and high ion energies in high-power impulse magnetron sputtering (HiPIMS) and burst HiPIMS using a LaB6 target SO PLASMA SOURCES SCIENCE & TECHNOLOGY LA English DT Article DE LaB6; HiPIMS; sputtering; plasma composition; ion charge state; ion energy ID ELECTRON-EMISSION CHARACTERISTICS; LANTHANUM HEXABORIDE; DISTRIBUTIONS; DISCHARGE; CATHODES; COATINGS; PLASMA AB The charge-state-resolved ion energies of high-power impulse magnetron sputtering (HiPIMS) discharges were measured, using a LaB6 target, as a function of charging voltage, pulse length, pulse frequency and 'on/off' time ratio within applied HiPIMS bursts. The highest charge states can reach '+2' and '+3' for boron and lanthanum ions, respectively. At high discharge powers, the B/La ion ratio can exceed the respective atom ratio in the target producing B-rich plasma with up to 98% boron ions. In the case of two-segmented bursts with high 'on/off' time ratios, La3+ is the dominating lanthanum ion species and the ion energy distribution of B+ shows a pronounced high-energy tail extending up to 750 eV. The measured plasma compositions, ion charge states and ion energies are discussed within the established framework of HiPIMS discharges and the recent postulation that potential humps are associated with drifting ionization zones. The recorded high B/La ion ratios are a result of complex effects related to particle fluxes in the HiPIMS plasma of compound targets, as explained with the help of an expanded schematic representation of self-sputtering and gas atom recycling. The high energies of the B+ ions are based on a combination of the self-sputtering of boron, backscattering of incident boron ions on lanthanum atoms in the target and acceleration by the potential hump. Further evidence for potential humps is provided by the observed charge-state dependence of ion energies and features between the thermal peak and high-energy tail of the ion energy distribution functions. C1 [Franz, Robert; Clavero, Cesar; Bolat, Rustem; Mendelsberg, Rueben; Anders, Andre] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Franz, Robert] Univ Leoben, A-8700 Leoben, Austria. [Bolat, Rustem] Nazarbayev Univ, Astana, Kazakhstan. RP Franz, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM robert.franz@unileoben.ac.at RI Franz, Robert/G-5263-2010; Clavero, Cesar/C-4391-2008; Anders, Andre/B-8580-2009 OI Franz, Robert/0000-0003-4842-7276; Clavero, Cesar/0000-0001-6665-3141; Anders, Andre/0000-0002-5313-6505 FU Austrian Science Fund (FWF) [J3168-N20]; US Department of Energy [DE-AC02-05CH11231] FX The authors thank Roman Chistyakov of Zpulser for advise and support. RF gratefully acknowledges the support of an Erwin Schrodinger Fellowship by the Austrian Science Fund (FWF, Project J3168-N20) which enabled his research at LBNL. Work at LBNL is supported by the US Department of Energy under Contract No DE-AC02-05CH11231. NR 33 TC 6 Z9 6 U1 1 U2 23 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0963-0252 EI 1361-6595 J9 PLASMA SOURCES SCI T JI Plasma Sources Sci. Technol. PD JUN PY 2014 VL 23 IS 3 AR 035001 DI 10.1088/0963-0252/23/3/035001 PG 11 WC Physics, Fluids & Plasmas SC Physics GA AJ7QS UT WOS:000337891900003 ER PT J AU Gueroult, R Fisch, NJ AF Gueroult, R. Fisch, N. J. TI Plasma mass filtering for separation of actinides from lanthanides SO PLASMA SOURCES SCIENCE & TECHNOLOGY LA English DT Article DE plasma filter; confinement; numerical simulation ID SPECTROMETRY AB Separating lanthanides from actinides is a key process in reprocessing nuclear spent fuel. Plasma mass filters, which operate on dissociated elements, offer conceptual advantages for such a task as compared with conventional chemical methods. The capabilities of a specific plasma mass filter concept, called the magnetic centrifugal mass filter, are analyzed within this particular context. Numerical simulations indicate separation of americium ions from a mixture of lanthanides ions for plasma densities of the order of 10(12) cm(-3), and ion temperatures of about 10 eV. In light of collision considerations, separating small fractions of heavy elements from a larger volume of lighter ones is shown to enhance the separation capabilities. C1 [Gueroult, R.; Fisch, N. J.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Gueroult, R (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM rgueroul@pppl.gov FU US DOE [DE-AC02-09CH11466] FX This work was supported by US DOE under contract DE-AC02-09CH11466. NR 24 TC 4 Z9 4 U1 2 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0963-0252 EI 1361-6595 J9 PLASMA SOURCES SCI T JI Plasma Sources Sci. Technol. PD JUN PY 2014 VL 23 IS 3 AR 035002 DI 10.1088/0963-0252/23/3/035002 PG 7 WC Physics, Fluids & Plasmas SC Physics GA AJ7QS UT WOS:000337891900004 ER PT J AU Keeling, PJ Burki, F Wilcox, HM Allam, B Allen, EE Amaral-Zettler, LA Armbrust, EV Archibald, JM Bharti, AK Bell, CJ Beszteri, B Bidle, KD Cameron, CT Campbell, L Caron, DA Cattolico, RA Collier, JL Coyne, K Davy, SK Deschamps, P Dyhrman, ST Edvardsen, B Gates, RD Gobler, CJ Greenwood, SJ Guida, SM Jacobi, JL Jakobsen, KS James, ER Jenkins, B John, U Johnson, MD Juhl, AR Kamp, A Katz, LA Kiene, R Kudryavtsev, A Leander, BS Lin, S Lovejoy, C Lynn, D Marchetti, A McManus, G Nedelcu, AM Menden-Deuer, S Miceli, C Mock, T Montresor, M Moran, MA Murray, S Nadathur, G Nagai, S Ngam, PB Palenik, B Pawlowski, J Petroni, G Piganeau, G Posewitz, MC Rengefors, K Romano, G Rumpho, ME Rynearson, T Schilling, KB Schroeder, DC Simpson, AGB Slamovits, CH Smith, DR Smith, GJ Smith, SR Sosik, HM Stief, P Theriot, E Twary, S Umale, PE Vaulot, D Wawrik, B Wheeler, GL Wilson, WH Xu, Y Zingone, A Worden, AZ AF Keeling, Patrick J. Burki, Fabien Wilcox, Heather M. Allam, Bassem Allen, Eric E. Amaral-Zettler, Linda A. Armbrust, E. Virginia Archibald, John M. Bharti, Arvind K. Bell, Callum J. Beszteri, Bank Bidle, Kay D. Cameron, Connor T. Campbell, Lisa Caron, David A. Cattolico, Rose Ann Collier, Jackie L. Coyne, Kathryn Davy, Simon K. Deschamps, Phillipe Dyhrman, Sonya T. Edvardsen, Bente Gates, Ruth D. Gobler, Christopher J. Greenwood, Spencer J. Guida, Stephanie M. Jacobi, Jennifer L. Jakobsen, Kjetill S. James, Erick R. Jenkins, Bethany John, Uwe Johnson, Matthew D. Juhl, Andrew R. Kamp, Anja Katz, Laura A. Kiene, Ronald Kudryavtsev, Alexander Leander, Brian S. Lin, Senjie Lovejoy, Connie Lynn, Denis Marchetti, Adrian McManus, George Nedelcu, Aurora M. Menden-Deuer, Susanne Miceli, Cristina Mock, Thomas Montresor, Marina Moran, Mary Ann Murray, Shauna Nadathur, Govind Nagai, Satoshi Ngam, Peter B. Palenik, Brian Pawlowski, Jan Petroni, Giulio Piganeau, Gwenael Posewitz, Matthew C. Rengefors, Karin Romano, Giovanna Rumpho, Mary E. Rynearson, Tatiana Schilling, Kelly B. Schroeder, Declan C. Simpson, Alastair G. B. Slamovits, Claudio H. Smith, David R. Smith, G. Jason Smith, Sarah R. Sosik, Heidi M. Stief, Peter Theriot, Edward Twary, ScottN. Umale, Pooja E. Vaulot, Daniel Wawrik, Boris Wheeler, Glen L. Wilson, William H. Xu, Yan Zingone, Adriana Worden, Alexandra Z. TI The Marine Microbial Eukaryote Transcriptome Sequencing Project (MMETSP): Illuminating the Functional Diversity of Eukaryotic Life in the Oceans through Transcriptome Sequencing SO PLOS BIOLOGY LA English DT Editorial Material ID EVOLUTIONARY HISTORY; GENOME; PHYTOPLANKTON; ECOLOGY; PHYLOGENY; BACTERIA; INSIGHTS; PLANKTON; SEA C1 [Keeling, Patrick J.; Burki, Fabien; James, Erick R.; Leander, Brian S.] Univ British Columbia, Dept Bot, Vancouver, BC, Canada. [Keeling, Patrick J.; Archibald, John M.; Simpson, Alastair G. B.; Slamovits, Claudio H.; Worden, Alexandra Z.] Canadian Inst Adv Res, Integrated Microbial Biodivers program, Toronto, ON, Canada. [Wilcox, Heather M.; Worden, Alexandra Z.] Monterey Bay Aquarium Res Inst, Moss Landing, CA USA. [Allam, Bassem; Collier, Jackie L.; Gobler, Christopher J.] SUNY Stony Brook, Sch Marine & Atmospher Sci, Stony Brook, NY 11794 USA. [Allen, Eric E.; Palenik, Brian; Smith, Sarah R.] Univ Calif San Diego, Scripps Inst Oceanog, Marine Biol Res Div, La Jolla, CA 92093 USA. [Amaral-Zettler, Linda A.] Josephine Bay Paul Ctr Comparat Mol Biol, Marine Biol Lab, Woods Hole, MA USA. [Amaral-Zettler, Linda A.] Brown Univ, Dept Geol Sci, Providence, RI 02912 USA. [Armbrust, E. Virginia] Univ Washington, Sch Oceanog, Seattle, WA 98195 USA. [Archibald, John M.; Slamovits, Claudio H.] Dalhousie Univ, Dept Biochem & Mol Biol, Halifax, NS, Canada. [Bharti, Arvind K.; Bell, Callum J.; Cameron, Connor T.; Guida, Stephanie M.; Jacobi, Jennifer L.; Ngam, Peter B.; Schilling, Kelly B.; Umale, Pooja E.] Natl Ctr Genome Resources, Santa Fe, NM USA. [Beszteri, Bank; John, Uwe] Alfred Wegener Inst Helmholtz Ctr Polar & Marine, Bremerhaven, Germany. [Bidle, Kay D.] Rutgers State Univ, Inst Marine & Coastal Sci, New Brunswick, NJ 08903 USA. [Campbell, Lisa] Texas A&M Univ, Dept Biol, Dept Oceanog, College Stn, TX 77843 USA. [Caron, David A.] Univ So Calif, Dept Biol, Los Angeles, CA USA. [Cattolico, Rose Ann] Univ Washington, Dept Biol, Seattle, WA 98195 USA. [Coyne, Kathryn] Univ Delaware, Sch Marine Sci & Policy, Coll Earth Ocean & Environm, Lewes, DE 19958 USA. [Davy, Simon K.] Victoria Univ Wellington, Sch Biol Sci, Wellington, New Zealand. [Deschamps, Phillipe] Univ Paris 11, CNRS UMR8079, Unite Ecol Systemat & Evolut, Orsay, France. [Dyhrman, Sonya T.; Juhl, Andrew R.] Columbia Univ, Dept Earth & Environm Sci, New York, NY USA. [Dyhrman, Sonya T.; Juhl, Andrew R.] Columbia Univ, Lamont Doherty Earth Observ, New York, NY USA. [Edvardsen, Bente; Jakobsen, Kjetill S.] Univ Oslo, Dept Biosci, Oslo, Norway. [Gates, Ruth D.] Univ Hawaii, Hawaii Inst Marine Biol, Honolulu, HI 96822 USA. [Greenwood, Spencer J.] Univ Prince Edward Isl, Atlantic Vet Coll, Dept Biomed Sci, Charlottetown, PE C1A 4P3, Canada. [Greenwood, Spencer J.] Univ Prince Edward Isl, Atlantic Vet Coll, AVC Lobster Sci Ctr, Charlottetown, PE C1A 4P3, Canada. [Jenkins, Bethany] Univ Rhode Isl, Dept Cell & Mol Biol, Kingston, RI 02881 USA. [Jenkins, Bethany; Menden-Deuer, Susanne; Rynearson, Tatiana] Univ Rhode Isl, Grad Sch Oceanog, Narragansett, RI 02882 USA. [Johnson, Matthew D.; Sosik, Heidi M.] Woods Hole Oceanog Inst, Woods Hole, MA 02543 USA. [Kamp, Anja; Stief, Peter] Max Planck Inst Marine Microbiol, Bremen, Germany. [Kamp, Anja] Jacobs Univ Bremen, Mol Life Sci Res Ctr, D-28759 Bremen, Germany. [Katz, Laura A.] Smith Coll, Dept Biol Sci, Northampton, MA 01063 USA. [Kiene, Ronald] Univ S Alabama, Dauphin Isl Sea Lab, Mobile, AL 36688 USA. [Kudryavtsev, Alexander; Pawlowski, Jan] St Petersburg State Univ, Dept Invertebrate Zool, St Petersburg 199034, Russia. [Kudryavtsev, Alexander] Univ Geneva, Dept Genet & Evolut, Geneva, Switzerland. [Lin, Senjie; McManus, George] Univ Connecticut, Dept Marine Sci, Groton, CT 06340 USA. [Lovejoy, Connie] Univ Laval, Dept Biol, Quebec City, PQ G1K 7P4, Canada. [Lynn, Denis] Univ Guelph, Dept Integrat Biol, Guelph, ON N1G 2W1, Canada. [Lynn, Denis] Univ British Columbia, Dept Zool, Vancouver, BC, Canada. [Marchetti, Adrian] Univ N Carolina, Dept Marine Sci, Chapel Hill, NC USA. [Nedelcu, Aurora M.] Univ New Brunswick, Dept Biol, Fredericton, NB E3B 6E1, Canada. [Miceli, Cristina] Univ Camerino, Sch Biosci & Biotechnol, I-62032 Camerino, Italy. [Mock, Thomas] Univ E Anglia, Sch Environm Sci, Norwich NR4 7TJ, Norfolk, England. [Montresor, Marina; Romano, Giovanna; Zingone, Adriana] Stn Zool A Dohrn, I-80121 Naples, Italy. [Moran, Mary Ann] Univ Georgia, Dept Marine Sci, Athens, GA 30602 USA. [Murray, Shauna] Univ Technol Sydney, Plant Funct Biol & Climate Change Cluster C3, Sydney, NSW 2007, Australia. [Nadathur, Govind] Univ Puerto Rico, Dept Marine Sci, Mayaguez, PR 00709 USA. [Nagai, Satoshi] Natl Res Inst Fisheries Sci, Yokohama, Kanagawa, Japan. [Petroni, Giulio] Univ Pisa, Dept Biol, Pisa, Italy. [Piganeau, Gwenael] Observ Oceanol, CNRS, UMR 7232, BIOM, Banyuls Sur Mer, France. [Piganeau, Gwenael] Univ Paris 06, Sorbonne Univ, UMR 7232, BIOM, Banyuls Sur Mer, France. [Posewitz, Matthew C.] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. [Rengefors, Karin] Lund Univ, Dept Biol, Lund, Sweden. [Rumpho, Mary E.] Univ Connecticut, Dept Mol & Cell Biol, Storrs, CT USA. [Schroeder, Declan C.] Marine Biol Assoc UK, Plymouth, Devon, England. [Simpson, Alastair G. B.] Dalhousie Univ, Dept Biol, Halifax, NS, Canada. [Smith, David R.] Univ Western Ontario, London, ON, Canada. [Smith, G. Jason] Moss Landing Marine Labs, Moss Landing, CA 95039 USA. Univ Texas Austin, Sect Integrat Biol, Austin, TX 78712 USA. [Theriot, Edward] Los Alamos Natl Lab, Los Alamos, NM USA. [Twary, ScottN.] CNRS, UMR714, Roscoff, France. [Vaulot, Daniel] Univ Paris 06, Biol Stn, Roscoff, France. [Wawrik, Boris] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Wheeler, Glen L.] Plymouth Marine Lab, Plymouth, Devon, England. [Wilson, William H.] Bigelow Lab Ocean Sci, NCMA, East Boothbay, ME USA. [Xu, Yan] Princeton Univ, Princeton, NJ 08544 USA. RP Keeling, PJ (reprint author), Univ British Columbia, Dept Bot, Vancouver, BC, Canada. EM pkeeling@mail.ubc.ca; azworden@mbari.org RI Piganeau, Gwenael/C-7600-2011; Kudryavtsev, Alexander/J-2921-2013; Murray, Shauna/K-5781-2015; Beszteri, Bank/D-1961-2010; Smith, G Jason/B-3123-2009; zhang, yaqun/J-8478-2014; Mock, Thomas/A-3127-2008; Guo, chentao/G-7320-2016; john, uwe/S-3009-2016; Stief, Peter/C-1090-2017; Burki, Fabien/F-4818-2010; Johnson, Matthew/B-4344-2012; Smith, David/L-7910-2015; Zingone, Adriana/E-4518-2010; Petroni, Giulio/B-6086-2008 OI Twary, Scott/0000-0002-5074-6658; Slamovits, Claudio/0000-0003-3050-1474; Sosik, Heidi/0000-0002-4591-2842; Moran, Mary Ann/0000-0002-0702-8167; Vaulot, Daniel/0000-0002-0717-5685; Romano, Giovanna/0000-0002-4898-7153; Piganeau, Gwenael/0000-0002-9992-4187; Kudryavtsev, Alexander/0000-0002-3818-3610; Juhl, Andrew/0000-0002-1575-3756; Pawlowski, Jan/0000-0003-2421-388X; Coyne, Kathryn/0000-0001-8846-531X; Miceli, Cristina/0000-0002-7829-8471; Murray, Shauna/0000-0001-7096-1307; Beszteri, Bank/0000-0002-6852-1588; Smith, G Jason/0000-0003-1258-4800; Mock, Thomas/0000-0001-9604-0362; john, uwe/0000-0002-1297-4086; Stief, Peter/0000-0002-6355-150X; Johnson, Matthew/0000-0003-4853-2674; Smith, David/0000-0001-9560-5210; Zingone, Adriana/0000-0001-5946-6532; Petroni, Giulio/0000-0001-9572-9897 NR 32 TC 118 Z9 118 U1 10 U2 113 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1545-7885 J9 PLOS BIOL JI PLoS. Biol. PD JUN PY 2014 VL 12 IS 6 AR e1001889 DI 10.1371/journal.pbio.1001889 PG 6 WC Biochemistry & Molecular Biology; Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics GA AJ8QY UT WOS:000337972900016 PM 24959919 ER PT J AU Ronald, PC AF Ronald, Pamela C. TI Lab to Farm: Applying Research on Plant Genetics and Genomics to Crop Improvement SO PLOS BIOLOGY LA English DT Article ID COMMERCIALIZED GM CROPS; GOLDEN-RICE; BACILLUS-THURINGIENSIS; SUBMERGENCE TOLERANCE; CLIMATE-CHANGE; BT COTTON; INSECT RESISTANCE; XANTHOMONAS WILT; FOOD SECURITY; VITAMIN-A AB Over the last 300 years, plant science research has provided important knowledge and technologies for advancing the sustainability of agriculture. In this Essay, I describe how basic research advances have been translated into crop improvement, explore some lessons learned, and discuss the potential for current and future contribution of plant genetic improvement technologies to continue to enhance food security and agricultural sustainability. C1 [Ronald, Pamela C.] Univ Calif Davis, Dept Plant Pathol, Davis, CA 95616 USA. [Ronald, Pamela C.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA. [Ronald, Pamela C.] Joint Bioenergy Inst, Emeryville, CA USA. RP Ronald, PC (reprint author), Univ Calif Davis, Dept Plant Pathol, Davis, CA 95616 USA. EM pcronald@ucdavis.edu FU NIH [GM055962]; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX PCR research is supported by NIH grant GM055962 and the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the U.S. Department of Energy. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript NR 80 TC 9 Z9 9 U1 5 U2 84 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1545-7885 J9 PLOS BIOL JI PLoS. Biol. PD JUN PY 2014 VL 12 IS 6 AR e1001878 DI 10.1371/journal.pbio.1001878 PG 6 WC Biochemistry & Molecular Biology; Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics GA AJ8QY UT WOS:000337972900005 PM 24915201 ER PT J AU Inceoglu, S Rojas, AA Devaux, D Chen, XC Stone, GM Balsara, NP AF Inceoglu, Sebnem Rojas, Adriana A. Devaux, Didier Chen, X. Chelsea Stone, Greg M. Balsara, Nitash P. TI Morphology-Conductivity Relationship of Single-Ion-Conducting Block Copolymer Electrolytes for Lithium Batteries SO ACS MACRO LETTERS LA English DT Article ID POLYMER ELECTROLYTES; TRANSFERENCE NUMBER; DIBLOCK COPOLYMER; MOLECULAR-WEIGHT; SALT; MEMBRANES; CRYSTALLIZATION; SULFONATE; IONOMERS; DISORDER AB A significant limitation of rechargeable lithium-ion batteries arises because most of the ionic current is carried by the anion, the ion that does not participate in energy-producing reactions. Single-ion-conducting block copolymer electrolytes, wherein all of the current is carried by the lithium cations, have the potential to dramatically improve battery performance. The relationship between ionic conductivity and morphology of single-ion-conducting poly(ethylene oxide)-b-polystyrenesulfonyllithium(trifluoromethylsulfonyl)imide (PEO-PSLiTFSI) diblock copolymers was studied by small-angle X-ray scattering and ac impedance spectroscopy. At low temperatures, an ordered lamellar phase is obtained, and the "mobile" lithium ions are trapped in the form of ionic clusters in the glassy polystyrene-rich microphase. An increase in temperature results in a thermodynamic transition to a disordered phase. Above this transition temperature, the lithium ions are released from the clusters, and ionic conductivity increases by several orders of magnitude. This morphology conductivity relationship is very different from all previously published data on published electrolytes. The ability to design electrolytes wherein most of the current is carried by the lithium ions, to sequester them in nonconducting domains and release them when necessary, has the potential to enable new strategies for controlling the charge discharge characteristics of rechargeable lithium batteries. C1 [Inceoglu, Sebnem; Chen, X. Chelsea; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Rojas, Adriana A.; Devaux, Didier; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Rojas, Adriana A.; Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Inceoglu, Sebnem; Rojas, Adriana A.; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, (JCESR, Berkeley, CA 94720 USA. [Stone, Greg M.] Malvern Instruments Inc, Westborough, MA 01581 USA. RP Balsara, NP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM nbalsara@berkeley.edu RI Foundry, Molecular/G-9968-2014 FU Joint Center for Energy Storage Research, an Energy Innovation Hub - U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES); U.S. Department of Energy [DE-AC02-05CH11231]; DOE, Office of Science, BES [DE-AC02-11231]; Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was primarily supported as part of the Joint Center for Energy Storage Research, an Energy Innovation Hub funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES). X-ray scattering research at the Advanced Light Source was supported by DOE, Office of Science, BES. The electrochemical testing equipment 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 DE-AC02-05CH11231 under the Batteries for Advanced Transportation Technologies (BATT) Program. Work at the Molecular Foundry, Lawrence Berkeley National Laboratory was supported by DOE, Office of Science, BES under Contract No, DE-AC02-11231. STEM work was provided by the Electron Microscopy of Soft Matter Program from the Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The STEM experiments were performed as user projects at the National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, under the same contract. We thank Dr. Eric Schaible for his help at Advanced Light Source, Lawrence Berkeley National Laboratory. We also gratefully acknowledge Jacob L. Thelen for helpful discussions. NR 33 TC 23 Z9 23 U1 16 U2 149 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-1653 J9 ACS MACRO LETT JI ACS Macro Lett. PD JUN PY 2014 VL 3 IS 6 BP 510 EP 514 DI 10.1021/mz5001948 PG 5 WC Polymer Science SC Polymer Science GA AJ4KG UT WOS:000337644500003 ER PT J AU Dasgupta, S Wang, D Kubel, C Hahn, H Baumann, TF Biener, J AF Dasgupta, Subho Wang, Di Kuebel, Christian Hahn, Horst Baumann, Theodore F. Biener, Juergen TI Dynamic Control Over Electronic Transport in 3D Bulk Nanographene via Interfacial Charging SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE charge transport; hierarchical structures; hybrid materials; transistors; porous materials ID GRAPHENE-BASED SUPERCAPACITOR; TRANSISTORS; SEMICONDUCTORS AB Electrochemical surface charge-induced variation of physical properties in interface-dominated bulk materials is a rapidly emerging field in material science. The recently developed three-dimensional bulk nanographene (3D-BNG) macro-assemblies with ultra-high surface area and chemical inertness offer new opportunities in this area. Here, the electronic transport in centimeter-sized 3D-BNG monoliths can be dynamically controlled via electrochemically induced surface charge density. Specifically, a fully reversible variation in macroscopic conductance up to several hundred percent is observed with 1 V applied gate potential. The observed conductivity change can be explained in the light of the electrochemically-induced accumulation or depletion of charge carriers in combination with a large variation in the carrier mobility; the latter, being highly affected by the defect density modulations resulting from the interfacial charge injection, sharply decreases with an increase in defect concentrations. The phenomenon presented in this study is believed to open the door to novel applications of bulk graphene materials such as, for example, low voltage and high power tunable resistors. C1 [Dasgupta, Subho; Wang, Di; Kuebel, Christian; Hahn, Horst] Karlsruhe Inst Technol, Inst Nanotechnol, D-76344 Eggenstein Leopoldshafen, Germany. [Dasgupta, Subho; Baumann, Theodore F.; Biener, Juergen] Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. [Wang, Di; Kuebel, Christian] Karlsruhe Inst Technol, Karlsruhe Nano Micro Facil, D-76344 Eggenstein Leopoldshafen, Germany. [Hahn, Horst] Tech Univ Darmstadt, Inst Mat Sci, KIT TUD Joint Res Lab Nanomat, D-64287 Darmstadt, Germany. [Hahn, Horst] Helmholtz Inst Ulm, D-89081 Ulm, Germany. RP Dasgupta, S (reprint author), Karlsruhe Inst Technol, Inst Nanotechnol, D-76344 Eggenstein Leopoldshafen, Germany. EM subho.dasgupta@kit.edu; biener2@llnl.gov RI Hahn, Horst/G-9018-2011; OI Hahn, Horst/0000-0001-9901-3861; Wang, Di/0000-0001-9817-7047; Kuebel, Christian/0000-0001-5701-4006 FU Deutsche Forschungsgemeinschaft (DFG) [HA1344/25-1]; Helmholtz Gemeinschaft in the form of Helmholtz Virtual Institute [VI530]; US DOE by LLNL [DE-AC52-07NA27344]; LDRD Program at LLNL [12-ERD-035] FX The authors acknowledge the financial support by the Deutsche Forschungsgemeinschaft (DFG) under contract HA1344/25-1. SD and HH also thank the financial support from Helmholtz Gemeinschaft in the form of Helmholtz Virtual Institute VI530. Work at LLNL was performed under the auspices of the US DOE by LLNL under Contract DE-AC52-07NA27344. Project 12-ERD-035 was funded by the LDRD Program at LLNL. NR 33 TC 6 Z9 6 U1 4 U2 67 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUN PY 2014 VL 24 IS 23 BP 3494 EP 3500 DI 10.1002/adfm.201303534 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 AJ2KJ UT WOS:000337484300003 ER PT J AU Lee, WY Giri, G Diao, Y Tassone, CJ Matthews, JR Sorensen, ML Mannsfeld, SCB Chen, WC Fong, HH Tok, JBH Toney, MF He, MQ Bao, ZA AF Lee, Wen-Ya Giri, Gaurav Diao, Ying Tassone, Christopher J. Matthews, James R. Sorensen, Michael L. Mannsfeld, Stefan C. B. Chen, Wen-Chang Fong, Hon H. Tok, Jeffrey B. -H. Toney, Michael F. He, Mingqian Bao, Zhenan TI Effect of Non-Chlorinated Mixed Solvents on Charge Transport and Morphology of Solution-Processed Polymer Field-Effect Transistors SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE organic semiconductors; thin-film transistors; solution processing; solution shearing ID THIN-FILM TRANSISTORS; SMALL-ANGLE SCATTERING; HIGH-PERFORMANCE; HIGH-MOBILITY; REGIOREGULAR POLY(3-HEXYLTHIOPHENE); SEMICONDUCTING POLYMERS; ORGANIC SEMICONDUCTORS; SINGLE-CRYSTALS; COPOLYMER; HOLE AB Using non-chlorinated solvents for polymer device fabrication is highly desirable to avoid the negative environmental and health effects of chlorinated solvents. Here, a non-chlorinated mixed solvent system, composed by a mixture of tetrahydronaphthalene and p-xylene, is described for processing a high mobility donor-acceptor fused thiophene-diketopyrrolopyrrole copolymer (PTDPPTFT4) in thin film transistors. The effects of the use of a mixed solvent system on the device performance, e.g., charge transport, morphology, and molecular packing, are investigated. p-Xylene is chosen to promote polymer aggregation in solution, while a higher boiling point solvent, tetrahydronaphthalene, is used to allow a longer evaporation time and better solubility, which further facilitates morphological tuning. By optimizing the ratio of the two solvents, the charge transport characteristics of the polymer semiconductor device are observed to significantly improve for polymer devices deposited by spin coating and solution shearing. Average charge carrier mobilities of 3.13 cm(2) V-1 s(-1) and a maximum value as high as 3.94 cm(2) V-1 s(-1) are obtained by solution shearing. The combination of non-chlorinated mixed solvents and the solution shearing film deposition provide a practical and environmentally-friendly approach to achieve high performance polymer transistor devices. C1 [Lee, Wen-Ya; Giri, Gaurav; Diao, Ying; Tok, Jeffrey B. -H.; Bao, Zhenan] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. [Tassone, Christopher J.; Mannsfeld, Stefan C. B.; Toney, Michael F.] Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. [Matthews, James R.; Sorensen, Michael L.; He, Mingqian] Corning Inc, Corning, NY 14831 USA. [Chen, Wen-Chang] Natl Taiwan Univ, Dept Chem Engn, Taipei 106, Taiwan. [Fong, Hon H.] Shanghai Jiao Tong Univ, Shanghai 200240, Peoples R China. RP Lee, WY (reprint author), Stanford Univ, Dept Chem Engn, 381 North South Mall, Stanford, CA 94305 USA. EM hem@corning.com; zbao@stanford.edu OI CHEN, WEN-CHANG/0000-0003-3170-7220 FU National Science Foundation DMR Solid State Chemistry [DMR-DMR-1303178]; Corning Corporation; Postdoctoral Research Abroad Program - National Science Council, Taiwan; Department of Energy, Laboratory Directed Research and Development funding [DE-AC02-76SF00515]; DOE Office of Biological and Environmental Research; National Institutes of Health, National Institute of General Medical Sciences [P41GM103393]; National Center for Research Resources [P41RR001209] FX The authors acknowledge funding support from the National Science Foundation DMR Solid State Chemistry (DMR-DMR-1303178) and Corning Corporation. W.-Y.L. acknowledges postdoctoral fellowship support from Postdoctoral Research Abroad Program sponsored by the National Science Council, Taiwan. S. C. B. M. and Y.D. acknowledge support by the Department of Energy, Laboratory Directed Research and Development funding, under contract DE-AC02-76SF00515. . Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource, a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Stanford University. The beamline 4-2 is part of the SSRL Structural Molecular Biology Program which is supported by the DOE Office of Biological and Environmental Research, and by the National Institutes of Health, National Institute of General Medical Sciences (including P41GM103393) and the National Center for Research Resources (P41RR001209). NR 54 TC 31 Z9 31 U1 10 U2 69 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUN PY 2014 VL 24 IS 23 BP 3524 EP 3534 DI 10.1002/adfm.201303794 PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AJ2KJ UT WOS:000337484300007 ER PT J AU Li, H Ratcliff, EL Sigdel, AK Giordano, AJ Marder, SR Berry, JJ Bredas, JL AF Li, Hong Ratcliff, Erin L. Sigdel, Ajaya K. Giordano, Anthony J. Marder, Seth R. Berry, Joseph J. Bredas, Jean-Luc TI Modification of the Gallium-Doped Zinc Oxide Surface with Self-Assembled Monolayers of Phosphonic Acids: A Joint Theoretical and Experimental Study SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE density functional theory; metal oxides; energy-level alignments; organic photovoltaics; ultraviolet photoelectron spectroscopy; surface modifications ID INDIUM-TIN-OXIDE; OPEN-CIRCUIT VOLTAGE; POLYMER SOLAR-CELLS; TRANSPARENT CONDUCTING OXIDE; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; WORK FUNCTION; BENZYLPHOSPHONIC ACIDS; THIN-FILMS; ZNO AB Gallium-doped zinc oxide (GZO) surfaces, both bare and modified with chemisorbed phosphonic acid (PA) molecules, are studied using a combination of density functional theory calculations and ultraviolet and X-ray photoelectron spectroscopy measurements. Excellent agreement between theory and experiment is obtained, which leads to an understanding of: i) the core-level binding energy shifts of the various oxygen atoms belonging to different surface sites and to the phosphonic acid molecules; ii) the GZO work-function change upon surface modification, and; iii) the energy level alignments of the frontier molecular orbitals of the PA molecules with respect to the valence band edge and Fermi level of the GZO surface. Importantly, both density of states calculations and experimental measurements of the valence band features demonstrate an increase in the density of states and changes in the characteristics of the valence band edge of GZO upon deposition of the phosphonic acid molecules. The new valence band features are associated with contributions from surface oxygen atoms near a defect site on the oxide surface and from the highest occupied molecular orbitals of the phosphonic acid molecules. C1 [Li, Hong; Giordano, Anthony J.; Marder, Seth R.; Bredas, Jean-Luc] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Li, Hong; Giordano, Anthony J.; Marder, Seth R.; Bredas, Jean-Luc] Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA. [Ratcliff, Erin L.] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA. [Sigdel, Ajaya K.; Berry, Joseph J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Bredas, Jean-Luc] King Abdulaziz Univ, Dept Chem, Jeddah 21589, Saudi Arabia. RP Li, H (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. EM ratcliff@email.arizona.edu; jean-luc.bredas@chemistry.gatech.edu RI Bredas, Jean-Luc/A-3431-2008 OI Bredas, Jean-Luc/0000-0001-7278-4471 FU Center for Interface Science: Solar Electric Materials (CISSEM), an Energy Frontier Research Center - US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001084]; NSF CRIF [CHE-0946869]; Georgia Institute of Technology FX This work was supported as part of the Center for Interface Science: Solar Electric Materials (CISSEM), an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award Number DE-SC0001084 (HL, ELR, AKS, AJG, SRM, JJB, and JLB). The computations reported here were performed mainly at the Georgia Tech Center for Computational Molecular Science and Technology, funded through a NSF CRIF award (Grant No. CHE-0946869) and by the Georgia Institute of Technology. NR 61 TC 18 Z9 18 U1 6 U2 69 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUN PY 2014 VL 24 IS 23 BP 3593 EP 3603 DI 10.1002/adfm.201303670 PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AJ2KJ UT WOS:000337484300015 ER PT J AU Dharmarajan, G Beasley, JC Fike, JA Rhodes, OE AF Dharmarajan, G. Beasley, J. C. Fike, J. A. Rhodes, O. E., Jr. TI Effects of landscape, demographic and behavioral factors on kin structure: testing ecological predictions in a mesopredator with high dispersal capability SO ANIMAL CONSERVATION LA English DT Article DE configuration and composition; mesocarnivore; microsatellite; relatedness; reproductive skew; social structure ID RACCOONS PROCYON-LOTOR; HABITAT FRAGMENTATION; SOCIAL-ORGANIZATION; GENETIC-DIVERGENCE; NORTHERN INDIANA; MATING SYSTEM; POPULATION; CONSERVATION; ATTRIBUTES; EVOLUTION AB Kin structure, the spatial aggregation of related individuals, impacts many processes important to conservation (e.g. inbreeding), and patterns of kin structure could be impacted by human-mediated habitat fragmentation and loss. While kin structure is expected to increase with habitat fragmentation (reduced connectivity), the effects of habitat loss (reduced resource availability) remain unclear. Disentangling the effects of habitat fragmentation and loss is challenging because they usually are spatially correlated, and because most species are negatively affected by both processes. Raccoons Procyon lotor is a model species to test how habitat loss affects kin structure because, although relatively unaffected by habitat fragmentation (because of high dispersal ability), they are negatively affected by habitat loss (forest-related resources being important for female reproductive success). To elucidate the causes and consequences of kin structure in raccoons, we utilized genetic and demographic data collected from 998 individuals trapped from 27 spatially distinct habitat patches (local populations) situated in an agricultural ecosystem. Our results highlight an important, but often ignored fact: structural connectivity does not necessarily predict functional dispersal patterns in natural populations. Thus, in raccoons, local populations with low kin structure were associated with high landscape disturbance (i.e. high levels of habitat loss and low connectivity), and were characterized by demographic instability (i.e. high immigration, emigration and/or mortality). Alternatively, local populations exhibiting high kin structure were associated with low landscape disturbance and high demographic stability (i.e. high natality and philopatry). We propose that such increased philopatry in resource-rich patches could lead to a functional isolation (isolation by resource') exacerbating the negative effects of landscape modification because of isolation by distance and/or resistance, especially in species with low dispersal capability. Our results also indicate that high levels of genetic diversity may be associated with low (rather than high) patch quality because populations in such patches could be composed predominantly of (unrelated) immigrants. C1 [Dharmarajan, G.; Beasley, J. C.; Fike, J. A.; Rhodes, O. E., Jr.] Purdue Univ, Dept Forestry & Nat Resources, W Lafayette, IN 47907 USA. [Dharmarajan, G.] Indian Inst Sci Educ & Res Kolkata, Mohanpur 741252, W Bengal, India. [Beasley, J. C.; Rhodes, O. E., Jr.] Savannah River Ecol Lab, Aiken, SC USA. [Fike, J. A.] Ft Collins Sci Ctr, Ft Collins, CO USA. RP Dharmarajan, G (reprint author), Indian Inst Sci Educ & Res Kolkata, Mohanpur 741252, W Bengal, India. EM guha@iiserkol.ac.in FU Purdue University FX This study would not have been possible without the cooperation of numerous landowners. We especially thank Z. Olson and W. Beatty for their invaluable help in the field and the lab. We also thank our colleagues at FNR and our field assistants for all their help and support. We are indebted to the editor and two anonymous reviewers for their insightful comments on a previous draft of this paper. Funding for this research was provided by Purdue University. NR 63 TC 4 Z9 5 U1 8 U2 40 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1367-9430 EI 1469-1795 J9 ANIM CONSERV JI Anim. Conserv. PD JUN PY 2014 VL 17 IS 3 BP 225 EP 234 DI 10.1111/acv.12086 PG 10 WC Biodiversity Conservation; Ecology SC Biodiversity & Conservation; Environmental Sciences & Ecology GA AJ2WQ UT WOS:000337525600005 ER PT J AU Poyneer, LA McCarville, T Pardini, T Palmer, D Brooks, A Pivovaroff, MJ Macintosh, B AF Poyneer, Lisa A. McCarville, Thomas Pardini, Tommaso Palmer, David Brooks, Audrey Pivovaroff, Michael J. Macintosh, Bruce TI Sub-nanometer flattening of 45 cm long, 45 actuator x-ray deformable mirror SO APPLIED OPTICS LA English DT Article ID FREE-ELECTRON LASER; WAVE-FRONT AB We have built a 45 cm long x-ray deformable mirror (XDM) of super-polished single-crystal silicon that has 45 actuators along the tangential axis. After assembly, the surface height error was 19 nm rms. With use of high-precision visible-light metrology and precise control algorithms, we have actuated the XDM and flattened its entire surface to 0.7 nm rms controllable figure error. This is, to our knowledge, the first sub-nanometer active flattening of a substrate longer than 15 cm. (C) 2014 Optical Society of America C1 [Poyneer, Lisa A.; McCarville, Thomas; Pardini, Tommaso; Palmer, David; Pivovaroff, Michael J.; Macintosh, Bruce] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Brooks, Audrey] AOA Xinet Inc, Northrop Grumman, Devens, MA 01434 USA. RP Poyneer, LA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM poyneer1@llnl.gov RI Pivovaroff, Michael/M-7998-2014 OI Pivovaroff, Michael/0000-0001-6780-6816 FU U.S. Department of Energy by the Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by the Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. The document number is LLNL-JRNL-649073. Early technology development was supported at NG-AOX through internal research and development funding. The authors thank Brian Bauman (optics), Carol Meyers (optimization methods), and Peter Thelin (laboratory facilities) for their advice and assistance. The authors also thank the reviewers for their diligent evaluation and helpful comments that have improved this paper. NR 20 TC 8 Z9 8 U1 1 U2 7 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 JUN 1 PY 2014 VL 53 IS 16 BP 3404 EP 3414 DI 10.1364/AO.53.003404 PG 11 WC Optics SC Optics GA AJ2PY UT WOS:000337502100011 PM 24922415 ER PT J AU Shrivastava, A Williams, B Siahpush, AS Savage, B Crepeau, J AF Shrivastava, Amber Williams, Brian Siahpush, Ali S. Savage, Bruce Crepeau, John TI Numerical and experimental investigation of melting with internal heat generation within cylindrical enclosures SO APPLIED THERMAL ENGINEERING LA English DT Article DE Melting; Internal heat generation; Experiment; Numerical ID SIMULATION; CONVECTION AB There have been significant efforts by the heat transfer community to investigate the melting phenomenon of materials. These efforts have included the analytical development of equations to represent melting, numerical development of computer codes to assist in modeling the phenomena, and collection of experimental data. The understanding of the melting phenomenon has application in several areas of interest, for example, the melting of a Phase Change Material (PCM) used as a thermal storage medium as well as the melting of the fuel bundle in a nuclear power plant during an accident scenario. The objective of this research is two-fold. First a numerical investigation, using computational fluid dynamics (CFD), of melting with internal heat generation for a vertical cylindrical geometry is presented. Second, to the best of authors knowledge, there are very limited number of engineering experimental results available for the case of melting with Internal Heat Generation (IHG). An experiment was performed to produce such data using resistive, or Joule, heating as the IHG mechanism. The numerical results are compared against the experimental results and showed favorable correlation. Uncertainties in the numerical and experimental analysis are discussed. Based on the numerical and experimental analysis, recommendations are made for future work. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Shrivastava, Amber; Williams, Brian; Savage, Bruce] Idaho State Univ, Pocatello, ID 83209 USA. [Siahpush, Ali S.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Crepeau, John] Univ Idaho, Moscow, ID 83843 USA. RP Siahpush, AS (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM siahpush.ali@gmail.com RI Crepeau, John/F-2599-2016 OI Crepeau, John/0000-0001-7277-1347 NR 24 TC 3 Z9 3 U1 0 U2 10 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 JUN PY 2014 VL 67 IS 1-2 BP 587 EP 596 DI 10.1016/j.applthermaleng.2014.02.039 PG 10 WC Thermodynamics; Energy & Fuels; Engineering, Mechanical; Mechanics SC Thermodynamics; Energy & Fuels; Engineering; Mechanics GA AJ4RI UT WOS:000337663100059 ER PT J AU Wang, D Gao, F Peden, CHF Li, JH Kamasamudram, K Epling, WS AF Wang, Di Gao, Feng Peden, Charles H. F. Li, Junhui Kamasamudram, Krishna Epling, William S. TI Selective Catalytic Reduction of NOx with NH3 over a Cu-SSZ-13 Catalyst Prepared by a Solid-State Ion-Exchange Method SO CHEMCATCHEM LA English DT Article DE diesel engine exhaust; heterogeneous catalysis; NOx reduction; solid-state reactions; zeolites ID NITRIC-OXIDE; ACTIVE-SITES; FE-ZSM-5 CATALYST; NH3-SCR REACTION; ZSM-5 ZEOLITES; AMMONIA; DECOMPOSITION; PERFORMANCE; CU/SAPO-34; N2O AB A solid-state ion-exchange method was developed to synthesize Cu-SSZ-13 catalysts with excellent performance in the selective catalytic reduction of NOx with NH3 (NH3-SCR) and with durable hydrothermal stability. Experiments provide evidence that isolated Cu ions were successfully exchanged into the pores, which are the active centers for the NH3-SCR reaction. C1 [Wang, Di; Epling, William S.] Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA. [Gao, Feng; Peden, Charles H. F.] Pacific NW Natl Lab, Inst Integrated Catalysts, Richland, WA 99354 USA. [Li, Junhui; Kamasamudram, Krishna] Cummins Inc, Columbus, IN 47201 USA. RP Epling, WS (reprint author), Univ Houston, Dept Chem & Biomol Engn, 4800 Calhoun Rd, Houston, TX 77204 USA. EM wsepling@uh.edu FU Cummins, Inc.; US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office FX The authors gratefully acknowledge Cummins, Inc., for financially supporting this project. Those of us (F. G. and C. H. F. P.) from Pacific Northwest National Laboratory (PNNL) received support from the US Department of Energy (DOE), Energy Efficiency and Renewable Energy, Vehicle Technologies Office. PNNL is operated for the US DOE by the Battelle Memorial Institute. NR 47 TC 17 Z9 19 U1 12 U2 145 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1867-3880 EI 1867-3899 J9 CHEMCATCHEM JI ChemCatChem PD JUN PY 2014 VL 6 IS 6 BP 1579 EP 1583 DI 10.1002/cctc.201402010 PG 5 WC Chemistry, Physical SC Chemistry GA AJ4ZQ UT WOS:000337689900017 ER PT J AU Lin, YG Chen, YC Miller, JT Chen, LC Chen, KH Hsu, YK AF Lin, Yan-Gu Chen, Ying-Chu Miller, Jeffrey T. Chen, Li-Chyong Chen, Kuei-Hsien Hsu, Yu-Kuei TI Hierarchically Porous Calcium-containing Manganese Dioxide Nanorod Bundles with Superior Photoelectrochemical Activity SO CHEMCATCHEM LA English DT Article DE calcium; hydrogen; doping; manganese; photochemistry ID WATER OXIDATION; VISIBLE-LIGHT; NANOWIRE ARRAYS; PHOTOSYSTEM-II; OXIDES; OXYGEN; CATALYSIS; HYDROGEN; GENERATION; NANOSHEETS AB Bioinspired by the composition of the oxygen evolving complex and the fundamental role of calcium for catalysis, we have synthesized calcium-manganese oxides as promising photo-electrodes. We report the first demonstration of hierarchically porous Ca-containing MnO2 nanorod (NR) bundles as visible-light-sensitive photofunctional nanoelectrodes to fundamentally improve the performance of MnO2 for photoelectrochemical hydrogen generation. A substantial amount of Ca (up to 7.8 atom%) can be in situ incorporated into the MnO2 lattice by a simple electroplating technique because of the exceptionally small feature sizes of several nanorods. The maximum photocurrent could be successfully achieved as high as 0.42 mAcm (2), which is the best value for a MnO2 photoanode to date. Significantly, Ca-containing MnO2 photoanodes illustrated striking photoelectrochemical activity in response to visible light with a high incident photon-to-current conversion efficiency of 7% at a monochromatic wavelength of 450 nm. The improvement in photoactivity of photoelectrochemical response may be attributed to the enhanced visible-light absorption, increased charge-carrier densities, and large contact area with electrolyte owing to the synergistic effects of Ca incorporation and specific mesopore networks, thus contributing to photocatalysis. The new design of constructing highly photoactive Ca-containing MnO2 nanorod bundles sheds light on developing high-efficiency photoelectrodes for solar hydrogen generation. C1 [Lin, Yan-Gu] Natl Synchrotron Radiat Res Ctr, Hsinchu 30076, Taiwan. [Chen, Ying-Chu] Karlsruhe Inst Technol, Inst Anorgan Chem, D-76131 Karlsruhe, Germany. [Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Chen, Li-Chyong; Chen, Kuei-Hsien] Natl Taiwan Univ, Ctr Condensed Matter Sci, Taipei 10617, Taiwan. [Chen, Kuei-Hsien] Acad Sinica, Inst Atom & Mol Sci, Taipei 10617, Taiwan. [Hsu, Yu-Kuei] Natl Dong Hwa Univ, Dept Optoelect Engn, Hualien 97401, Taiwan. RP Lin, YG (reprint author), Natl Synchrotron Radiat Res Ctr, Hsinchu 30076, Taiwan. EM lin.yg@nsrrc.org.tw; chenlc@ntu.edu.tw; ykhsu@mail.ndhu.edu.tw RI Chen, Kuei-Hsien/F-7924-2012; Chen, Li-Chyong/B-1705-2015 OI Chen, Li-Chyong/0000-0001-6373-7729 FU Ministry of Science and Technology, Taiwan; AOARD under AFOSR, US; MoST; NSRRC; IAMS; NTU; ANL FX This work was supported by the Ministry of Science and Technology, Taiwan, and AOARD under AFOSR, US. We gratefully thank MoST, NSRRC, IAMS, NTU and ANL for financial support in this project. NR 41 TC 3 Z9 3 U1 8 U2 54 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1867-3880 EI 1867-3899 J9 CHEMCATCHEM JI ChemCatChem PD JUN PY 2014 VL 6 IS 6 BP 1684 EP 1690 DI 10.1002/cctc.201400012 PG 7 WC Chemistry, Physical SC Chemistry GA AJ4ZQ UT WOS:000337689900032 ER PT J AU McManamay, RA Bevelhimer, MS Kao, SC AF McManamay, Ryan A. Bevelhimer, Mark S. Kao, Shih-Chieh TI Updating the US hydrologic classification: an approach to clustering and stratifying ecohydrologic data SO ECOHYDROLOGY LA English DT Article DE environmental flow; streams; water policy; aquatic conservation; dams ID CONTERMINOUS UNITED-STATES; NATURAL FLOW REGIME; ENVIRONMENTAL FLOWS; RIVER; STREAMFLOW; MANAGEMENT; REGIONS; WATER; VARIABILITY; DELINEATION AB Hydrologic classifications unveil the structure of relationships among groups of streams with differing streamflows and provide a foundation for drawing inferences about the principles that govern those relationships. Hydrologic classes provide a template to generalize hydrologic responses to disturbance and stratify research and management needs applicable to ecohydrology. We used a mixed-modelling approach to create hydrologic classifications for the continental USA using three streamflow datasets, a reference dataset compiled under more strict traditional standards and two additional datasets compiled under more relaxed assumptions. A variety of models were applied to each dataset, and Bayes criteria were used to identify optimal models and numbers of clusters. Using only reference-quality gauges, we classified 1715 stream gauges into 12 classes across the USA. By including more streamflow gauges (n=2402 and 2618) of lesser reference quality in subsequent classifications, we observed minimal increases in dimensionality (i.e. multivariate space) at the expense of increasing uncertainty and outliers. Part of the utility of classification systems rests in their ability to classify new objects and stratify data by common properties. We constructed separate random forest models to predict hydrologic class membership on the basis of hydrologic indices or landscape variables. In addition, we provide an approach to assessing potential outliers due to hydrologic alteration based on class assignment. Departures from class membership due to disturbance take into account multiple hydrologic indices simultaneously; thus, classes can be used to determine if disturbed streams are functioning within the natural range of hydrologic variability. Published 2013. This article is a U.S. Government work and is in the public domain in the USA. C1 [McManamay, Ryan A.; Bevelhimer, Mark S.; Kao, Shih-Chieh] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP McManamay, RA (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37922 USA. EM mcmanamayra@ornl.gov RI Kao, Shih-Chieh/B-9428-2012 OI Kao, Shih-Chieh/0000-0002-3207-5328 FU US Department of Energy's (DOE) Office of Energy Efficiency and Renewable Energy, Wind and Water Power Technologies Program; UT-Battelle, LLC [DE-AC05-00OR22725] FX This research was sponsored by the US Department of Energy's (DOE) Office of Energy Efficiency and Renewable Energy, Wind and Water Power Technologies Program. This paper has been authored by employees of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy. Accordingly, the publisher, by accepting the article for publication, acknowledges that the US Government retains a nonexclusive, paid-up, irrevocable, worldwide licence to publish or reproduce the published form of this manuscript or allow others to do so, for US Government purposes. We thank Henriette Jager, Emmanuel Frimpong, Jonathan Kennen, and an anonymous reviewer for providing editorial suggestions on earlier versions of this manuscript. Special thanks to Leroy Poff for providing his hydrologic classification for public use. NR 77 TC 9 Z9 9 U1 1 U2 32 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1936-0584 EI 1936-0592 J9 ECOHYDROLOGY JI Ecohydrology PD JUN PY 2014 VL 7 IS 3 BP 903 EP 926 DI 10.1002/eco.1410 PG 24 WC Ecology; Environmental Sciences; Water Resources SC Environmental Sciences & Ecology; Water Resources GA AJ2TG UT WOS:000337515300002 ER PT J AU Liu, BW Du, D Hua, X Yu, XY Lin, YH AF Liu, Bingwen Du, Dan Hua, Xin Yu, Xiao-Ying Lin, Yuehe TI Paper-Based Electrochemical Biosensors: From Test Strips to Paper-Based Microfluidics SO ELECTROANALYSIS LA English DT Review DE Electrochemical detection; Lateral flow test strip; Paper-based/paper microfluidics; Point-of-care diagnosis; Biosensors ID LATERAL FLOW TEST; ULTRASENSITIVE MULTIPLEXED DETECTION; IMMUNOCHROMATOGRAPHIC TEST STRIP; PROSTATE-SPECIFIC ANTIGEN; PHOSPHORYLATED ACETYLCHOLINESTERASE; ORGANOPHOSPHORUS AGENTS; SENSITIVE DETECTION; NANOPARTICLE PROBE; ANALYTICAL DEVICE; RAPID DETECTION AB Papers based biosensors such as lateral flow test strips and paper-based microfluidic devices are inexpensive, rapid, flexible, and easy-to-use analytical tools for point-of-care diagnosis. An apparent trend in their detection is to interpret sensing results from qualitative assessment to quantitative determination. Electrochemical (EC) detection plays an important role in quantifying test results. This review focuses on paper-based biosensors with EC detection. The first part provides detailed examples in lateral flow test strips while the second part gives an overview of paper microfluidics. The outlook and recommendation of future directions of papers based EC biosensors are discussed in the end. C1 [Liu, Bingwen; Hua, Xin; Yu, Xiao-Ying; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. [Du, Dan; Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. RP Yu, XY (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM xiaoying.yu@pnnl.gov; yuehe.lin@wsu.edu RI Du, Dan (Annie)/G-3821-2012; Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 FU National Institutes of Health Office of the Director (NIH OD) [U01 NS058161]; National Institute of Neurological Disorders and Stroke (NINDS); National Institute of Environmental Health Sciences (NIH) [U54 ES016015-010003]; Pacific Northwest National Laboratory (PNNL) Chemical Imaging Initiative-Laboratory Directed Research; Department of Energy's Office of Biological and Environmental Research; DOE [DE-AC05-76RL01830] FX This work was supported partially by Grant U01 NS058161 from the National Institutes of Health Office of the Director (NIH OD), and the National Institute of Neurological Disorders and Stroke (NINDS), and by Grant U54 ES016015-010003 from the National Institute of Environmental Health Sciences (NIH). Its contents are solely the responsibility of the authors and do not necessarily represent the official views of the federal government. We are also grateful to the Pacific Northwest National Laboratory (PNNL) Chemical Imaging Initiative-Laboratory Directed Research for support. Part of the research described in this paper 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 (PNNL). PNNL is operated for DOE by Battelle under Contract DE-AC05-76RL01830. NR 85 TC 33 Z9 33 U1 20 U2 186 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1040-0397 EI 1521-4109 J9 ELECTROANAL JI Electroanalysis PD JUN PY 2014 VL 26 IS 6 SI SI BP 1214 EP 1223 DI 10.1002/elan.201400036 PG 10 WC Chemistry, Analytical; Electrochemistry SC Chemistry; Electrochemistry GA AJ4ZX UT WOS:000337690700008 ER PT J AU Sun, CN Tang, ZJ Belcher, C Zawodzinski, TA Fujimoto, C AF Sun, Che-Nan Tang, Zhijiang Belcher, Cami Zawodzinski, Thomas A. Fujimoto, Cy TI Evaluation of Diels-Alder poly( phenylene) anion exchange membranes in all-vanadium redox flow batteries SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE Flow battery; Vanadium; Membrane ID STABILITY; CELLS AB Quaternary ammonium functionalized Diels-Alder poly(phenylene)s (QDAPPs) with different ion exchange capacities (IECs) are examined as membranes in all-vanadium redox flow batteries. QDAPP membrane behavior is compared to a standard, Nafion 212, in measurements of cycling efficiencies, areal specific resistance (ASR), vanadium permeation and durability. The IEC of the QDAPPs clearly shows an impact on the cell ASR and vanadium crossover. The results imply a trade-off between performance, indicated by cell voltage loss at a given current density, and rate of cross-over driven capacity loss in the system. Among the membranes studied, QDAPP with moderate IEC represents the best trade-off of these factors and exhibits higher performance and lower capacity loss compared to Nafion 212. All QDAPP membranes are found to be more durable than the analogous cation exchange membrane, sulfonated DAPP (SDAPP), in V5+ solution. Published by Elsevier B.V C1 [Sun, Che-Nan; Zawodzinski, Thomas A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Tang, Zhijiang; Zawodzinski, Thomas A.] Univ TN Knoxville, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Belcher, Cami; Fujimoto, Cy] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Zawodzinski, Thomas A.] King Abdulaziz Univ, Dept Chem, Jeddah 21413, Saudi Arabia. RP Fujimoto, C (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM chfujim@sandia.gov FU Lockheed Martin Company; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We gratefully acknowledge the U.S. Department of Energy, Office of Electricity Delivery and Energy Reliability (Dr Imre Gyuk). 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 Nuclear Security Administration under contract DE-AC04-94AL85000. NR 19 TC 11 Z9 11 U1 14 U2 77 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 EI 1873-1902 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD JUN PY 2014 VL 43 BP 63 EP 66 DI 10.1016/j.elecom.2014.03.010 PG 4 WC Electrochemistry SC Electrochemistry GA AJ3GY UT WOS:000337555700016 ER PT J AU Briggs, BR Brodie, EL Tom, LM Dong, HL Jiang, HC Huang, QY Wang, S Hou, WG Wu, G Huang, LQ Hedlund, BP Zhang, CL Dijkstra, P Hungate, BA AF Briggs, Brandon R. Brodie, Eoin L. Tom, Lauren M. Dong, Hailiang Jiang, Hongchen Huang, Qiuyuan Wang, Shang Hou, Weiguo Wu, Geng Huang, Liuquin Hedlund, Brian P. Zhang, Chuanlun Dijkstra, Paul Hungate, Bruce A. TI Seasonal patterns in microbial communities inhabiting the hot springs of Tengchong, Yunnan Province, China SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID YELLOWSTONE-NATIONAL-PARK; WEST-YUNNAN; GEOTHERMAL-FIELD; SP NOV.; BACTERIAL; ARCHAEAL; MATS; GEOCHEMISTRY; DIVERSITY; WATERS AB Studies focusing on seasonal dynamics of microbial communities in terrestrial and marine environments are common; however, little is known about seasonal dynamics in high-temperature environments. Thus, our objective was to document the seasonal dynamics of both the physicochemical conditions and the microbial communities inhabiting hot springs in Tengchong County, Yunnan Province, China. The PhyloChip microarray detected 4882 operational taxonomic units (OTUs) within 79 bacterial phylum-level groups and 113 OTUs within 20 archaeal phylum-level groups, which are additional 54 bacterial phyla and 11 archaeal phyla to those that were previously described using pyrosequencing. Monsoon samples (June 2011) showed increased concentrations of potassium, total organic carbon, ammonium, calcium, sodium and total nitrogen, and decreased ferrous iron relative to the dry season (January 2011). At the same time, the highly ordered microbial communities present in January gave way to poorly ordered communities in June, characterized by higher richness of Bacteria, including microbes related to mesophiles. These seasonal changes in geochemistry and community structure are likely due to high rainfall influx during the monsoon season and indicate that seasonal dynamics occurs in high-temperature environments experiencing significant changes in seasonal recharge. Thus, geothermal environments are not isolated from the surrounding environment and seasonality affects microbial ecology. C1 [Briggs, Brandon R.; Dong, Hailiang; Huang, Qiuyuan] Miami Univ, Dept Geol & Environm Earth Sci, Oxford, OH 45056 USA. [Brodie, Eoin L.; Tom, Lauren M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ecol Dept, Div Earth Sci, Berkeley, CA 94720 USA. [Dong, Hailiang; Wang, Shang; Hou, Weiguo; Huang, Liuquin] China Univ Geosci, State Key Lab Biogeol & Environm Geol, Beijing 100083, Peoples R China. [Jiang, Hongchen; Wu, Geng] China Univ Geosci, State Key Lab Biogeol & Environm Geol, Wuhan 430074, Peoples R China. [Hedlund, Brian P.] Univ Nevada, Sch Life Sci, Las Vegas, NV 89154 USA. [Zhang, Chuanlun] Tongji Univ, Sch Ocean Earth Sci, State Key Lab Marine Geol, Shanghai, Peoples R China. [Zhang, Chuanlun] Univ Georgia, Dept Marine Sci, Athens, GA 30602 USA. [Dijkstra, Paul; Hungate, Bruce A.] No Arizona Univ, Ecosyst Sci & Soc Ctr, Flagstaff, AZ 86011 USA. [Dijkstra, Paul; Hungate, Bruce A.] No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA. RP Dong, HL (reprint author), Miami Univ, Dept Geol & Environm Earth Sci, Oxford, OH 45056 USA. EM dongh@muohio.edu RI Tom, Lauren/E-9739-2015; WU, Geng/F-8840-2010; Brodie, Eoin/A-7853-2008; Jiang, Hongchen/I-5838-2016 OI WU, Geng/0000-0002-7259-1044; Brodie, Eoin/0000-0002-8453-8435; FU National Science Foundation [OISE-0968421]; National Natural Science Foundation grants of China [41030211, 41002123, 40972211, 41120124003]; Key Project of International Cooperation of China Ministry of Science and Technology [2013DFA31980]; Program for New Century Excellent Talents in University, MOE [NCET-12-0954] FX We are grateful to the Tengchong PIRE team and the staff from the Yunnan Tengchong Volcano and Spa Tourist Attraction Development Corporation for their assistance. This work was supported by National Science Foundation grants (OISE-0968421), the National Natural Science Foundation grants of China (41030211, 41002123, 40972211 and 41120124003), the Key Project of International Cooperation of China Ministry of Science and Technology (No. 2013DFA31980), and Program for New Century Excellent Talents in University, MOE (NCET-12-0954). The authors are grateful to two anonymous reviewers whose constructive comments significantly improved the quality of the manuscript. NR 49 TC 7 Z9 7 U1 2 U2 40 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 JUN PY 2014 VL 16 IS 6 SI SI BP 1579 EP 1591 DI 10.1111/1462-2920.12311 PG 13 WC Microbiology SC Microbiology GA AJ2SM UT WOS:000337512000012 PM 24148100 ER PT J AU Glass, JB Yu, H Steele, JA Dawson, KS Sun, SL Chourey, K Pan, CL Hettich, RL Orphan, VJ AF Glass, Jennifer B. Yu, Hang Steele, Joshua A. Dawson, Katherine S. Sun, Shulei Chourey, Karuna Pan, Chongle Hettich, Robert L. Orphan, Victoria J. TI Geochemical, metagenomic and metaproteomic insights into trace metal utilization by methane-oxidizing microbial consortia in sulphidic marine sediments SO ENVIRONMENTAL MICROBIOLOGY LA English DT Review ID SULFATE-REDUCING BACTERIA; COENZYME-M REDUCTASE; TUNGSTEN FORMYLMETHANOFURAN DEHYDROGENASE; ARCHAEON METHANOBACTERIUM-WOLFEI; CARBON ASSIMILATION PATHWAYS; EEL RIVER-BASIN; ANAEROBIC OXIDATION; GENOMIC ANALYSIS; HYDRATE RIDGE; TRANSCRIPTIONAL REGULATION AB Microbes have obligate requirements for trace metals in metalloenzymes that catalyse important biogeochemical reactions. In anoxic methane- and sulphide-rich environments, microbes may have unique adaptations for metal acquisition and utilization because of decreased bioavailability as a result of metal sulphide precipitation. However, micronutrient cycling is largely unexplored in cold (10 degrees C) and sulphidic (>1mM sigma H2S) deep-sea methane seep ecosystems. We investigated trace metal geochemistry and microbial metal utilization in methane seeps offshore Oregon and California, USA, and report dissolved concentrations of nickel (0.5-270nM), cobalt (0.5-6nM), molybdenum (10-5600nM) and tungsten (0.3-8nM) in Hydrate Ridge sediment porewaters. Despite low levels of cobalt and tungsten, metagenomic and metaproteomic data suggest that microbial consortia catalysing anaerobic oxidation of methane (AOM) utilize both scarce micronutrients in addition to nickel and molybdenum. Genetic machinery for cobalt-containing vitamin B12 biosynthesis was present in both anaerobic methanotrophic archaea (ANME) and sulphate-reducing bacteria. Proteins affiliated with the tungsten-containing form of formylmethanofuran dehydrogenase were expressed in ANME from two seep ecosystems, the first evidence for expression of a tungstoenzyme in psychrophilic microorganisms. Overall, our data suggest that AOM consortia use specialized biochemical strategies to overcome the challenges of metal availability in sulphidic environments. C1 [Glass, Jennifer B.; Yu, Hang; Steele, Joshua A.; Dawson, Katherine S.; Orphan, Victoria J.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. [Sun, Shulei] Univ Calif San Diego, CAMERA Project, San Diego, CA 92093 USA. [Chourey, Karuna; Pan, Chongle; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Glass, JB (reprint author), Georgia Inst Technol, Sch Earth & Atmospher Sci, 311 Ferst Dr Atlanta, Atlanta, GA 30332 USA. EM jennifer.glass@eas.gatech.edu RI Orphan, Victoria/K-1002-2014; Hettich, Robert/N-1458-2016; OI Orphan, Victoria/0000-0002-5374-6178; Hettich, Robert/0000-0001-7708-786X; , /0000-0002-9216-3813 FU Stephan Schuster; Gordon and Betty Moore Foundation; Department of Energy Division of Biological and Environmental Research [DE-SC0004949]; National Aeronautics and Space Administration Astrobiology Institute (Penn State Astrobiology Research Center); National Science Foundation [OCE-0825791]; NSF [OCE-0825791, MCB-0348492]; National Aeronautics and Space Administration Astrobiology Postdoctoral Fellowship FX We thank Stephanie Connon, Nathan Dalleska, Varun Gadh, Alexis Pasulka, Annelie Pernthaler, Rachel Poretsky and Patricia Tavormina for technical assistance; Jess Adkins, Ken Farley, Lindsay Hedges, Guillaume Paris, and Alex Rider for assistance with ICP-MS analysis; Steve Bates, Anthony Chappaz, George Helz, Sebastian Kopf, Timothy Lyons, James Morgan, Silvan Scheller, Silke Severmann and Laura Wasylenki for helpful discussions; and Roland Hatzenpichler for manuscript comments. We are grateful to the captain, pilots, crew and shipboard research parties of the R/V Western Flyer and R/V Atlantis (AT-15-68 and AT-18-10) for their invaluable support. We also thank Bill Ussler III, Charlie Paull and Husen Zhang for assistance with sample collection from Santa Monica Basin in 2005. We also acknowledge the Gordon and Betty Moore Foundation, and Stephan Schuster for financial and technical support with sequencing BC3 and BC4 at Penn State. This work was supported by grants from the Department of Energy Division of Biological and Environmental Research (DE-SC0004949), the National Aeronautics and Space Administration Astrobiology Institute (Penn State Astrobiology Research Center), and the Gordon and Betty Moore Foundation and the National Science Foundation (OCE-0825791) to V.J.O. Samples from Eel River Basin and Hydrate Ridge were collected as part of NSF-funded projects (MCB-0348492; OCE-0825791) to V.J.O. J.B.G. was supported by a National Aeronautics and Space Administration Astrobiology Postdoctoral Fellowship. NR 139 TC 7 Z9 7 U1 11 U2 101 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 JUN PY 2014 VL 16 IS 6 SI SI BP 1592 EP 1611 DI 10.1111/1462-2920.12314 PG 20 WC Microbiology SC Microbiology GA AJ2SM UT WOS:000337512000013 PM 24148160 ER PT J AU Dong, YR Kumar, CG Chia, N Kim, PJ Miller, PA Price, ND Cann, IKO Flynn, TM Sanford, RA Krapac, IG Locke, RA Hong, PY Tamaki, H Liu, WT Mackie, RI Hernandez, AG Wright, CL Mikel, MA Walker, JL Sivaguru, M Fried, G Yannarell, AC Fouke, BW AF Dong, Yiran Kumar, Charu Gupta Chia, Nicholas Kim, Pan-Jun Miller, Philip A. Price, Nathan D. Cann, Isaac K. O. Flynn, Theodore M. Sanford, Robert A. Krapac, Ivan G. Locke, Randall A., II Hong, Pei-Ying Tamaki, Hideyuki Liu, Wen-Tso Mackie, Roderick I. Hernandez, Alvaro G. Wright, Chris L. Mikel, Mark A. Walker, Jared L. Sivaguru, Mayandi Fried, Glenn Yannarell, Anthony C. Fouke, Bruce W. TI Halomonas sulfidaeris-dominated microbial community inhabits a 1.8km-deep subsurface Cambrian Sandstone reservoir SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID HYDROTHERMAL-VENT; PACIFIC-OCEAN; DRAFT GENOME; RAST SERVER; DEEP; DIVERSITY; BACTERIA; TRANSPORT; BASIN; IRON AB A low-diversity microbial community, dominated by the -proteobacterium Halomonas sulfidaeris, was detected in samples of warm saline formation porewater collected from the Cambrian Mt. Simon Sandstone in the Illinois Basin of the North American Midcontinent (1.8km/5872ft burial depth, 50 degrees C, pH8, 181 bars pressure). These highly porous and permeable quartz arenite sandstones are directly analogous to reservoirs around the world targeted for large-scale hydrocarbon extraction, as well as subsurface gas and carbon storage. A new downhole low-contamination subsurface sampling probe was used to collect in situ formation water samples for microbial environmental metagenomic analyses. Multiple lines of evidence suggest that this H.sulfidaeris-dominated subsurface microbial community is indigenous and not derived from drilling mud microbial contamination. Data to support this includes V1-V3 pyrosequencing of formation water and drilling mud, as well as comparison with previously published microbial analyses of drilling muds in other sites. Metabolic pathway reconstruction, constrained by the geology, geochemistry and present-day environmental conditions of the Mt. Simon Sandstone, implies that H.sulfidaeris-dominated subsurface microbial community may utilize iron and nitrogen metabolisms and extensively recycle indigenous nutrients and substrates. The presence of aromatic compound metabolic pathways suggests this microbial community can readily adapt to and survive subsurface hydrocarbon migration. C1 [Dong, Yiran; Kumar, Charu Gupta; Kim, Pan-Jun; Miller, Philip A.; Price, Nathan D.; Cann, Isaac K. O.; Flynn, Theodore M.; Sanford, Robert A.; Liu, Wen-Tso; Mackie, Roderick I.; Fouke, Bruce W.] Univ Illinois, Energy Biosci Inst, Urbana, IL 61801 USA. [Dong, Yiran; Kumar, Charu Gupta; Chia, Nicholas; Kim, Pan-Jun; Miller, Philip A.; Price, Nathan D.; Cann, Isaac K. O.; Flynn, Theodore M.; Sanford, Robert A.; Liu, Wen-Tso; Mackie, Roderick I.; Sivaguru, Mayandi; Fried, Glenn; Fouke, Bruce W.] Univ Illinois, Inst Genom Biol, Urbana, IL 61801 USA. [Dong, Yiran; Miller, Philip A.; Flynn, Theodore M.; Sanford, Robert A.; Fouke, Bruce W.] Univ Illinois, Dept Geol, Urbana, IL 61801 USA. [Chia, Nicholas; Price, Nathan D.] Inst Syst Biol, Seattle, WA 98109 USA. [Chia, Nicholas] Mayo Clin, Dept Surg, Rochester, MN 55905 USA. [Kim, Pan-Jun] Asia Pacific Ctr Theoret Phys, Pohang 790784, Gyeongbuk, South Korea. [Miller, Philip A.] Shell Oil Co, Houston, TX 77079 USA. [Price, Nathan D.; Hong, Pei-Ying; Tamaki, Hideyuki; Liu, Wen-Tso] Univ Illinois, Urbana, IL 61801 USA. [Cann, Isaac K. O.; Hong, Pei-Ying; Mackie, Roderick I.] Univ Illinois, Dept Anim Sci, Urbana, IL 61801 USA. [Cann, Isaac K. O.; Fouke, Bruce W.] Univ Illinois, Dept Microbiol, Urbana, IL 61801 USA. [Flynn, Theodore M.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Krapac, Ivan G.; Locke, Randall A., II] Univ Illinois, Illinois State Geol Survey, Prairie Res Inst, Urbana, IL 61801 USA. [Tamaki, Hideyuki] Natl Inst Adv Ind Sci & Technol, Bioprod Res Inst, Tsukuba, Ibaraki 3058566, Japan. [Hernandez, Alvaro G.; Wright, Chris L.; Mikel, Mark A.; Fouke, Bruce W.] Univ Illinois, Roy J Carver Biotechnol Ctr, Inst Genom Biol 2613, Urbana, IL 61801 USA. [Walker, Jared L.] Schlumberger Carbon Serv, Sugar Land, TX 77478 USA. [Yannarell, Anthony C.] Univ Illinois, Dept Nat Resources & Environm Sci, Urbana, IL 61801 USA. RP Fouke, BW (reprint author), Univ Illinois, Energy Biosci Inst, 1206 W Gregory Dr, Urbana, IL 61801 USA. EM fouke@illinois.edu RI Hong, Peiying/A-4813-2009; Dong, Yiran /O-6618-2015; Tamaki, Hideyuki/M-9863-2016; OI Hong, Peiying/0000-0002-4474-6600; Flynn, Theodore/0000-0002-1838-8942 FU U.S. Department of Energy National Energy Technology Laboratory (NETL) [US DOE DE-FC26-05NT42588]; Energy Biosciences Institute (EBI) at the University of Illinois Urbana-Champaign (UIUC); U.S. Department of Energy, National Energy Technology Laboratory [US DOE DE-FE-0002421]; National Aeronautics and Space Administration (NASA) through the NASA Astrobiology Institute [NNA13AA91A] FX This project was a fully collaborative research effort. The Illinois Basin - Decatur Project (IBDP) well was planned, drilled and maintained by the Midwest Geological Sequestration Consortium (MGSC), lead by the Illinois State Geological Survey (ISGS) and funded by a U.S. Department of Energy National Energy Technology Laboratory (NETL) grant award (US DOE DE-FC26-05NT42588). Schlumberger Carbon Services operated the Schlumberger (R) Quicksilver Modular Dynamic Formation Tester (MDT) down-hole probe, the Schlumberger Drill Stem Test (DST) and provided seismic and wire-line log analyses and the extraction of full-bore and sidewall rock cores. Deployment of the Schlumberger (R) Quicksilver probe, as well as ensuing metagenomic and bioinformatic microbiological analyses, were supported by a grant from the Energy Biosciences Institute (EBI) at the University of Illinois Urbana-Champaign (UIUC). Other geobiological analyses of rock and water samples collected from the IBDP well was partially supported by a U.S. Department of Energy, National Energy Technology Laboratory, Recovery Act student training program grant in geoscience and geomicrobiology (grant award US DOE DE-FE-0002421). This work was also partially supported by the National Aeronautics and Space Administration (NASA) through the NASA Astrobiology Institute under Cooperative Agreement No. NNA13AA91A issued through the Science Mission Directorate. Conclusions in this study are those of the authors and do not necessarily reflect those of the funding or permitting agencies. The authors gratefully acknowledge the contributions and support of colleagues within the ISGS and MGSC, as well at UIUC, including R. Finley, P. Berger, B. Wimmer, K. Hackley, S. Panno, E. Mehnert, S. Frailey, S. Greenberg, W. Shilts, B. Bowen, J. Thimmapuram, D. Vullaganti and R. Donthu. NR 64 TC 11 Z9 11 U1 0 U2 20 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 JUN PY 2014 VL 16 IS 6 SI SI BP 1695 EP 1708 DI 10.1111/1462-2920.12325 PG 14 WC Microbiology SC Microbiology GA AJ2SM UT WOS:000337512000020 PM 24238218 ER PT J AU Durgesh, V Thomson, J Richmond, MC Polagye, BL AF Durgesh, Vibhav Thomson, Jim Richmond, Marshall C. Polagye, Brian L. TI Noise correction of turbulent spectra obtained from acoustic doppler velocimeters SO FLOW MEASUREMENT AND INSTRUMENTATION LA English DT Article DE Marine-hydro kinetic (MHK) devices; Turbulent flow; Spectra; ADV; Doppler/instrument noise ID PROPER ORTHOGONAL DECOMPOSITION; COHERENT STRUCTURES; SURF ZONE; ADV MEASUREMENTS; FLOW STRUCTURE; MIXING LAYER; PART 1; DYNAMICS; DISSIPATION; FIELD AB Velocity spectra are essential in characterizing turbulent flows. The Acoustic Doppler Velocimeter (ADV) provides three-dimensional time series data at a single point in space which are used for calculating velocity spectra. However, ADV data are susceptible to contamination from various sources, including instrument noise, which is the intrinsic limit to the accuracy of acoustic Doppler processing. This contamination results in a flattening of the velocity spectra at high frequencies (O(10) Hz). This paper demonstrates two elementary methods for attenuating instrument noise and improving velocity spectra. First, a "Noise Auto-Correlation" (NAC) approach utilizes the correlation and spectral properties of instrument noise to identify and attenuate the noise in the spectra. Second, a Proper Orthogonal Decomposition (POD) approach utilizes a modal decomposition of the data and attenuates the instrument noise by neglecting the higher-order modes in a time-series reconstruction. The methods are applied to ADV data collected in a tidal channel with maximum horizontal mean currents up to 2 m/s. The spectra estimated using both approaches exhibit an f(-5/3) slope, consistent with a turbulent inertial sub-range, over a wider frequency range than the raw spectra. In contrast, a Gaussian filter approach yields spectra with a sharp decrease at high frequencies. In an example application, the extended inertial sub-range from the NAC method increased the confidence in estimating the turbulent dissipation rate, which requires fitting the amplitude of the f(-5/3) region. The resulting dissipation rates have smaller uncertainties and are more consistent with an assumed local balance to shear production, especially for mean horizontal currents less than 0.8 m/s. (c) 2014 Elsevier Ltd. All rights reserved. C1 [Durgesh, Vibhav; Richmond, Marshall C.] Pacific NW Natl Lab, Hydrol Grp, Richland, WA 99352 USA. [Thomson, Jim; Polagye, Brian L.] Univ Washington, Northwest Natl Marine Renewable Energy Ctr, Seattle, WA 98105 USA. RP Richmond, MC (reprint author), Pacific NW Natl Lab, Hydrol Grp, Richland, WA 99352 USA. EM marshall.richmond@pnnl.gov RI Richmond, Marshall/D-3915-2013 OI Richmond, Marshall/0000-0003-0111-1485 FU US Department of Energy, Energy Efficiency and Renewable Energy, Wind and Water Power Program FX The Puget Sound field measurements were funded by the US Department of Energy, Energy Efficiency and Renewable Energy, Wind and Water Power Program. Thanks to Joe Talbert, Alex deKlerk, and Andy Reay-Ellers of the University of Washington for help with field data collection. NR 58 TC 6 Z9 7 U1 3 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0955-5986 EI 1873-6998 J9 FLOW MEAS INSTRUM JI Flow Meas. Instrum. PD JUN PY 2014 VL 37 BP 29 EP 41 DI 10.1016/j.flowmeasinst.2014.03.001 PG 13 WC Engineering, Mechanical; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA AJ4NU UT WOS:000337653900003 ER PT J AU Oldenburg, CM AF Oldenburg, Curtis M. TI Which comes first, CCUS or commercial viability of CCUS? SO GREENHOUSE GASES-SCIENCE AND TECHNOLOGY LA English DT Editorial Material C1 Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Oldenburg, CM (reprint author), Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RI Oldenburg, Curtis/L-6219-2013 OI Oldenburg, Curtis/0000-0002-0132-6016 NR 0 TC 0 Z9 0 U1 0 U2 7 PU WILEY PERIODICALS, INC PI SAN FRANCISCO PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA SN 2152-3878 J9 GREENH GASES JI Greenh. Gases PD JUN PY 2014 VL 4 IS 3 BP 257 EP 257 DI 10.1002/ghg.1441 PG 1 WC Energy & Fuels; Engineering, Environmental; Environmental Sciences SC Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AJ4JJ UT WOS:000337641300001 ER PT J AU Bielicki, JM Calas, G Middleton, RS Minh, HD AF Bielicki, Jeffrey M. Calas, Guillaume Middleton, Richard S. Minh Ha-Duong TI National corridors for climate change mitigation: managing industrial CO2 emissions in France SO GREENHOUSE GASES-SCIENCE AND TECHNOLOGY LA English DT Article DE CO2 capture and storage; industrial CO2; pipeline routes; social and political acceptance; qualitative scenarios; optimization ID CARBON SEQUESTRATION; STORAGE; INFRASTRUCTURE; OPTIMIZATION; CAPTURE; DEPLOYMENT; NETWORKS; MODEL; SITE AB Planning for the deployment of carbon dioxide capture and storage (CCS), infrastructure must consider numerous uncertainties regarding where and how much CO2 is produced and where captured CO2 can be geologically stored. We used the SimCCS engineering-economic geospatial optimization models to determine the characteristics of CCS deployment in France and corridors for pipelines that are robust to a priori uncertainty in CO2 production from industrial sources and CO2 storage locations. We found a number of stable routes that are robust to these uncertainties, and thus can provide early options for pipeline planning and rights-of-way acquisition. (C) 2014 Society of Chemical Industry and John Wiley & Sons, Ltd C1 [Bielicki, Jeffrey M.] Ohio State Univ, Columbus, OH 43210 USA. [Calas, Guillaume; Minh Ha-Duong] CNRS, Ctr Int Rech Environm & Dev, Nogent Sur Marne, France. [Calas, Guillaume] Calera Corp, Los Gatos, CA USA. [Middleton, Richard S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Bielicki, JM (reprint author), Ohio State Univ, Dept Civil Environm & Geodet Engn, 483b Hitchcock Hall,2070 Neil Ave, Columbus, OH 43210 USA. EM bielicki.2@osu.edu RI Bielicki, Jeffrey/D-4239-2016; Calas, Georges/B-2445-2012; OI Bielicki, Jeffrey/0000-0001-8449-9328; Calas, Georges/0000-0003-0525-5734; Middleton, Richard/0000-0002-8039-6601 FU ADEME convention [10 94 C0012]; U.S. Department of Energy through the National Energy Technology Laboratory (NETL) via the Regional Carbon Sequestration Partnership Program [DE-FC26-05NT42588]; Illinois Department of Commerce and Economic Opportunity, Office of Coal Development through the Illinois Clean Coal Institute FX This international cooperation was supported in part by ADEME convention 10 94 C0012.; The Midwest Geological Sequestration Consortium is funded by the U.S. Department of Energy through the National Energy Technology Laboratory (NETL) via the Regional Carbon Sequestration Partnership Program (contract number DE-FC26-05NT42588) and by a cost share agreement with the Illinois Department of Commerce and Economic Opportunity, Office of Coal Development through the Illinois Clean Coal Institute. NR 43 TC 1 Z9 1 U1 1 U2 9 PU WILEY PERIODICALS, INC PI SAN FRANCISCO PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA SN 2152-3878 J9 GREENH GASES JI Greenh. Gases PD JUN PY 2014 VL 4 IS 3 BP 262 EP 277 DI 10.1002/ghg.1395 PG 16 WC Energy & Fuels; Engineering, Environmental; Environmental Sciences SC Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AJ4JJ UT WOS:000337641300003 ER PT J AU Stack, AG AF Stack, Andrew G. TI Next generation models of carbonate mineral growth and dissolution SO GREENHOUSE GASES-SCIENCE AND TECHNOLOGY LA English DT Article DE calcium carbonate; kinetics; mineral growth; dissolution; mineral trapping; rate models ID ATOMIC-FORCE MICROSCOPY; ACIDIC AQUEOUS-SOLUTION; CALCITE GROWTH; CRYSTAL-GROWTH; MOLECULAR-SCALE; SOLUTION STOICHIOMETRY; SUPERCRITICAL CO2; ACTIVITY RATIO; SEA-WATER; KINETICS AB The long-term success of carbon sequestration lies in part on the ability to trap carbon dioxide as a carbonate mineral phase. As such, the ability to predict the extent of carbonate mineral precipitation over the lifetime of a proposed geologic sequestration site will be necessary. In this review, different methods of predicting the growth of carbonate minerals, particularly calcite, and their disadvantages and advantages are summarized. Starting from a simple description of the solution saturation state, more advanced affinity-based models are described that comprise the status quo. In these, the reaction rate is measured by the difference in concentration from an equilibrium value or the Gibbs Free Energy of reaction. It is shown that these models fail to capture some important aspects of carbonate mineral growth rates. Next-generation models in development are those that reflect the processes that occur on a mineral surface while it is growing, not just the concentration of dissolved species. While incomplete, these process-based models are already addressing some long-standing questions in geochemistry and are enhancing the accuracy and robustness of the predictive ability for calcite precipitation. Lastly, the importance of the step density, analogous to the reactive site density in a natural sample, is shown. The factors that may influence the step density are described and the potentially complex relationship between step density and solution conditions is presented. While still in development, these models suggest that many of the historical problems in quantitative prediction of mineral growth and dissolution reactions can be resolved. (C) 2014 Society of Chemical Industry and John Wiley & Sons, Ltd C1 Oak Ridge Natl Lab, Oak Ridge National Labor, TN USA. [Stack, Andrew G.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Stack, AG (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008,MS 6110, Oak Ridge, TN 37831 USA. EM stackag@ornl.gov FU Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center - US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-05CH11231]; U.S. Department of Energy through the National Energy Technology Laboratory (NETL) via the Regional Carbon Sequestration Partnership Program [DE-FC26-05NT42588]; Illinois Department of Commerce and Economic Opportunity, Office of Coal Development through the Illinois Clean Coal Institute FX Research sponsored by the Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award Number (DE-AC02-05CH11231). Special thanks to Profs Guntram Jordan and Steven R. Higgins for their insightful comments regarding the kink site nucleation and propagation reactions, Jacquelyn N. Bracco and anonymous reviewers for their helpful comments.; The Midwest Geological Sequestration Consortium is funded by the U.S. Department of Energy through the National Energy Technology Laboratory (NETL) via the Regional Carbon Sequestration Partnership Program (contract number DE-FC26-05NT42588) and by a cost share agreement with the Illinois Department of Commerce and Economic Opportunity, Office of Coal Development through the Illinois Clean Coal Institute. NR 69 TC 5 Z9 5 U1 7 U2 50 PU WILEY PERIODICALS, INC PI SAN FRANCISCO PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA SN 2152-3878 J9 GREENH GASES JI Greenh. Gases PD JUN PY 2014 VL 4 IS 3 BP 278 EP 288 DI 10.1002/ghg.1400 PG 11 WC Energy & Fuels; Engineering, Environmental; Environmental Sciences SC Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AJ4JJ UT WOS:000337641300004 ER PT J AU Engel, D Dalton, A Dale, C Thompson, J Leclaire, R Edwards, B Jones, E AF Engel, Dave Dalton, Angela Dale, Crystal Thompson, Julia Leclaire, Rene Edwards, Bryan Jones, Ed TI Development of a risk-based comparison methodology of carbon capture technologies SO GREENHOUSE GASES-SCIENCE AND TECHNOLOGY LA English DT Article DE carbon capture; risk analysis; technology comparison; uncertainty; quantification ID POWER-PLANTS; CO2 CAPTURE AB Given the varying degrees of maturity among existing carbon capture (CC) technology alternatives, an understanding of the inherent technical and financial risk and uncertainty associated with these competing technologies is requisite to the success of carbon capture as a viable solution to the greenhouse gas emission challenge. The availability of tools and capabilities to conduct rigorous, risk-based technology comparisons is thus highly desirable for directing valuable resources toward the technology option(s) with a high return on investment, superior carbon capture performance, and minimum risk. To address this research need, we introduce a novel risk-based technology comparison method supported by an integrated multi-domain risk model set to estimate risks related to technological maturity, technical performance, and profitability. Through a comparison between solid sorbent and liquid solvent systems, we illustrate the feasibility of estimating risk and quantifying uncertainty in a single domain (modular analytical capability) as well as across multiple risk dimensions (coupled analytical capability) for comparison. This method brings technological maturity and performance to bear on profitability projections, and carries risk and uncertainty modeling across domains via inter-model sharing of parameters, distributions, and input/output. The integration of the models facilitates multidimensional technology comparisons within a common probabilistic risk analysis framework. This approach and model set can equip potential technology adopters with the necessary computational capabilities to make risk-informed decisions about CC technology investment. The method and modeling effort can also be extended to other industries where robust tools and analytical capabilities are currently lacking for evaluating nascent technologies. (C) 2014 Society of Chemical Industry and John Wiley & Sons, Ltd C1 [Engel, Dave; Dalton, Angela] Pacific NW Natl Lab, Richland, WA 99352 USA. [Dale, Crystal; Thompson, Julia; Leclaire, Rene; Edwards, Bryan] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Jones, Ed] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Engel, D (reprint author), PNNL, 902 Battelle Blvd, Richland, WA 99354 USA. EM dave.engel@pnnl.gov FU US Department of Energy's Carbon Capture Simulation Initiative (CCSI); PNNL [60174]; U.S. Department of Energy through the National Energy Technology Laboratory (NETL) via the Regional Carbon Sequestration Partnership Program [DE-FC26-05NT42588]; Illinois Department of Commerce and Economic Opportunity, Office of Coal Development through the Illinois Clean Coal Institute FX This research was funded by the US Department of Energy's Carbon Capture Simulation Initiative (CCSI) and performed under PNNL Project 60174. We thank Charlie Freeman of PNNL for his careful review and constructive critique.; The Midwest Geological Sequestration Consortium is funded by the U.S. Department of Energy through the National Energy Technology Laboratory (NETL) via the Regional Carbon Sequestration Partnership Program (contract number DE-FC26-05NT42588) and by a cost share agreement with the Illinois Department of Commerce and Economic Opportunity, Office of Coal Development through the Illinois Clean Coal Institute. NR 32 TC 0 Z9 0 U1 1 U2 6 PU WILEY PERIODICALS, INC PI SAN FRANCISCO PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA SN 2152-3878 J9 GREENH GASES JI Greenh. Gases PD JUN PY 2014 VL 4 IS 3 BP 316 EP 330 DI 10.1002/ghg.1422 PG 15 WC Energy & Fuels; Engineering, Environmental; Environmental Sciences SC Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AJ4JJ UT WOS:000337641300006 ER PT J AU Wei, N Gill, M Crandall, D McIntyre, D Wang, Y Bruner, K Li, XC Bromhal, G AF Wei, Ning Gill, Magdalena Crandall, Dustin McIntyre, Dustin Wang, Yan Bruner, Kathy Li, Xiaochun Bromhal, Grant TI CO2 flooding properties of Liujiagou sandstone: influence of sub-core scale structure heterogeneity SO GREENHOUSE GASES-SCIENCE AND TECHNOLOGY LA English DT Article DE CO2 flooding; Liujiagou sandstone; computed tomography scanning; numerical simulation; CO2 aquifer storage; carbon storage; sequestration; Ordos Basin ID ORDOS BASIN; CAPILLARY-PRESSURE; CENTRAL CHINA; PERMEABILITY DISTRIBUTIONS; POROUS-MEDIA; STORAGE; BRINE; SYSTEMS; ROCKS; SIMULATION AB The Liujiagou formation is an important CO2 aquifer storage unit in the Ordos Basin in central China. Thus far, it has stored over 90% of the total injected CO2 from the Shenhua carbon capture and storage (CCS) project, which is the first full-chain CCS project in China. Understanding the basic properties of CO2 flooding is critical for site characterization and evaluation. A core-scale characterization and CO2 flooding study of Liujiagou sandstone is the first step to understanding the flooding properties in a CO2 aquifer storage project. The pore geometry of a sample was characterized using medical, industrial, and micro X-ray computed tomography (X-CT) scanners, as well as mercury intrusion porosity and thin section petrography. To study the flooding process, a CO2 core flooding experiment using medical X-CT scanning was conducted with a Liujiagou sandstone sample. Based on the CT data, experimental data, simplified models and COMSOL software, a three-dimensional sub-core scale numerical model that considered porosity, permeability, and capillary pressure heterogeneity was constructed for numerical simulation of CO2 flooding under different scenarios. Laboratory experiments and numerical simulations on a Liujiagou sample revealed the following. The Liujiagou sandstone is a low-porosity and low-permeability sandstone with very high heterogeneity. The sub-core porosity heterogeneity significantly affects CO2 migration. The relative permeability and saturation distribution are significantly affected by the injection velocity of CO2 and are different from those of other sandstones, such as Berea. The analyzed Liujiagou sandstone sample has a very low storage efficiency factor at the core scale. (C) 2014 Society of Chemical Industry and John Wiley & Sons, Ltd C1 [Wei, Ning] Chinese Acad Sci, Inst Rock & Soil Mech, Wuhan 430071, Hubei Province, Peoples R China. [Gill, Magdalena; Crandall, Dustin; McIntyre, Dustin; Bruner, Kathy; Bromhal, Grant] US DOE, Morgantown, WV USA. [Gill, Magdalena; Crandall, Dustin; Bruner, Kathy] URS Corp, Morgantown, WV USA. [Wang, Yan; Li, Xiaochun] Chinese Acad Sci, Wuhan 430071, Hubei Province, Peoples R China. [Bruner, Kathy] W Virginia Univ, Morgantown, WV 26506 USA. RP Wei, N (reprint author), Chinese Acad Sci, Inst Rock & Soil Mech, State Key Lab Geomech & Geotech Engn, Wuhan 430071, Hubei Province, Peoples R China. EM nwei@whrsm.ac.cn OI McIntyre, Dustin/0000-0003-4907-9576 FU Projects of International Cooperation of the Ministry of Science and Technology of China; Joint Research on Key Technologies of Oxy-fuel Combustion Based on CO2 Capture and Storage System [2012DFB60100]; Joint Research on Low Emission Technologies for Integrated Gasification Combined Cycle [2010DFB70560]; Chinese Academy of Science, Pacific Northwest National Laboratory; National Energy Technology Laboratory under the framework of US-China Fossil Energy Protocol, Annex VI-Advanced Coal-Based Energy Systems Research; U.S. Department of Energy through the National Energy Technology Laboratory (NETL) via the Regional Carbon Sequestration Partnership Program [DE-FC26-05NT42588]; Illinois Department of Commerce and Economic Opportunity, Office of Coal Development through the Illinois Clean Coal Institute FX The authors gratefully acknowledge the financial support of the Projects of International Cooperation of the Ministry of Science and Technology of China, Joint Research on Key Technologies of Oxy-fuel Combustion Based on CO2 Capture and Storage System (Grant No. 2012DFB60100), the Joint Research on Low Emission Technologies for Integrated Gasification Combined Cycle (Grant No. 2010DFB70560), as well as the collaborative project between the Chinese Academy of Science, Pacific Northwest National Laboratory, and National Energy Technology Laboratory under the framework of US-China Fossil Energy Protocol, Annex VI-Advanced Coal-Based Energy Systems Research. The authors also gratefully acknowledge the support of National Energy Technology Laboratory Partnerships.; The Midwest Geological Sequestration Consortium is funded by the U.S. Department of Energy through the National Energy Technology Laboratory (NETL) via the Regional Carbon Sequestration Partnership Program (contract number DE-FC26-05NT42588) and by a cost share agreement with the Illinois Department of Commerce and Economic Opportunity, Office of Coal Development through the Illinois Clean Coal Institute. NR 39 TC 7 Z9 9 U1 0 U2 20 PU WILEY PERIODICALS, INC PI SAN FRANCISCO PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA SN 2152-3878 J9 GREENH GASES JI Greenh. Gases PD JUN PY 2014 VL 4 IS 3 BP 400 EP 418 DI 10.1002/ghg.1407 PG 19 WC Energy & Fuels; Engineering, Environmental; Environmental Sciences SC Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AJ4JJ UT WOS:000337641300011 ER PT J AU Dahari, H Cotler, SJ AF Dahari, Harel Cotler, Scott J. TI Individualized Treatment for Patients With Low HCV Load (Genotype 1): A Viral Kinetic Approach SO HEPATOLOGY LA English DT Letter ID VIRUS; EFFICACY; DYNAMICS; THERAPY C1 [Dahari, Harel; Cotler, Scott J.] Loyola Univ, Med Ctr, Dept Med, Program Expt & Theoret Modeling,Div Hepatol, Maywood, IL 60153 USA. [Dahari, Harel] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM USA. RP Dahari, H (reprint author), Loyola Univ, Med Ctr, Dept Med, Program Expt & Theoret Modeling,Div Hepatol, Maywood, IL 60153 USA. FU NIAID NIH HHS [R56/R01-AI078881, R56 AI078881, R01 AI078881]; NIGMS NIH HHS [P20 GM103452, P20-GM103452, P30 GM110907] NR 4 TC 3 Z9 3 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0270-9139 EI 1527-3350 J9 HEPATOLOGY JI Hepatology PD JUN PY 2014 VL 59 IS 6 BP 2422 EP 2423 DI 10.1002/hep.26772 PG 2 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA AJ3LF UT WOS:000337567100044 PM 24615976 ER PT J AU Samudrala, GK Tsoi, GM Weir, ST Vohra, YK AF Samudrala, Gopi K. Tsoi, Georgiy M. Weir, Samuel T. Vohra, Yogesh K. TI Magnetic ordering temperatures in rare earth metal dysprosium under ultrahigh pressures SO HIGH PRESSURE RESEARCH LA English DT Article DE high pressure effects in solids; magnetic ordering temperature; four probe electrical measurements; designer diamond anvils ID CRYSTAL-STRUCTURE; NEUTRON-DIFFRACTION; PHASE-DIAGRAM; GPA; ELEMENTS AB Magnetic ordering temperatures in heavy rare earth metal dysprosium (Dy) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to a pressure of 69GPa and a temperature of 10K. Previous studies using magnetic susceptibility measurements at high pressures were able to track magnetic ordering temperature only till 7GPa in the hexagonal close packed (hcp) phase of Dy. Our studies indicate that the magnetic ordering temperature shows an abrupt drop of 80K at the hcp-Sm phase transition followed by a gradual decrease that continues till 17GPa. This is followed by a rapid increase in the magnetic ordering temperatures in the double hcp phase and finally leveling off in the distorted face centered cubic phase of Dy. Our studies reaffirm that 4f-shell remains localized in Dy and there is no loss of magnetic moment or 4f-shell delocalization for pressures up to 69GPa. C1 [Samudrala, Gopi K.; Tsoi, Georgiy M.; Vohra, Yogesh K.] Univ Alabama Birmingham, Dept Phys, Birmingham, AL 35294 USA. [Weir, Samuel T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Vohra, YK (reprint author), Univ Alabama Birmingham, Dept Phys, Birmingham, AL 35294 USA. EM ykvohra@uab.edu FU Department of Energy-National Nuclear Security Administration [DE-NA0002014] FX This material is based upon work supported by the Department of Energy-National Nuclear Security Administration under Award Number DE-NA0002014. NR 24 TC 4 Z9 4 U1 6 U2 13 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0895-7959 EI 1477-2299 J9 HIGH PRESSURE RES JI High Pressure Res. PD JUN PY 2014 VL 34 IS 2 BP 266 EP 272 DI 10.1080/08957959.2014.903946 PG 7 WC Physics, Multidisciplinary SC Physics GA AJ3YW UT WOS:000337605400014 ER PT J AU Liu, C Wang, JH Fu, Y Koritarov, V AF Liu, Cong Wang, Jianhui Fu, Yong Koritarov, Vladimir TI Multi-area optimal power flow with changeable transmission topology SO IET GENERATION TRANSMISSION & DISTRIBUTION LA English DT Article ID LAGRANGIAN-RELAXATION; SYSTEMS; DECOMPOSITION; OPTIMIZATION; ALGORITHMS; SECURITY; OPF AB This study presents a framework for coordinating multi-area optimal power flow with adjustable network topology in an electric power system. The modelling is accomplished in a coordinated but not a centralised fashion. Each regional operator dispatches its own generation and switches its own transmission network to reach its optimal benefits. The proposed model uses augmented Lagrangian relaxation to realise decomposition. No other information is exchanged between the regional operators except the Lagrangian multipliers. This study compares the centralised transmission switching model and the proposed decentralised method by using several numerical tests. The results verify the effectiveness of the solution methodology. The decomposition framework proposed in this study can serve as a foundation for implementing parallel computing. C1 [Liu, Cong; Wang, Jianhui; Koritarov, Vladimir] Argonne Natl Lab, Div Informat & Sci, Argonne, IL 60439 USA. [Fu, Yong] Mississippi State Univ, Dept Elect & Comp Engn, Mississippi State, MS 39762 USA. RP Liu, C (reprint author), Argonne Natl Lab, Div Informat & Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM liuc@anl.gov FU Argonne National Laboratory ('Argonne'). Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Electricity Delivery and Energy FX The submitted paper has been prepared by the University of Chicago Argonne, LLC, Operator of the Argonne National Laboratory ('Argonne'). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. This work is supported by the U.S. Department of Energy, Office of Electricity Delivery and Energy. NR 25 TC 4 Z9 5 U1 1 U2 3 PU INST ENGINEERING TECHNOLOGY-IET PI HERTFORD PA MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND SN 1751-8687 EI 1751-8695 J9 IET GENER TRANSM DIS JI IET Gener. Transm. Distrib. PD JUN PY 2014 VL 8 IS 6 BP 1082 EP 1089 DI 10.1049/iet-gtd.2013.0464 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA AJ5WC UT WOS:000337759900009 ER PT J AU Berroth, M Jacob, AF Schmidt, LP AF Berroth, Manfred Jacob, Arne F. Schmidt, Lorenz-Peter TI EuMW special issue SO INTERNATIONAL JOURNAL OF MICROWAVE AND WIRELESS TECHNOLOGIES LA English DT Editorial Material C1 [Berroth, Manfred] Univ Stuttgart, Stuttgart, Germany. [Berroth, Manfred] Radar Air Traff Serv, Brussels, Belgium. [Berroth, Manfred] Commun Ctr, Kenova, WV USA. [Berroth, Manfred] Fraunhofer Inst Appl Solid State Phys IAF, Freiburg, Germany. [Berroth, Manfred] IAF, New Delhi, India. [Jacob, Arne F.] CERN, Geneva, Switzerland. [Jacob, Arne F.] Univ Calif Berkeley, Lawrence Berkeley Lab, Accelerator & Fus Res Div, Berkeley, CA 94720 USA. [Jacob, Arne F.] Tech Univ Carolo Wilhelmina Braunschweig, Inst Hochfrequenztech, Braunschweig, Germany. [Jacob, Arne F.] Tech Univ Hamburg, Inst Hochfrequenztech, Hamburg, Germany. [Schmidt, Lorenz-Peter] AEG Telefunken, Corp Adv Millimeter Wave Technol Dept, Ulm, Germany. [Schmidt, Lorenz-Peter] Univ Erlangen Nurnberg, Inst Microwaves & Photon, Nurnberg, Germany. [Schmidt, Lorenz-Peter] VDE ITG Expert Grp Microwave Tech, Munich, Germany. [Schmidt, Lorenz-Peter] European Microwave Week, Rome, Italy. [Schmidt, Lorenz-Peter] EuMC, Rome, Italy. RP Berroth, M (reprint author), Univ Stuttgart, Stuttgart, Germany. NR 0 TC 0 Z9 0 U1 0 U2 2 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA EDINBURGH BLDG, SHAFTESBURY RD, CB2 8RU CAMBRIDGE, ENGLAND SN 1759-0787 EI 1759-0795 J9 INT J MICROW WIREL T JI Int. J. Microw. Wirel. Technol. PD JUN PY 2014 VL 6 IS 3-4 SI SI BP 213 EP 214 DI 10.1017/S175907871400066X PG 2 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA AJ5RF UT WOS:000337742800001 ER PT J AU Augspurger, AE Stender, AS Marchuk, K Greenbowe, TJ Fang, N AF Augspurger, Ashley E. Stender, Anthony S. Marchuk, Kyle Greenbowe, Thomas J. Fang, Ning TI Dark Field Microscopy for Analytical Laboratory Courses SO JOURNAL OF CHEMICAL EDUCATION LA English DT Article DE Second-Year Undergraduate; Upper-Division Undergraduate; Analytical Chemistry; Laboratory Instruction; Hands-On Learning/Manipulatives; Crystals/Crystallography; Nanotechnology; Spectroscopy ID DISSECTING MICROSCOPE; SPECTROSCOPY; CHEMISTRY AB An innovative and inexpensive optical microscopy experiment for a quantitative analysis or an instrumental analysis chemistry course is described. The students have hands-on experience with a dark field microscope and investigate the wavelength dependence of localized surface plasmon resonance in gold and silver nanoparticles. Students also observe and measure individual crystal growth during a replacement reaction between copper and silver nitrate. The experiment allows for quantitative, qualitative, and image data analyses for undergraduate students. C1 [Augspurger, Ashley E.; Stender, Anthony S.; Marchuk, Kyle; Greenbowe, Thomas J.; Fang, Ning] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Augspurger, Ashley E.; Stender, Anthony S.; Marchuk, Kyle; Fang, Ning] US DOE, Ames Lab, Ames, IA 50011 USA. RP Greenbowe, TJ (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM tgreenbo@iastate.edu; nfang@iastate.edu NR 11 TC 1 Z9 1 U1 4 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9584 EI 1938-1328 J9 J CHEM EDUC JI J. Chem. Educ. PD JUN PY 2014 VL 91 IS 6 BP 908 EP 910 DI 10.1021/ed4006248 PG 3 WC Chemistry, Multidisciplinary; Education, Scientific Disciplines SC Chemistry; Education & Educational Research GA AJ5JY UT WOS:000337719700025 ER PT J AU De Kleine, RD Keoleian, GA Miller, SA Burnham, A Sullivan, JL AF De Kleine, Robert D. Keoleian, Gregory A. Miller, Shelie A. Burnham, Andrew Sullivan, John L. TI Impact of Updated Material Production Data in the GREET Life Cycle Model SO JOURNAL OF INDUSTRIAL ECOLOGY LA English DT Article DE automotive fuels; automotive industry; fuel cycle; industrial ecology; Greenhouse gases Regulated Emissions, and Energy use in Transportation (GREET); life cycle assessment (LCA) AB The Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET) model developed by Argonne National Laboratory quantifies the life cycle energy consumption and air emissions resulting from the production and use of light-duty vehicles in the United States. GREET is comprised of two components: GREET 1 represents the fuel cycle of various energy carriers, including automotive fuels, and GREET 2 represents the vehicle cycle, which accounts for the production of vehicles and their constituent materials. The GREET model was updated in 2012 and now includes higher-resolution material processing and transformation data. This study evaluated how model updates influence material and vehicle life cycle results. First, new primary energy demand and greenhouse gas (GHG) emissions results from GREET 2 for steel, aluminum, and plastics resins are compared herein with those from the previous version of the model as well as industrial results. A part of the comparison is a discussion about causes of differences between results. Included in this discussion is an assessment of the impact of the new material production data on vehicle life cycle results for conventional internal combustion engine (ICE) vehicles by comparing the energy and GHG emission values in the updated and previous versions of GREET 2. Finally, results from a sensitivity analysis are presented for identifying life cycle parameters that most affect vehicle life cycle estimates. C1 [De Kleine, Robert D.] Univ Michigan, Ctr Sustainable Syst, Ann Arbor, MI 48109 USA. [Keoleian, Gregory A.; Miller, Shelie A.] Univ Michigan, Sch Nat Resources & Environm, Ann Arbor, MI 48109 USA. [Keoleian, Gregory A.; Miller, Shelie A.] Univ Michigan, Dept Civil & Environm Engn, Ann Arbor, MI 48109 USA. [Keoleian, Gregory A.] Int Soc Ind Ecol, Stockholm, Sweden. [Burnham, Andrew; Sullivan, John L.] Argonne Natl Lab, Argonne, IL 60439 USA. RP De Kleine, RD (reprint author), Univ Michigan, Sch Nat Resources & Environm, Ctr Sustainable Syst, 3012 Dana Bldg,440 Church St, Ann Arbor, MI 48109 USA. EM dekleine@umich.edu RI Miller, Shelie/B-8177-2015 FU Argonne National Laboratory [IF-31321] FX This research was supported by Argonne National Laboratory under contract no. IF-31321. The authors also gratefully acknowledge the contribution of Andrew Fang and Janet Mosley for their work providing updated material production data for the GREET model during the preceding project. NR 21 TC 1 Z9 1 U1 2 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1088-1980 EI 1530-9290 J9 J IND ECOL JI J. Ind. Ecol. PD JUN PY 2014 VL 18 IS 3 BP 356 EP 365 DI 10.1111/jiec.12132 PG 10 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Environmental; Environmental Sciences SC Science & Technology - Other Topics; Engineering; Environmental Sciences & Ecology GA AJ3VF UT WOS:000337595300005 ER PT J AU Herrmann, IT Hauschild, MZ Sohn, MD McKone, TE AF Herrmann, Ivan T. Hauschild, Michael Z. Sohn, Michael D. McKone, Thomas E. TI Confronting Uncertainty in Life Cycle Assessment Used for Decision Support Developing and Proposing a Taxonomy for LCA Studies SO JOURNAL OF INDUSTRIAL ECOLOGY LA English DT Article DE data quality; decision support; industrial ecology; life cycle assessment (LCA); transparency; variability ID INVENTORY ANALYSIS; RAPESEED OIL; PALM OIL; PART 1; OPTIMIZATION; SIMULATION; FRAMEWORK; SYSTEMS AB The aim of this article is to help confront uncertainty in life cycle assessments (LCAs) used for decision support. LCAs offer a quantitative approach to assess environmental effects of products, technologies, and services and are conducted by an LCA practitioner or analyst (AN) to support the decision maker (DM) in making the best possible choice for the environment. At present, some DMs do not trust the LCA to be a reliable decision-support tool-often because DMs consider the uncertainty of an LCA to be too large. The standard evaluation of uncertainty in LCAs is an ex-post approach that can be described as a variance simulation based on individual data points used in an LCA. This article develops and proposes a taxonomy for LCAs based on extensive research in the LCA, management, and economic literature. This taxonomy can be used ex ante to support planning and communication between an AN and DM regarding which type of LCA study to employ for the decision context at hand. This taxonomy enables the derivation of an LCA classification matrix to clearly identify and communicate the type of a given LCA. By relating the LCA classification matrix to statistical principles, we can also rank the different types of LCA on an expected inherent uncertainty scale that can be used to confront and address potential uncertainty. However, this article does not attempt to offer a quantitative approach for assessing uncertainty in LCAs used for decision support. C1 [Herrmann, Ivan T.] Tech Univ Denmark, Climate Ctr, DK-4000 Roskilde, Denmark. [Herrmann, Ivan T.] Tech Univ Denmark, Syst Anal Div, DK-4000 Roskilde, Denmark. [Hauschild, Michael Z.] Tech Univ Denmark, Div Quantitat Sustainabil Assessment, DK-2800 Lyngby, Denmark. [Sohn, Michael D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [McKone, Thomas E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Energy Anal & Environm Impacts Dept, Berkeley, CA 94720 USA. [McKone, Thomas E.] Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. RP Herrmann, IT (reprint author), Tech Univ Denmark, Dept Management Engn, Syst Anal Div, Room 021,Bldg 110 Frederiksborgvej 399, DK-4000 Roskilde, Denmark. EM ithe@dtu.dk RI QSA, DTU/J-4787-2014; Hauschild, Michael/G-4335-2011 FU Technical University of Denmark; Lawrence National Laboratory Berkeley; Novozymes; The Danish National Advanced Technology Foundation FX The authors thank Matthew Ritchie for proofreading a draft of this article and Henrik Spliid (Department of Informatics and Mathematical Modeling, Technical University of Denmark), Jorgen Birk Mortensen (Department of Economics, Copenhagen University), Christian Wood (Frazer-Nash Consultancy Ltd.), Dominic Roberton (Southampton University), Dan Svenstrup (Risk Analyst Danske Bank), Jens Schmidt Antonsen (Group Financial Controller Columbus IT), Jorgen Lindgaard Petersen (Department of Management Engineering, Technical University of Denmark), and Andreas Jorgensen (Department of Management Engineering, Technical University of Denmark) for their valuable and helpful comments as well as the editors and reviewers of the Journal of Industrial Ecology. Funding was provided by Technical University of Denmark, Lawrence National Laboratory Berkeley, Novozymes, and The Danish National Advanced Technology Foundation. NR 72 TC 13 Z9 13 U1 1 U2 25 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1088-1980 EI 1530-9290 J9 J IND ECOL JI J. Ind. Ecol. PD JUN PY 2014 VL 18 IS 3 BP 366 EP 379 DI 10.1111/jiec.12085 PG 14 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Environmental; Environmental Sciences SC Science & Technology - Other Topics; Engineering; Environmental Sciences & Ecology GA AJ3VF UT WOS:000337595300006 ER PT J AU Suratwala, T Feit, MD Steele, WA Wong, LL AF Suratwala, Tayyab Feit, Michael D. Steele, William A. Wong, Lana L. TI Influence of Temperature and Material Deposit on Material Removal Uniformity during Optical Pad Polishing SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID SILICA; RISE; CMP AB The effects of temperature and material deposit on workpiece material removal spatial uniformity during optical pad polishing are described. Round and square-fused silica workpieces (25-265mm in size) were polished on a polyurethane pad using ceria slurry under various conditions. Using a nonrotated workpiece on a rotating lap, elevated temperatures (as measured by IR imaging), due to frictional heating at the workpiece-lap interface, were observed having a largely radial symmetric profile (relative to the lap center) on both the workpiece and lap with a peak temperature corresponding to the workpiece center. A 3D steady-state thermal model of the polishing process, which accounts for the frictional heating and effective heat transfer from various surfaces, quantitatively describes the observed thermal profiles. The temperature spatial uniformity, which affects the material removal spatial uniformity, can be significantly improved using a rotated workpiece and a specially designed compensating septum during polishing. Next, using a rotating workpiece and lap, the workpiece surface develops two types of mid-range structure: (1) fine ripples (sub-mm scale length) that run circumferentially with respect to the lap, which have been attributed to microscopic islands of slurry on the lap leading to radial material removal nonuniformities; and (2) a center depression (cm scale length) which has been attributed to nonlinear slurry & glass products buildup at a specific radial lap location. A polishing simulator model (called Surface Figure or SurF), which accounts for workpiece wear, pad wear, and now deposition on the pad, correctly simulates the preferential material deposit on the pad and the center depression structure developed on the workpiece. Strategies, such as time averaging through kinematics and diamond conditioning, for preventing both these nonuniformities are demonstrated. C1 [Suratwala, Tayyab; Feit, Michael D.; Steele, William A.; Wong, Lana L.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Suratwala, T (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM suratwala1@llnl.gov RI Feit, Michael/A-4480-2009 FU U.S. Department of Energy by Lawrence Livermore National Laboratory within the LDRD program [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 within the LDRD program. Special thanks to R. Desjardin, R. Dylla-Spears, P. Miller, D. Mason, P. Geraghty and N. Shen for the constructive discussions and to Ed Sedillo for the SEM and EDS measurements. NR 18 TC 3 Z9 3 U1 2 U2 15 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 JUN PY 2014 VL 97 IS 6 BP 1720 EP 1727 DI 10.1111/jace.12969 PG 8 WC Materials Science, Ceramics SC Materials Science GA AJ2WZ UT WOS:000337526800009 ER PT J AU Rice, JA Pokorny, R Schweiger, MJ Hrma, P AF Rice, Jarrett A. Pokorny, Richard Schweiger, Michael J. Hrma, Pavel TI Determination of Heat Conductivity and Thermal Diffusivity of Waste Glass Melter Feed: Extension to High Temperatures SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID COLD-CAP; BATCH; CONVERSION; BEHAVIOR; MODEL AB The heat conductivity () and the thermal diffusivity (a) of reacting glass batch, or melter feed, control the heat flux into and within the cold cap, a layer of reacting material floating on the pool of molten glass in an all-electric continuous waste glass melter. After previously estimating of melter feed at temperatures up to 680 degrees C, we focus in this work on the (T) function at T>680 degrees C, at which the feed material becomes foamy. We used a customized experimental setup consisting of a large cylindrical crucible with an assembly of thermocouples, which monitored the evolution of the temperature field while the crucible with feed was heated at a constant rate from room temperature up to 1100 degrees C. Approximating measured temperature profiles by polynomial functions, we used the energy equation to estimate the (T) approximation function, which we subsequently optimized using the finite-volume method combined with least-squares analysis. The heat conductivity increased as the temperature increased until the feed began to expand into foam, at which point the conductivity dropped. It began to increase again as the foam turned into a bubble-free glassmelt. We discuss the implications of this behavior for the mathematical modeling of the cold cap. C1 [Rice, Jarrett A.; Schweiger, Michael J.; Hrma, Pavel] Pacific NW Natl Lab, Richland, WA 99352 USA. [Pokorny, Richard] Prague Inst Chem Technol, Dept Chem Engn, CR-16628 Prague, Czech Republic. [Hrma, Pavel] Pohang Univ Sci & Technol, Div Adv Nucl Engn, Pohang, South Korea. RP Pokorny, R (reprint author), Prague Inst Chem Technol, Dept Chem Engn, CR-16628 Prague, Czech Republic. EM Richard.Pokorny@vscht.cz FU Department of Energy's Waste Treatment and Immobilization Plant Federal Project Office; WCU (World Class University) program through the National Research Foundation of Korea - Ministry of Education, Science and Technology [R31-30005]; specific university research (MSMT) [20/2013]; Battelle [DE-AC05-76RL01830] FX This work was supported by the Department of Energy's Waste Treatment and Immobilization Plant Federal Project Office under the direction of Dr. Albert A. Kruger and by the WCU (World Class University) program through the National Research Foundation of Korea funded by the Ministry of Education, Science and Technology (R31-30005). Richard Pokorny acknowledges financial support from the specific university research (MSMT no 20/2013). The authors are grateful to Jarrod Crum for glass dilatometry, Andy Nelson for laser flash data, and Jaehun Chun and Dong-Sang Kim for insightful discussions. Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by Battelle under Contract DE-AC05-76RL01830. NR 25 TC 5 Z9 5 U1 1 U2 11 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 JUN PY 2014 VL 97 IS 6 BP 1952 EP 1958 DI 10.1111/jace.12971 PG 7 WC Materials Science, Ceramics SC Materials Science GA AJ2WZ UT WOS:000337526800045 ER PT J AU Paula, FS Rodrigues, JLM Zhou, JZ Wu, LY Mueller, RC Mirza, BS Bohannan, BJM Nusslein, K Deng, Y Tiedje, JM Pellizari, VH AF Paula, Fabiana S. Rodrigues, Jorge L. M. Zhou, Jizhong Wu, Liyou Mueller, Rebecca C. Mirza, Babur S. Bohannan, Brendan J. M. Nuesslein, Klaus Deng, Ye Tiedje, James M. Pellizari, Vivian H. TI Land use change alters functional gene diversity, composition and abundance in Amazon forest soil microbial communities SO MOLECULAR ECOLOGY LA English DT Article DE association index; functional gene arrays; GeoChip; soil microbes; tropical forest ID SOUTHWESTERN BRAZILIAN AMAZON; AMMONIA-OXIDIZING ARCHAEA; MICROARRAY-BASED ANALYSIS; 16S RIBOSOMAL-RNA; SEA OIL PLUME; BACTERIAL COMMUNITIES; RAIN-FOREST; CH4 FLUXES; NITROGEN; PASTURE AB Land use change in the Amazon rainforest alters the taxonomic structure of soil microbial communities, but whether it alters their functional gene composition is unknown. We used the highly parallel microarray technology GeoChip 4.0, which contains 83992 probes specific for genes linked nutrient cycling and other processes, to evaluate how the diversity, abundance and similarity of the targeted genes responded to forest-to-pasture conversion. We also evaluated whether these parameters were reestablished with secondary forest growth. A spatially nested scheme was employed to sample a primary forest, two pastures (6 and 38years old) and a secondary forest. Both pastures had significantly lower microbial functional genes richness and diversity when compared to the primary forest. Gene composition and turnover were also significantly modified with land use change. Edaphic traits associated with soil acidity, iron availability, soil texture and organic matter concentration were correlated with these gene changes. Although primary and secondary forests showed similar functional gene richness and diversity, there were differences in gene composition and turnover, suggesting that community recovery was not complete in the secondary forest. Gene association analysis revealed that response to ecosystem conversion varied significantly across functional gene groups, with genes linked to carbon and nitrogen cycling mostly altered. This study indicates that diversity and abundance of numerous environmentally important genes respond to forest-to-pasture conversion and hence have the potential to affect the related processes at an ecosystem scale. C1 [Paula, Fabiana S.; Pellizari, Vivian H.] Univ Sao Paulo, Inst Oceanog, BR-05508120 Sao Paulo, Brazil. [Paula, Fabiana S.] Univ Sao Paulo, Inst Ciencias Biomed, BR-05508900 Sao Paulo, Brazil. [Paula, Fabiana S.; Rodrigues, Jorge L. M.; Mirza, Babur S.] Univ Texas Arlington, Dept Biol, Arlington, TX 76019 USA. [Zhou, Jizhong; Wu, Liyou; Deng, Ye] Univ Oklahoma, Inst Environm Genom, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Mueller, Rebecca C.; Bohannan, Brendan J. M.] Univ Oregon, Inst Ecol & Evolut, Eugene, OR 97403 USA. [Nuesslein, Klaus] Univ Massachusetts, Dept Microbiol, Amherst, MA 01003 USA. [Tiedje, James M.] Michigan State Univ, Ctr Microbial Ecol, E Lansing, MI 48824 USA. RP Paula, FS (reprint author), Univ Sao Paulo, Inst Oceanog, BR-05508120 Sao Paulo, Brazil. EM fabianaspaula@gmail.com OI ?, ?/0000-0002-7584-0632 FU Agriculture and Food Research Initiative Competitive Grant from the US Department of Agriculture National Institute of Food and Agriculture [2009-35319-05186]; CAPES Foundation, Ministry of Education of Brazil [0246-10-7]; United States Department of Agriculture through NSF-USDA Microbial Observatories Program [2007-35319-18305]; ENIGMA (Ecosystems and Networks Integrated with Genes and Molecular Assemblies) through the Office of Science, Office of Biological and Environmental Research, the U.S. Department of Energy [DE-AC02-05CH11231]; OBER Biological Systems Research on the Role of Microbial Communities in Carbon Cycling Program [DE-SC0004601]; U.S. National Science Foundation MacroSystems Biology Program [NSF EF-1065844] FX This project was supported by Agriculture and Food Research Initiative Competitive Grant 2009-35319-05186 from the US Department of Agriculture National Institute of Food and Agriculture. FSP was supported by the CAPES Foundation, Ministry of Education of Brazil (Grant 0246-10-7). This study is also partially supported by the United States Department of Agriculture (Project 2007-35319-18305) through NSF-USDA Microbial Observatories Program (JZ). The development of the GeoChip and associated computational pipelines used in this study was supported by ENIGMA (Ecosystems and Networks Integrated with Genes and Molecular Assemblies) through the Office of Science, Office of Biological and Environmental Research, the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, by the OBER Biological Systems Research on the Role of Microbial Communities in Carbon Cycling Program (DE-SC0004601) and by the U.S. National Science Foundation MacroSystems Biology Program under the contract (NSF EF-1065844). NR 71 TC 19 Z9 19 U1 17 U2 124 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0962-1083 EI 1365-294X J9 MOL ECOL JI Mol. Ecol. PD JUN PY 2014 VL 23 IS 12 BP 2988 EP 2999 DI 10.1111/mec.12786 PG 12 WC Biochemistry & Molecular Biology; Ecology; Evolutionary Biology SC Biochemistry & Molecular Biology; Environmental Sciences & Ecology; Evolutionary Biology GA AJ4AF UT WOS:000337610600009 PM 24806276 ER PT J AU Sumant, AV Auciello, O Liao, MY Williams, OA AF Sumant, Anirudha V. Auciello, Orlando Liao, Meiyong Williams, Oliver A. TI MEMS/NEMS based on mono-, nano-, and ultrananocrystalline diamond films SO MRS BULLETIN LA English DT Article ID NANOCRYSTALLINE DIAMOND; THIN-FILMS; MEMS; RESONATORS; SWITCHES; PERFORMANCE AB Diamond, because of its unique physical, chemical, and electrical properties and the feasibility of growing it in thin-film form, is an ideal choice as a material for the fabrication of reliable, long endurance, microelectromechanical/nanoelectromechanical systems (MEMS/NEMS). However, various practical challenges, including wafer-scale thickness uniformity, CMOS compatibility, surface micromachining, and, more importantly, controlling the internal stress of the diamond films, make this material more challenging for MEMS engineers. Recent advances in the growth of diamond films using chemical vapor deposition have changed this landscape since most technical hurdles have been overcome, enabling a new era of diamond-based MEMS and NEMS development. This article discusses a few examples of MEMS and NEMS devices that have been fabricated using mono-, nano-, and ultrananocrystalline diamond films as well as their performance. C1 [Sumant, Anirudha V.] Argonne Natl Lab, Argonne, IL 60439 USA. [Auciello, Orlando] Univ Texas Dallas, Richardson, TX 75083 USA. [Liao, Meiyong] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050047, Japan. [Williams, Oliver A.] Cardiff Univ, Sch Phys & Astron, Cardiff CF10 3AX, S Glam, Wales. RP Sumant, AV (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM sumant@anl.gov; orlando.auciello@utdallas.edu; williamso@cf.ac.uk RI Liao, Meiyong/B-8333-2011 OI Liao, Meiyong/0000-0003-1361-4266 FU DARPA [MIPR 06-W238]; US Department of Energy, Office of Science, Office of Basic Energy Sciences-Materials Science [DE-AC02-06CH11357]; US Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-AC02-06CH11357]; UTD through the Endowed Chair Professor initiation; Marie Curie Actions FX A.V.S. and O.A. would like to acknowledge funding supported by DARPA under contracts MIPR 06-W238, and by the US Department of Energy, Office of Science, Office of Basic Energy Sciences-Materials Science, under Contract No. DE-AC02-06CH11357. Use of the Center for Nanoscale Materials was supported by the US Department of Energy, Office of Science, and Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. O.A. would like to acknowledge support from UTD through the Endowed Chair Professor initiation. O.W. would like to acknowledge Marie Curie Actions for his Intra-European Fellowship. NR 30 TC 10 Z9 10 U1 6 U2 34 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0883-7694 EI 1938-1425 J9 MRS BULL JI MRS Bull. PD JUN PY 2014 VL 39 IS 6 BP 511 EP 516 DI 10.1557/mrs.2014.98 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AJ0HN UT WOS:000337331500014 ER PT J AU Li, YY Zhang, LH Kisslinger, K Wu, YQ AF Li, Yiyu Zhang, Lihua Kisslinger, Kim Wu, Yiquan TI Green phosphorescence of zinc sulfide optical ceramics SO OPTICAL MATERIALS EXPRESS LA English DT Article ID DOPED ZNS NANOPARTICLES; SODIUM-ACETATE; PHOTOLUMINESCENCE; LUMINESCENCE; TEMPERATURE; NANOCRYSTALS; TRANSITION; NANOBELTS; CRYSTALS AB In the present work, we report a novel luminescent characteristic of the ZnS ceramics. ZnS undoped nanopowders have been synthesized by a wet chemical precipitation method using Na2S as the source of sulfur. Spark plasma sintering (SPS) has been applied to the nanopowders to fabricate dense ZnS ceramics in the pure phase of zinc blende. Photoluminescence (PL) and fluorescence lifetime spectra have been utilized to characterize the luminescent properties of the ZnS ceramics, indicating that these materials exhibit green phosphorescence. In addition, elemental analysis has also been adopted to determine the elemental composition and valency of elements within the ceramic samples. It is concluded that the green phosphorescence results from the presence of elemental sulfur species and Na impurities. C1 [Li, Yiyu; Wu, Yiquan] Alfred Univ, New York State Coll Ceram, Kazuo Inamori Sch Engn, Alfred, NY 14802 USA. [Zhang, Lihua; Kisslinger, Kim] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Li, YY (reprint author), Alfred Univ, New York State Coll Ceram, Kazuo Inamori Sch Engn, Alfred, NY 14802 USA. EM wuy@alfred.edu RI Kisslinger, Kim/F-4485-2014; Zhang, Lihua/F-4502-2014 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX TEM experiments were carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 36 TC 2 Z9 2 U1 1 U2 18 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 JUN 1 PY 2014 VL 4 IS 6 BP 1140 EP 1150 DI 10.1364/OME.4.001140 PG 11 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA AJ2QK UT WOS:000337503700004 ER PT J AU Galande, C Gao, W Mathkar, A Dattelbaum, AM Narayanan, TN Mohite, AD Ajayan, PM AF Galande, Charudatta Gao, Wei Mathkar, Akshay Dattelbaum, Andrew M. Narayanan, Tharangattu N. Mohite, Aditya D. Ajayan, Pulikel M. TI Science and Engineering of Graphene Oxide SO PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION LA English DT Review ID LITHIUM-ION BATTERIES; SOLID-STATE NMR; MULTIWALLED CARBON NANOTUBES; GRAPHITE OXIDE; QUANTUM DOTS; HIGH-PERFORMANCE; ANODE MATERIAL; REVERSIBLE CAPACITY; OPTICAL-PROPERTIES; MICRORNA DETECTION AB Functional and synthesis diversity of graphene oxide (GO) has led to various fundamental and applied scientific explorations. GO can be viewed as an in-plane, hybrid 2D lattice consisting of sp2 and sp3 carbon regions. Engineering the type and distribution of sp3 regions can tune the physical properties of resultant GO. This article reviews the development in the field of GO since the 19th century, with a thorough discussion on its status after the discovery of graphene in last decade. Detailed structure, optical properties, electrochemical behavior, and its viability for biological applications are discussed from both a scientific and technological perspective and a future outlook for GO research is presented. C1 [Galande, Charudatta; Mathkar, Akshay; Narayanan, Tharangattu N.; Ajayan, Pulikel M.] Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77005 USA. [Gao, Wei; Dattelbaum, Andrew M.; Mohite, Aditya D.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87544 USA. RP Galande, C (reprint author), Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77005 USA. EM amohite@lanl.gov; pma2@rice.edu NR 129 TC 11 Z9 13 U1 8 U2 146 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0934-0866 EI 1521-4117 J9 PART PART SYST CHAR JI Part. Part. Syst. Charact. PD JUN PY 2014 VL 31 IS 6 BP 619 EP 638 DI 10.1002/ppsc.201300232 PG 20 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA AJ3XW UT WOS:000337602200001 ER PT J AU Pan, RH Kaur, N Hu, JP AF Pan, Ronghui Kaur, Navneet Hu, Jianping TI The Arabidopsis mitochondrial membrane-bound ubiquitin protease UBP27 contributes to mitochondrial morphogenesis SO PLANT JOURNAL LA English DT Article DE mitochondrial dynamics; organelle division; mitochondrial outer membrane; mitochondrial deubiquitinase; UBP27; Arabidopsis thaliana; dynamin-related protein 3 ID TERMINAL TARGETING SEQUENCES; OUTER-MEMBRANE; DEUBIQUITINATING ENZYMES; SUBCELLULAR-LOCALIZATION; PHOSPHORYLATION SITES; LIPID BIOSYNTHESIS; STRESS-RESPONSE; PROTEINS DRP3A; FISSION; MORPHOLOGY AB Mitochondria are essential organelles with dynamic morphology and function. Post-translational modifications (PTMs), which include protein ubiquitination, are critically involved in animal and yeast mitochondrial dynamics. How PTMs contribute to plant mitochondrial dynamics is just beginning to be elucidated, and mitochondrial enzymes involved in ubiquitination have not been reported from plants. In this study, we identified an Arabidopsis mitochondrial localized ubiquitin protease, UBP27, through a screen that combined bioinformatics and fluorescent fusion protein targeting analysis. We characterized UBP27 with respect to its membrane topology and enzymatic activities, and analysed the mitochondrial morphological changes in UBP27T-DNA insertion mutants and overexpression lines. We have shown that UBP27 is embedded in the mitochondrial outer membrane with an Nin-Cout orientation and possesses ubiquitin protease activities in vitro. UBP27 demonstrates similar sub-cellular localization, domain structure, membrane topology and enzymatic activities with two mitochondrial deubiquitinases, yeast ScUBP16 and human HsUSP30, which indicated that these proteins are functional orthologues in eukaryotes. Although loss-of-function mutants of UBP27 do not show obvious phenotypes in plant growth and mitochondrial morphology, UBP27 overexpression can change mitochondrial morphology from rod to spherical shape and reduce the mitochondrial association of dynamin-related protein 3 (DRP3) proteins, large GTPases that serve as the main mitochondrial fission factors. Thus, our study has uncovered a plant ubiquitin protease that plays a role in mitochondrial morphogenesis possibly through modulation of the function of organelle division proteins. C1 [Pan, Ronghui; Kaur, Navneet; Hu, Jianping] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. [Pan, Ronghui] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. [Hu, Jianping] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. RP Hu, JP (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. EM huji@msu.edu FU Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy [DE-FG02-91ER20021]; National Science Foundation [MCB 1330441] FX We would like to thank Melinda Frame for help with confocal microscopy and Kyaw Aung for technical assistance. This work was supported by grants to JH from the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy (DE-FG02-91ER20021), and National Science Foundation (MCB 1330441). NR 84 TC 8 Z9 9 U1 2 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0960-7412 EI 1365-313X J9 PLANT J JI Plant J. PD JUN PY 2014 VL 78 IS 6 BP 1047 EP 1059 DI 10.1111/tpj.12532 PG 13 WC Plant Sciences SC Plant Sciences GA AJ3XA UT WOS:000337600000013 PM 24707813 ER PT J AU Blanton, T Havrilla, G AF Blanton, Tom Havrilla, George TI Sixty-second Denver X-ray Conference and selected papers for the special June Powder Diffraction issue SO POWDER DIFFRACTION LA English DT Editorial Material C1 [Havrilla, George] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 1 U2 3 PU J C P D S-INT CENTRE DIFFRACTION DATA PI NEWTOWN SQ PA 12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA SN 0885-7156 EI 1945-7413 J9 POWDER DIFFR JI Powder Diffr. PD JUN PY 2014 VL 29 IS 2 BP 96 EP 96 PG 1 WC Materials Science, Characterization & Testing SC Materials Science GA AJ2NZ UT WOS:000337495900002 ER PT J AU Rodriguez, MA Bell, NS Griego, JJM Edney, CV Clem, PG AF Rodriguez, Mark A. Bell, Nelson S. Griego, James J. M. Edney, Cynthia V. Clem, Paul G. TI In-situ monitoring of vanadium dioxide formation using high-temperature XRD SO POWDER DIFFRACTION LA English DT Article DE vanadium dioxide; high-temperature XRD ID CRYSTAL-STRUCTURE; PHASE-TRANSITION; REFINEMENT; PARTICLES; VO2 AB The monoclinic-to-tetragonal phase transition (similar to 70 degrees C) in vanadium dioxide (VO2) strongly impacts the infrared properties, which enables its use in applications such as smart window devices. Synthesis of VO2 can be challenging due to the variability of vanadium oxide phases that may be formed. We have employed high-temperature X-ray diffraction (HTXRD) to monitor the reaction process of vanadium oxide precursor powders to form the desired tetragonal VO2 phase. Single-phase tetragonal VO2 was formed within 30 min at 420 degrees C in flowing N-2 gas (similar to 50 ppm O-2). The monoclinic-to-tetragonal phase transformation was observed via HTXRD at similar to 70 degrees C with the typical 10 degrees C hysteresis (i.e. approached from above or below the transition). (C) 2014 International Centre for Diffraction Data. C1 [Rodriguez, Mark A.; Bell, Nelson S.; Griego, James J. M.; Edney, Cynthia V.; Clem, Paul G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rodriguez, MA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM marodri@sandia.gov FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Amy Allen (Sandia) for her assistance in the SEM analysis of VOP powders. Sandia 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 14 TC 0 Z9 0 U1 4 U2 30 PU J C P D S-INT CENTRE DIFFRACTION DATA PI NEWTOWN SQ PA 12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA SN 0885-7156 EI 1945-7413 J9 POWDER DIFFR JI Powder Diffr. PD JUN PY 2014 VL 29 IS 2 BP 97 EP 101 DI 10.1017/S0885715614000311 PG 5 WC Materials Science, Characterization & Testing SC Materials Science GA AJ2NZ UT WOS:000337495900003 ER PT J AU Xu, HF Li, CX He, DW Jinag, YB AF Xu, Huifang Li, Chenxiang He, Duanwei Jinag, Yingbing TI Stability and structure changes of Na-titanate nanotubes at high temperature and high pressure SO POWDER DIFFRACTION LA English DT Article DE Na-titanate; X-ray diffraction; energy-dispersive X-ray diffraction (EDXRD) ID CARBON NANOTUBES; OXIDATION; STORAGE AB Stability of Na-titanate-based nanotubes at high temperature and pressure is investigated using X-ray diffraction and energy-dispersive X-ray diffraction (EDXRD). Our results show that the nanotubes can be stable at similar to 400 degrees C. Higher temperature annealing of nanotubes result in opening and flattening of the nanotubes, and subsequent structural transformation to Na2Ti6O13-based structure via an intermediate phase with Na0.23TiO2-like structure. In situ EDXRD using diamond anvil cell indicates that the nanotubes collapse at about 15 GPa, and are finally transformed into an amorphous phase at about 30 GPa. The nanotubes kept in an amorphous state were further compressed to 50 GPa according to our in situ EDXRD observation. Titanate nanotubes are mechanically stronger than carbon nanotubes under static compression. (C) 2014 International Centre for Diffraction Data. C1 [Xu, Huifang; Li, Chenxiang] Univ Wisconsin, Dept Geosci, Madison, WI 53706 USA. [He, Duanwei] Los Alamos Natl Lab, LANSCE, Los Alamos, NM 87545 USA. [Jinag, Yingbing] Univ New Mexico, Dept Earth & Planetary Sci, Albuquerque, NM 87131 USA. RP Xu, HF (reprint author), Univ Wisconsin, Dept Geosci, Madison, WI 53706 USA. EM hfxu@geology.wisc.edu FU NASA Astrobiology Institute [N07-5489] FX This work was supported by the NASA Astrobiology Institute (N07-5489). The authors acknowledge Brookhaven National Laboratory for using a beam line facility at NSLS. The authors also thank Mr. Nicholas Levitt for providing useful suggestions. NR 11 TC 3 Z9 3 U1 3 U2 31 PU J C P D S-INT CENTRE DIFFRACTION DATA PI NEWTOWN SQ PA 12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA SN 0885-7156 EI 1945-7413 J9 POWDER DIFFR JI Powder Diffr. PD JUN PY 2014 VL 29 IS 2 BP 147 EP 150 DI 10.1017/S0885715614000220 PG 4 WC Materials Science, Characterization & Testing SC Materials Science GA AJ2NZ UT WOS:000337495900013 ER PT J AU Kaduk, JA Crowder, CE Zhong, K Fawcett, TG Suchomel, MR AF Kaduk, J. A. Crowder, C. E. Zhong, K. Fawcett, T. G. Suchomel, M. R. TI Powder X-ray diffraction of vancomycin hydrochloride, C66H76Cl3N9O24 SO POWDER DIFFRACTION LA English DT Editorial Material C1 [Kaduk, J. A.] IIT, Chicago, IL 60616 USA. [Crowder, C. E.; Zhong, K.; Fawcett, T. G.] ICDD, Newtown Sq, PA 19073 USA. [Suchomel, M. R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Zhong, K (reprint author), ICDD, 12 Campus Blvd, Newtown Sq, PA 19073 USA. EM zhong@icdd.com NR 0 TC 0 Z9 0 U1 1 U2 5 PU J C P D S-INT CENTRE DIFFRACTION DATA PI NEWTOWN SQ PA 12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA SN 0885-7156 EI 1945-7413 J9 POWDER DIFFR JI Powder Diffr. PD JUN PY 2014 VL 29 IS 2 BP 199 EP 199 PG 1 WC Materials Science, Characterization & Testing SC Materials Science GA AJ2NZ UT WOS:000337495900023 ER PT J AU Kaduk, JA Crowder, CE Zhong, K Fawcett, TG Suchomel, MR AF Kaduk, J. A. Crowder, C. E. Zhong, K. Fawcett, T. G. Suchomel, M. R. TI Powder X-ray diffraction of risedronate sodium hemipentahydrate, C7H10NNaO7P2(H2O)(2.5) SO POWDER DIFFRACTION LA English DT Editorial Material C1 [Kaduk, J. A.] IIT, Chicago, IL 60616 USA. [Crowder, C. E.; Zhong, K.; Fawcett, T. G.] ICDD, Newtown Sq, PA 19073 USA. [Suchomel, M. R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Zhong, K (reprint author), ICDD, 12 Campus Blvd, Newtown Sq, PA 19073 USA. EM zhong@icdd.com NR 1 TC 0 Z9 0 U1 1 U2 3 PU J C P D S-INT CENTRE DIFFRACTION DATA PI NEWTOWN SQ PA 12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA SN 0885-7156 EI 1945-7413 J9 POWDER DIFFR JI Powder Diffr. PD JUN PY 2014 VL 29 IS 2 BP 200 EP 200 PG 1 WC Materials Science, Characterization & Testing SC Materials Science GA AJ2NZ UT WOS:000337495900024 ER PT J AU Kaduk, JA Crowder, CE Zhong, K Fawcett, TG Suchomel, MR AF Kaduk, J. A. Crowder, C. E. Zhong, K. Fawcett, T. G. Suchomel, M. R. TI Powder X-ray diffraction of ibandronate sodium monohydrate, C9H22NNaO7P2(H2O) SO POWDER DIFFRACTION LA English DT Editorial Material C1 [Kaduk, J. A.] IIT, Chicago, IL 60616 USA. [Crowder, C. E.; Zhong, K.; Fawcett, T. G.] ICDD, Newtown Sq, PA 19073 USA. [Suchomel, M. R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Zhong, K (reprint author), ICDD, 12 Campus Blvd, Newtown Sq, PA 19073 USA. EM zhong@icdd.com NR 1 TC 0 Z9 0 U1 0 U2 1 PU J C P D S-INT CENTRE DIFFRACTION DATA PI NEWTOWN SQ PA 12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA SN 0885-7156 EI 1945-7413 J9 POWDER DIFFR JI Powder Diffr. PD JUN PY 2014 VL 29 IS 2 BP 201 EP 201 PG 1 WC Materials Science, Characterization & Testing SC Materials Science GA AJ2NZ UT WOS:000337495900025 ER PT J AU Kaduk, JA Crowder, CE Zhong, K Fawcett, TG Suchomel, MR AF Kaduk, J. A. Crowder, C. E. Zhong, K. Fawcett, T. G. Suchomel, M. R. TI Powder X-ray diffraction of albuterol sulfate (C13H22NO3)(2)SO4 SO POWDER DIFFRACTION LA English DT Editorial Material C1 [Kaduk, J. A.] IIT, Chicago, IL 60616 USA. [Crowder, C. E.; Zhong, K.; Fawcett, T. G.] ICDD, Newtown Sq, PA 19073 USA. [Suchomel, M. R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Zhong, K (reprint author), ICDD, 12 Campus Blvd, Newtown Sq, PA 19073 USA. EM zhong@icdd.com NR 1 TC 0 Z9 0 U1 0 U2 2 PU J C P D S-INT CENTRE DIFFRACTION DATA PI NEWTOWN SQ PA 12 CAMPUS BLVD, NEWTOWN SQ, PA 19073-3273 USA SN 0885-7156 EI 1945-7413 J9 POWDER DIFFR JI Powder Diffr. PD JUN PY 2014 VL 29 IS 2 BP 202 EP 202 PG 1 WC Materials Science, Characterization & Testing SC Materials Science GA AJ2NZ UT WOS:000337495900026 ER PT J AU Hotchkiss, PJ Wixom, RR Tappan, AS Rosenberg, DM Zelenok, MD AF Hotchkiss, Peter J. Wixom, Ryan R. Tappan, Alexander S. Rosenberg, David M. Zelenok, Matthew D. TI Nanoparticle Triaminotrinitrobenzene Fabricated by Carbon Dioxide Assisted Nebulization with a Bubble Dryer SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE TATB; CAN-BD; Nanoparticles; Explosives ID VIBRATION-SPECTRA; 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE; SENSITIVITY; EXPLOSIVES; PARTICLES; RDX AB Carbon dioxide assisted nebulization with a bubble dryer (CAN-BD) was used to reformulate TATB, a notoriously insoluble material, into nanoparticles. The method is reproducible and produces particles consistently in the range of 100-400 nm with a mean of approx. 228 nm. Chemical analyses of the material do not indicate any decomposition or degradation of the TATB resulting from the process, and there does not appear to be any measurable amount of residual solvent or other impurities in the particles. C1 [Hotchkiss, Peter J.; Wixom, Ryan R.; Tappan, Alexander S.; Rosenberg, David M.; Zelenok, Matthew D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hotchkiss, PJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pjhotch@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Joint Department of Defense/Department of Energy Munitions Technology Development Program FX The authors would like to thank M. Barry Ritchey, M. Kathleen Alam and Laura Martin, and James Barnett and Christina Beppler for their assistance with SEM imaging, Raman spectroscopy, and mass spectrometry, respectively. 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. Financial support was provided in part by the Joint Department of Defense/Department of Energy Munitions Technology Development Program. NR 19 TC 0 Z9 1 U1 0 U2 7 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0721-3115 EI 1521-4087 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD JUN PY 2014 VL 39 IS 3 SI SI BP 402 EP 406 DI 10.1002/prep.201400028 PG 5 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA AJ4HY UT WOS:000337636700010 ER PT J AU Sullivan, KT Kuntz, JD Gash, AE AF Sullivan, Kyle T. Kuntz, Joshua D. Gash, Alexander E. TI The Role of Fuel Particle Size on Flame Propagation Velocity in Thermites with a Nanoscale Oxidizer SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE Thermites; Aluminum; Reaction mechanisms; Particle size; Flame propagation velocity ID RESOLVED MASS-SPECTROMETRY; ALUMINUM NANOPOWDERS; METAL-OXIDES; COMPOSITES; COMBUSTION; AL/CUO; NANOALUMINUM; TRANSITION; BEHAVIOR; RELEASE AB The effect of aluminum size on confined flame propagation velocities in thermite composites was investigated between 108 mm and 80 nm, and in all cases using nanometric copper oxide as the oxidizer. It was found that the velocity exhibited two distinct regimes; between 108 and 3.5 mu m the velocity scaled as the particle diameter to the -0.56 power, and becomes invariant of size below this. One explanation for the invariance is that the pressure-driven flow reaches some peak velocity, controlled by the pressure gradient, pore size, and fluid viscosity. Another explanation is that the system becomes limited by the internal gas heating rate, defined by the intrinsic kinetic time scale, and which can significantly impact the effective particle heating time. The particle heating time was calculated as a function of particle size, and as a function of gas heating rates ranging from 10(5)Ks(-1) to infinity. It was found that at any finite gas heating rate, there exists a critical particle diameter below which all sizes take the same amount of time to heat. This is a direct artifact of the characteristic thermal relaxation time scale; if the heating rate is not sufficiently fast, then the particle will rapidly equilibrate with the gas at each time step. The inverse of thermal relaxation time was used to calculate a critical heating rate defining a transition point, and which exhibits a dp2 scaling. This scaling sets a constraint on the kinetics, which must at least scale with dp(2) to remain in the size-dependent regime. C1 [Sullivan, Kyle T.; Kuntz, Joshua D.; Gash, Alexander E.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Sullivan, KT (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM sullivan34@llnl.gov FU Laboratory Directed Research and Development Strategic Initiative programs [11-SI-005, 14-SI-005]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was funded by the Laboratory Directed Research and Development Strategic Initiative programs 11-SI-005 and 14-SI-005, and performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 36 TC 6 Z9 6 U1 4 U2 32 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0721-3115 EI 1521-4087 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD JUN PY 2014 VL 39 IS 3 SI SI BP 407 EP 415 DI 10.1002/prep.201400020 PG 9 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA AJ4HY UT WOS:000337636700011 ER PT J AU Densmore, JM Sullivan, KT Gash, AE Kuntz, JD AF Densmore, John M. Sullivan, Kyle T. Gash, Alexander E. Kuntz, Joshua D. TI Expansion Behavior and Temperature Mapping of Thermites in Burn Tubes as a Function of Fill Length SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE Al-CuO thermite; Imaging pyrometry; Energetic materials; Burn tube ID AL/CUO NANOSCALE THERMITE; REACTION PROPAGATION; PYROMETRY; COMPOSITES; COMBUSTION; PRESSURE; ALUMINUM; AL/MOO3; POWDERS; AL AB The reaction of loosely-packed aluminum/copper oxide (Al/CuO) thermites in a 12 cm long acrylic burn tube was investigated as a function of the fill length from 2 to 10 cm. The velocity of the luminous front was measured both in the filled and unfilled region, and approached 1000 ms(-1) in the unfilled region, independent of the fill length. This value is approximately a factor of two higher than the fastest velocity measured in the filled region, 606 ms(-1), for the 10 cm filled tube. The velocity increase in the unfilled region ist likely due to the increased open porosity, which can support faster flow velocities for a given pressure gradient relative to that in the porous material. A high-speed color imaging pyrometer was used to thermally map the evolution of the flame in both regions. Near the luminous front in the filled section, the temperature was observed to rapidly increase in a 1-2 cm zone to a maximum value near 3200 K, and an average value near 3000 K was sustained in the wake well after the front passes and exits the tube. In partially-filled tubes, even for the lowest fill length of 2 cm, the intermediate and/or product species could be seen to expand forward and completely fill the tube with a sustained temperature of ca. 3000 K. This temperature did not decay during the expansion, suggesting that the material continues to react as it expands. The results raise several questions about what a burn tube experiment is really measuring; such as what fraction of the material has burned when the luminous front passes and what role open cracks or microstructures play in promoting transport. These questions are critically important towards developing a predictive capability for confined, loosely packed deflagrations. C1 [Densmore, John M.; Sullivan, Kyle T.; Gash, Alexander E.; Kuntz, Joshua D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Densmore, JM (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM densmore3@llnl.gov FU Laboratory Directed Research and Development Strategic Initiative programs [11-SI-005, 14-SI-005]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was funded by the Laboratory Directed Research and Development Strategic Initiative programs 11-SI-005 and 14-SI-005, and performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 22 TC 5 Z9 5 U1 2 U2 20 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0721-3115 EI 1521-4087 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD JUN PY 2014 VL 39 IS 3 SI SI BP 416 EP 422 DI 10.1002/prep.201400024 PG 7 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA AJ4HY UT WOS:000337636700012 ER PT J AU Kappagantula, K Crane, C Pantoya, M AF Kappagantula, Keerti Crane, Charles Pantoya, Michelle TI Factors Influencing Temperature Fields during Combustion Reactions SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE Thermites; Nanoparticle combustion; Aluminum; Infrared thermometry; Non-ideal explosives ID EXPLOSIVES; IGNITION; COMPOSITES; THERMITES; ALUMINUM; WAVES AB A unique, non-invasive diagnostic technique for characterizing two-dimensional thermal fields generated during the combustion of nanothermites was developed. Temperature resolved thermal images of the reactions were obtained using infrared imaging coupled with multiwave-length pyrometry. Thermal images of fuel rich aluminum/copper oxide (Al/CuO) and aluminum/polytetrafluoroethylene (Al/PTFE) mixtures embedded with different additives were analyzed and the principal factors affecting the spatial distribution of temperature during their combustion were identified. Results showed two distinct temperature zones during combustion: a hot zone surrounding the point of ignition, where the highest temperatures were recorded followed by a lower temperature region called the intermediate zone. Temperatures are plotted as a function of distance from the point of ignition such that inflection points distinguishing temperature gradients provide an indication of the range of the thermal influence. Gas generation and heat of combustion are principal factors affecting temperature fields: greater gas generation in addition to condensed phase products promotes higher temperatures in the far field. Results also indicate that faster reactions attain higher temperatures and more extensive temperature fields. This observation is attributed to greater momentum of the gas and condensed phase products projected from the hot zone that shift the inflection point farther. These results show that multiphase convection is a governing mechanism promoting thermal energy distributions. C1 [Kappagantula, Keerti; Pantoya, Michelle] Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA. [Crane, Charles] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Pantoya, M (reprint author), Texas Tech Univ, Dept Mech Engn, Corner 7th & Boston Ave, Lubbock, TX 79409 USA. EM michelle.pantoya@ttu.edu FU Army Research Office [W911 NF-11-1-0439] FX The authors are grateful for support from the Army Research Office contract number W911 NF-11-1-0439 and encouragement from our program manager, Dr. Ralph Anthenien. NR 28 TC 5 Z9 5 U1 2 U2 16 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0721-3115 EI 1521-4087 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD JUN PY 2014 VL 39 IS 3 SI SI BP 434 EP 443 DI 10.1002/prep.201300154 PG 10 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA AJ4HY UT WOS:000337636700014 ER PT J AU Bol'shakov, AA Mao, XL Perry, DL Russo, RE AF Bol'shakov, Alexander A. Mao, Xianglei Perry, Dale L. Russo, Richard E. TI Laser Ablation Molecular Isotopic Spectrometry for Rare Isotopes of the Light Elements SO SPECTROSCOPY LA English DT Article ID RATIO AB Laser ablation molecular isotopic spectrometry (LAMIS) involves measuring isotope-resolved molecular emission. Measurements of several key isotopes (hydrogen, boron, carbon, nitrogen, oxygen, and chlorine) in laser ablation plumes were demonstrated. Requirements for spectral resolution of the optical detection system could be significantly relaxed when the isotopic ratio was determined using chemometric regression models. Multiple applications of LAMIS are anticipated in the nuclear power industry, medical diagnostics and therapies, forensics, carbon sequestration, and agronomy studies. C1 [Bol'shakov, Alexander A.; Russo, Richard E.] Appl Spectra Inc, Fremont, CA 94538 USA. [Mao, Xianglei; Perry, Dale L.; Russo, Richard E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Russo, RE (reprint author), Appl Spectra Inc, Fremont, CA 94538 USA. EM rerusso@lbl.gov NR 10 TC 4 Z9 4 U1 2 U2 18 PU ADVANSTAR COMMUNICATIONS INC PI DULUTH PA 131 W 1ST STREET, DULUTH, MN 55802 USA SN 0887-6703 J9 SPECTROSCOPY-US JI Spectroscopy PD JUN PY 2014 VL 29 IS 6 BP 30 EP + PG 9 WC Spectroscopy SC Spectroscopy GA AJ5FU UT WOS:000337708900004 ER PT J AU O'Connor, BT Reid, OG Zhang, XR Kline, RJ Richter, LJ Gundlach, DJ DeLongchamp, DM Toney, MF Kopidakis, N Rumbles, G AF O'Connor, Brendan T. Reid, Obadiah G. Zhang, Xinran Kline, R. Joseph Richter, Lee J. Gundlach, David J. DeLongchamp, Dean M. Toney, Michael F. Kopidakis, Nikos Rumbles, Garry TI Morphological Origin of Charge Transport Anisotropy in Aligned Polythiophene Thin Films SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE organic electronics; conducting polymers; organic field-effect transistors; polymer alignment; P3HT ID FIELD-EFFECT TRANSISTORS; RESOLVED MICROWAVE CONDUCTIVITY; REGIOREGULAR POLY(3-HEXYLTHIOPHENE); CONJUGATED POLYMERS; HIGH-MOBILITY; MOLECULAR PACKING; CARRIER TRANSPORT; ALIGNMENT; CHAINS; TIME AB The morphological origin of anisotropic charge transport in uniaxially strain aligned poly(3-hexylthiophene) (P3HT) films is investigated. The macroscale field effect mobility anisotropy is measured in an organic thin film transistor (OTFT) configuration and compared to the local aggregate P3HT mobility anisotropy determined using time-resolved microwave conductivity (TRMC) measurements. The field effect mobility anisotropy in highly aligned P3HT films is substantially higher than the local mobility anisotropy in the aggregate P3HT. This difference is attributed to preferentially aligned polymer tie-chains at grain boundaries that contribute to macroscale charge transport anisotropy but not the local anisotropy. The formation of sharp grains between oriented crystalline P3HT, through tie chain removal by thermal annealing the strained aligned films, results in an order of magnitude drop in the measured field effect mobility for charge transport parallel to the strain direction. The field effect mobility anisotropy is cut in half while the local mobility anisotropy remains relatively constant. The local mobility anisotropy is found to be surprisingly low in the aligned films, suggesting that the - stacking direction supports charge carrier mobility on the same order of magnitude as that in the intrachain direction, possibly due to poor intrachain mobility through chain torsion. C1 [O'Connor, Brendan T.] N Carolina State Univ, Dept Mech & Aerosp Engn, Raleigh, NC 27695 USA. [Reid, Obadiah G.; Kopidakis, Nikos; Rumbles, Garry] Natl Renewable Energy Lab, Energy Sci Div, Golden, CO 80401 USA. [Zhang, Xinran; Kline, R. Joseph; Richter, Lee J.; DeLongchamp, Dean M.] NIST, Mat Measurement Lab, Gaithersburg, MD 20899 USA. [Gundlach, David J.] NIST, Phys Measurement Lab, Gaithersburg, MD 20899 USA. [Toney, Michael F.] Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. RP O'Connor, BT (reprint author), N Carolina State Univ, Dept Mech & Aerosp Engn, Raleigh, NC 27695 USA. EM btoconno@ncsu.edu; deand@nist.gov; garry.rumbles@nrel.gov RI O'Connor, Brendan/K-8640-2012; Kline, Regis/B-8557-2008; Zhang, Xinran/D-2908-2014; Kopidakis, Nikos/N-4777-2015; Richter, Lee/N-7730-2016; OI Richter, Lee/0000-0002-9433-3724; Rumbles, Garry/0000-0003-0776-1462 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; Solar Photochemistry Program, Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy; Laboratory Directed Research and Development (LDRD) Program at the National Renewable Energy Laboratory [06RF1002]; U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory; NIST/NRC; National Science Foundation [CMMI-1200340] FX The authors thank Kevin Yager for assistance with the GI-SAXS measurements. 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. Research was carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. The TRMC system described here, was funded by the Solar Photochemistry Program, Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. Portions of the experimental work were supported by the Laboratory Directed Research and Development (LDRD) Program at the National Renewable Energy Laboratory under task number 06RF1002. Work conducted at NREL was supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. B. O'Connor would like to acknowledge NIST/NRC post-doctoral fellowship and support of this work by the National Science Foundation under Grant No. CMMI-1200340. NR 48 TC 30 Z9 30 U1 9 U2 93 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUN PY 2014 VL 24 IS 22 BP 3422 EP 3431 DI 10.1002/adfm.201303351 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 AJ2MQ UT WOS:000337490600022 ER PT J AU Xu, T Lu, LY Zheng, TY Szarko, JM Schneider, A Chen, LX Yu, LP AF Xu, Tao Lu, Luyao Zheng, Tianyue Szarko, Jodi M. Schneider, Alexander Chen, Lin X. Yu, Luping TI Tuning the Polarizability in Donor Polymers with a Thiophenesaccharin Unit for Organic Photovoltaic Applications SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE structure-property relationships; low bandgap polymers; polymers; organic photovoltaics; solar cells ID HETEROJUNCTION SOLAR-CELLS; CONJUGATED POLYMERS; EFFICIENCY; PERFORMANCE; DESIGN; ENHANCEMENT; ADDITIVES AB This paper describes the synthesis of low bandgap copolymers incorporating an artificial sweetener derivative, N-alkyl, 3-oxothieno[3,4-d]isothiazole 1,1-dioxide (TID). This new TID unit is identical to the well-known thieno[3,4-c]pyrrole-4,6-dione (TPD) unit except that one carbonyl has been replaced by a sulfonyl group. Semi-empirical calculations on the local dipole moment change between ground and excited states (ge) in the repeating units of the new polymer indicate that the replacement of the carbonyl by a sulfonyl group leads to larger ge values. The resulting polymers exhibit a diminished power-conversion efficiency (PCE) compared to a bulk heterojunction (BHJ) solar cells with PC71BM as an acceptor, which extends the correlation between PCE and ge of single repeating units in p-type polymers to a new regime. Detailed studies show that the strongly electron-withdrawing sulfonyl group is detrimental to charge separation in alternating copolymers containing a TID unit. C1 [Xu, Tao; Lu, Luyao; Zheng, Tianyue; Schneider, Alexander; Yu, Luping] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Xu, Tao; Lu, Luyao; Zheng, Tianyue; Schneider, Alexander; Yu, Luping] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. [Szarko, Jodi M.; Chen, Lin X.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Chen, Lin X.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. RP Xu, T (reprint author), Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM lchen@anl.gov; lupingyu@uchicago.edu RI Lu, Luyao/J-6553-2015; Zheng, Tianyue/P-2674-2016; OI Szarko, Jodi/0000-0002-2181-9408 FU US National Science Foundation [NSF-SEP-1229089]; Air Force office of Scientific Research [FA9550-12-1-0061]; NSF MRSEC program at the University of Chicago; ANSER Center, an Energy Frontier Research Center - US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001059] FX T. Xu and L. Y. Lu contributed equally to this work. The authors are thankful for the support of the US National Science Foundation grant (NSF-SEP-1229089), Air Force office of Scientific Research (FA9550-12-1-0061), and NSF MRSEC program at the University of Chicago. This research is also partially supported by the ANSER Center, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award Number DE-SC0001059. NR 32 TC 15 Z9 15 U1 5 U2 62 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUN PY 2014 VL 24 IS 22 BP 3432 EP 3437 DI 10.1002/adfm.201303688 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 AJ2MQ UT WOS:000337490600023 ER PT J AU Wu, YH Ren, HY AF Wu, Yan-hua Ren, Hui-ying TI Analysis of realistic rough surface for its globally dominant parameters using continuous wavelets SO APPLIED MATHEMATICS AND MECHANICS-ENGLISH EDITION LA English DT Article DE continuous wavelet; Morlet wavelet; Mexican wavelet; roughness ID TURBULENT-FLOW; FACING STEP; MODELS AB Continuous Morlet and Mexican hat wavelets are used to analyze a highly irregular rough surface replicated from real turbine blades which are roughened by deposition of foreign materials. The globally dominant aspect ratio, length scale, and orientation of the roughness elements are determined. These parameters extracted from this highly irregular rough surface are important for the future studies of their effects on turbulent flows over this kind of rough surfaces encountered in Washington aerospace and power generating industries. C1 [Wu, Yan-hua] Nanyang Technol Univ, Sch Mech & Aerosp Engn, Singapore 639798, Singapore. [Ren, Hui-ying] Pacific NW Natl Lab, Hydrol Tech Grp, Richland, WA 99352 USA. RP Wu, YH (reprint author), Nanyang Technol Univ, Sch Mech & Aerosp Engn, Singapore 639798, Singapore. EM yanhuawu@ntu.edu.sg RI Wu, Yanhua/A-3839-2011 FU Wright State University, Dayton, OH, U. S. A. FX This study is supported by Wright State University, Dayton, OH, U. S. A. The authors thank Professor K. T. CHRISTENSEN at University of Illinois at Urbana-Champaign for providing the roughness topography data. NR 12 TC 0 Z9 1 U1 0 U2 2 PU SHANGHAI UNIV PI SHANGHAI PA 149 YANCHANG RD, SHANGHAI 200072, PEOPLES R CHINA SN 0253-4827 EI 1573-2754 J9 APPL MATH MECH-ENGL JI Appl. Math. Mech.-Engl. Ed. PD JUN PY 2014 VL 35 IS 6 BP 741 EP 748 DI 10.1007/s10483-014-1826-6 PG 8 WC Mathematics, Applied; Mechanics SC Mathematics; Mechanics GA AI8IV UT WOS:000337157300007 ER PT J AU Li, HS Han, Z Dimitrovski, AD Zhang, ZH AF Li, Husheng Han, Zhu Dimitrovski, Aleksandar D. Zhang, Zhenghao TI Data Traffic Scheduling for Cyber Physical Systems With Application in Voltage Control of Distributed Generations: A Hybrid System Framework SO IEEE SYSTEMS JOURNAL LA English DT Article DE Cyber physical systems (CPSs); hybrid systems; smart grid; traffic scheduling ID NETWORKED CONTROL-SYSTEMS; DESIGN; ALGORITHM; DELAYS AB The design of the communication infrastructure in cyber physical systems (CPSs) is of key importance since it conveys information fromsensors to controllers. Scheduling in the medium access control layer, i.e., the selection of active communication links, plays an important role in improving efficiency of communication in CPS. Different from traditional scheduling algorithms designed for pure data communication networks, the scheduling in CPS is for the purpose of optimizing the physical dynamics and needs to be designed with awareness of the dynamics. In this paper, the scheduling problem in CPS is fitted into the framework of the hybrid systems, in which different selections of links correspond to different dynamic modes. Both centralized and distributed scheduling algorithms are designed. The proposed algorithms are also applied in the background of voltage control of distributed generations (DGs). Numerical simulations show that the proposed framework and algorithms achieve good performances. C1 [Li, Husheng; Zhang, Zhenghao] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Li, Husheng] Kyung Hee Univ, Dept Elect & Radio Engn, Yongin 446701, South Korea. [Han, Zhu] Univ Houston, Dept Elect & Comp Engn, Houston, TX 77204 USA. [Dimitrovski, Aleksandar D.] Oak Ridge Natl Lab, Power & Energy Syst Grp, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. RP Li, HS (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. EM husheng@eecs.utk.edu; zhan2@mail.uh.edu RI Dimitrovski, Aleksandar/G-5897-2016 OI Dimitrovski, Aleksandar/0000-0001-9109-621X FU National Science Foundation [ECCS-0901425, CNS-1116826]; UT-ORNL Science Alliance JDRD Award FX Manuscript received April 9, 2012; accepted January 23, 2013. Date of publication February 25, 2014; date of current version May 22, 2014. This work was supported by the National Science Foundation under Grants ECCS-0901425, CNS-1116826, and UT-ORNL Science Alliance JDRD Award. NR 37 TC 1 Z9 2 U1 2 U2 26 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1932-8184 EI 1937-9234 J9 IEEE SYST J JI IEEE Syst. J. PD JUN PY 2014 VL 8 IS 2 BP 542 EP 552 DI 10.1109/JSYST.2013.2260915 PG 11 WC Computer Science, Information Systems; Engineering, Electrical & Electronic; Operations Research & Management Science; Telecommunications SC Computer Science; Engineering; Operations Research & Management Science; Telecommunications GA AI8IH UT WOS:000337155400022 ER PT J AU Jiang, TF Wu, CL Tamura, N Kunz, M Kim, BG Son, HY Suh, MS Im, J Huang, R Ho, PS AF Jiang, Tengfei Wu, Chenglin Tamura, Nobumichi Kunz, Martin Kim, Byoung Gyu Son, Ho-Young Suh, Min-Suk Im, Jay Huang, Rui Ho, Paul S. TI Study of Stresses and Plasticity in Through-Silicon Via Structures for 3D Interconnects by X-Ray Micro-Beam Diffraction SO IEEE TRANSACTIONS ON DEVICE AND MATERIALS RELIABILITY LA English DT Article DE TSV; X-ray microbeam diffraction; thermal stress; local plasticity ID THERMAL-STRESSES; THIN-FILMS; DEFORMATION; INTEGRATION; VIAS; ELECTROMIGRATION; MICRODIFFRACTION AB X-ray microbeam diffraction measurements were conducted for copper (Cu) through-silicon via (TSV) structures. This technique has the unique capability to measure stress and deformation in Cu and in silicon with submicron resolution, which enables direct observation of the local plasticity in Cu and the deformation induced by thermal stresses in TSV structures. Grain growth in Cu vias was found to play an important role in controlling the stress relaxation during thermal cycling and, thus, the residual stress and plasticity in the TSV structure. The implication of the local plasticity on TSV reliability is discussed based on the results from this study and finite element analysis. C1 [Jiang, Tengfei; Im, Jay; Ho, Paul S.] Univ Texas Austin, Microelect Res Ctr, Austin, TX 78712 USA. [Jiang, Tengfei; Im, Jay; Ho, Paul S.] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. [Wu, Chenglin; Huang, Rui] Univ Texas Austin, Dept Aerosp Engn & Engn Mech, Austin, TX 78712 USA. [Tamura, Nobumichi; Kunz, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Kim, Byoung Gyu; Son, Ho-Young; Suh, Min-Suk] SK Hynix Inc, Inchon 467866, South Korea. RP Jiang, TF (reprint author), Univ Texas Austin, Microelect Res Ctr, Austin, TX 78712 USA. EM ntamura@lbl.gov; hoyoung.son@sk.com; ruihuang@mail.utexas.edu; paulho@mail.utexas.edu RI Huang, Rui/B-1627-2008 OI Huang, Rui/0000-0003-0328-3862 FU Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the U.S. Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; University of California, Berkeley, CA, USA; NSF [0416243] FX We are thankful to SK Hynix Inc. for providing the TSV specimens. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the U.S. Department of Energy under Contract DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory and University of California, Berkeley, CA, USA. The move of the micro-diffraction program from ALS beamline 7.3.3 onto to the ALS superbend source 12.3.2 was enabled through NSF Grant 0416243. NR 21 TC 11 Z9 11 U1 1 U2 30 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1530-4388 EI 1558-2574 J9 IEEE T DEVICE MAT RE JI IEEE Trans. Device Mater. Reliab. PD JUN PY 2014 VL 14 IS 2 BP 698 EP 703 DI 10.1109/TDMR.2014.2310705 PG 6 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AI8CG UT WOS:000337132200015 ER PT J AU Tulip, FS Eteshola, E Desai, S Mostafa, S Roopa, S Evans, B Islam, SK AF Tulip, Fahmida S. Eteshola, Edward Desai, Suchita Mostafa, Salwa Roopa, Subramanian Evans, Boyd Islam, Syed Kamrul TI Direct Label-Free Electrical Immunodetection of Transplant Rejection Protein Biomarker in Physiological Buffer Using Floating Gate AlGaN/GaN High Electron Mobility Transistors SO IEEE TRANSACTIONS ON NANOBIOSCIENCE LA English DT Article DE AlGaN HEMT; immunoFET; interferon gamma; label-free; monokine; self-assembled monolayer (SAM) ID SELF-ASSEMBLED MONOLAYERS; COVALENT IMMOBILIZATION; CYTOKINES; GOLD; BIOMOLECULES; ANTIBODIES; CHEMOKINES; IMMUNOFET; MIG/CXCL9; LACCASE AB Monokine induced by interferon gamma (MIG/CXCL9) is used as an immune biomarker for early monitoring of transplant or allograft rejection. This paper demonstrates a direct electrical, label-free detection method of recombinant human MIG with anti-MIG IgG molecules in physiologically relevant buffer environment. The sensor platform used is a biologically modified GaN-based high electron mobility transistor (HEMT) device. Biomolecular recognition capability was provided by using high affinity anti-MIG monoclonal antibody to form molecular affinity interface receptors on short N-hydroxysuccinimide-ester functionalized disulphide (DSP) self-assembled monolayers (SAMs) on the gold sensing gate of the HEMT device. A floating gate configuration has been adopted to eliminate the influences of external gate voltage. Preliminary test results with the proposed chemically treated GaN HEMT biosensor show that MIG can be detected for a wide range of concentration varying from 5 ng/mL to 500 ng/mL. C1 [Tulip, Fahmida S.; Mostafa, Salwa; Islam, Syed Kamrul] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Eteshola, Edward; Desai, Suchita; Roopa, Subramanian] Ohio State Univ, Dept Biomed Engn, Columbus, OH 43210 USA. [Evans, Boyd] Oak Ridge Natl Lab, Nanoscale Sci & Technol Lab, Oak Ridge, TN 37830 USA. RP Tulip, FS (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. EM ftulip@utk.edu FU NIH/NIBIB Advanced Career Development grant [EB004960] FX The authors would like to express thanks to Professor Asif Khan's group at the University of South Carolina for supplying the devices to carry out the experiments. Dr. Kaustubh Adhikari of University College, London helped with the preparation of the standard deviation error graph. Dr. Edward Eteshola acknowledges support by a NIH/NIBIB Advanced Career Development grant number EB004960 for this work. Dr. Stephen C. Lee of the Ohio State University is acknowledged for valuable discussions and contributions. NR 30 TC 2 Z9 2 U1 4 U2 27 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1536-1241 EI 1558-2639 J9 IEEE T NANOBIOSCI JI IEEE Trans. Nanobiosci. PD JUN PY 2014 VL 13 IS 2 BP 138 EP 145 DI 10.1109/TNB.2014.2318234 PG 8 WC Biochemical Research Methods; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Science & Technology - Other Topics GA AI8CP UT WOS:000337133200011 PM 24803243 ER PT J AU Morales, MA Gergely, JR McMinis, J McMahon, JM Kim, J Ceperley, DM AF Morales, Miguel A. Gergely, John R. McMinis, Jeremy McMahon, Jeffrey M. Kim, Jeongnim Ceperley, David M. TI Quantum Monte Carlo Benchmark of Exchange-Correlation Functionals for Bulk Water SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID 1ST PRINCIPLES SIMULATIONS; HARTREE-FOCK PSEUDOPOTENTIALS; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; LIQUID WATER; ULTRASOFT PSEUDOPOTENTIALS; DENSITY FUNCTIONALS; ASYMPTOTIC-BEHAVIOR; ACCURACY AB The accurate description of the thermodynamic and dynamical properties of liquid water from first-principles is a very important challenge to the theoretical community. This represents not only a critical test of the predictive capabilities of first-principles methods, but it will also shed light into the microscopic properties of such an important substance. Density Functional Theory, the main workhorse in the field of first-principles methods, has been so far unable to properly describe water and its unusual properties in the liquid state. With the recent introduction of exact exchange and an improved description of dispersion interaction, the possibility of an accurate description of the liquid is finally within reach. Unfortunately, there is still no way to systematically improve exchange-correlation functionals, and the number of available functionals is very large. In this article we use highly accurate quantum Monte Carlo calculations to benchmark a selection of exchange-correlation functionals typically used in Density Functional Theory simulations of bulk water. This allows us to test the predictive capabilities of these functionals in water, giving us a way to choose optimal functionals for first-principles simulations. We compare and contrast the importance of different features of functionals, including the hybrid component, the vdW component, and their importance within different aspects of the PES. In addition, in order to correct the inaccuracies in the description of short-range interactions in the liquid, we test a recently introduced scheme that combines Density Functional Theory with Coupled Cluster calculations through a Many-Body expansion of the energy. C1 [Morales, Miguel A.; McMinis, Jeremy] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Gergely, John R.; McMahon, Jeffrey M.; Ceperley, David M.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Kim, Jeongnim] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Kim, Jeongnim] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Morales, MA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM moralessilva2@llnl.gov FU U.S. Department of Energy (DOE) at the Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Predictive Theory and Modeling for Materials and Chemical Science program by the Basic Energy Science, DOE; DOE [DE-FC02-06ER25794]; DOE Network for Ab Initio Many-Body Methods; Materials Science and Engineering division of BES, DOE [ERKCK03] FX M.A.M. and J.M. were supported by the U.S. Department of Energy (DOE) at the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and by the Predictive Theory and Modeling for Materials and Chemical Science program by the Basic Energy Science, DOE. J.G., J.M.M., and D.M.C. were supported by DOE DE-FC02-06ER25794 and by the DOE Network for Ab Initio Many-Body Methods. J.K. was supported by grant ERKCK03 from the Materials Science and Engineering division of BES, DOE. Computer time was provided by the US DOE INCITE program and by Lawrence Livermore National Laboratory. NR 76 TC 23 Z9 23 U1 3 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 JUN PY 2014 VL 10 IS 6 BP 2355 EP 2362 DI 10.1021/ct500129p PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AI8TG UT WOS:000337199300013 PM 26580755 ER PT J AU Henry, MD Nguyen, J Young, TR Bauer, T Olsson, RH AF Henry, Michael David Nguyen, Janet Young, Travis Ryan Bauer, Todd Olsson, Roy H., III TI Frequency Trimming of Aluminum Nitride Microresonators Using Rapid Thermal Annealing SO JOURNAL OF MICROELECTROMECHANICAL SYSTEMS LA English DT Article DE Microresonators; acoustic resonators; microelectromechanical devices; rapid thermal annealing; wafer scale integration ID RESONATORS AB To transition aluminum nitride (AlN) microresonator filters into a manufacturable technology, accurate control of the resonator frequency across a wafer is required. This paper describes a postfabrication rapid thermal anneal approach to trim resonator frequency over 27 000 ppm with an accuracy of 500 ppm. Measurements made on 22.4 MHz resonators indicate that the effect of annealing on the resonators saturates in 5 min and upshift the resonator frequency super linearly with temperature. We replicate the frequency trimming effect on hermetically sealed wafer level packaged devices to reduce the across-wafer frequency distribution from 22 000 to 4000 ppm. We confirm that this postannealing technique is permanent by temperature cycling the resonators from 50 degrees C to 125 degrees C. This technique provides a method to trim AlN microresonator frequency overcoming effects such as thin film variations, which are inherent to microsystems fabrication. C1 [Henry, Michael David; Nguyen, Janet; Young, Travis Ryan; Bauer, Todd; Olsson, Roy H., III] Sandia Natl Labs, MESA Fabricat Facil, Albuquerque, NM 87185 USA. RP Henry, MD (reprint author), Sandia Natl Labs, MESA Fabricat Facil, POB 5800, Albuquerque, NM 87185 USA. EM mdhenry@sandia.gov; jhnguye@sandia.gov; tryoung@sandia.gov; tmbaue@sandia.gov; rholsso@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. Subject Editor F. Ayazi. NR 19 TC 0 Z9 0 U1 1 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1057-7157 EI 1941-0158 J9 J MICROELECTROMECH S JI J. Microelectromech. Syst. PD JUN PY 2014 VL 23 IS 3 BP 620 EP 627 DI 10.1109/JMEMS.2013.2283801 PG 8 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA AI8BF UT WOS:000337128200018 ER PT J AU Jacobs, LJ Ulrich, TJ Qu, JM AF Jacobs, Laurence J. Ulrich, Timothy J. Qu, Jianmin TI Introduction to Special Issue on Nonlinear Ultrasonic Nondestructive Evaluation SO JOURNAL OF NONDESTRUCTIVE EVALUATION LA English DT Editorial Material C1 [Jacobs, Laurence J.] Georgia Inst Technol, Coll Engn, Atlanta, GA 30332 USA. [Ulrich, Timothy J.] Los Alamos Natl Lab, Geophys Grp EES 17, Los Alamos, NM 87545 USA. [Qu, Jianmin] Northwestern Univ, Dept Civil & Environm Engn, Evanston, IL 60208 USA. [Qu, Jianmin] Northwestern Univ, Dept Mech Engn, Evanston, IL 60208 USA. RP Jacobs, LJ (reprint author), Georgia Inst Technol, Coll Engn, Atlanta, GA 30332 USA. EM laurence.jacobs@coe.gatech.edu; tju@lanl.gov; j-qu@northwestern.edu RI Qu, Jianmin/E-3521-2010; OI Jacobs, Laurence/0000-0002-0358-7973 NR 0 TC 0 Z9 0 U1 0 U2 20 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0195-9298 EI 1573-4862 J9 J NONDESTRUCT EVAL JI J. Nondestruct. Eval. PD JUN PY 2014 VL 33 IS 2 BP 167 EP 168 DI 10.1007/s10921-014-0245-9 PG 2 WC Materials Science, Characterization & Testing SC Materials Science GA AI8LY UT WOS:000337168800001 ER PT J AU Riviere, J Remillieux, MC Ohara, Y Anderson, BE Haupert, S Ulrich, TJ Johnson, PA AF Riviere, J. Remillieux, M. C. Ohara, Y. Anderson, B. E. Haupert, S. Ulrich, T. J. Johnson, P. A. TI Dynamic Acousto-Elasticity in a Fatigue-Cracked Sample SO JOURNAL OF NONDESTRUCTIVE EVALUATION LA English DT Article DE Nondestructive evaluation; Nonlinear ultrasound; Nonlinear acoustics; Dynamic acousto-elasticity; Fatigue crack ID 3-PHONON INTERACTIONS; SPECTROSCOPY; SCATTERING; SOLIDS; SOUND AB Dynamic acousto-elasticity (DAE) provides a unique way to observe nonlinear elastic features over an entire dynamic stress cycle including hysteresis and memory effects, detailing the full nonlinear behavior under tension and compression. This supplemental information cannot be observed with conventional nonlinear ultrasonic methods such as wave frequency mixing or resonance measurements, since they measure average, bulk variations of modulus and attenuation versus strain level. Where prior studies have employed DAE in volumetrically nonlinear materials (e.g., rocks, bone with distributed micro-crack networks), here we report results of DAE on the application to a single localized nonlinear feature, a fatigue crack, to characterize the nonlinear elastic response in regions of the crack length, tip, and undamaged portions of an aluminum sample. Linear wave speed, linear attenuation and third order elastic moduli (i.e., nonlinear parameters) each indicate a sensitivity to the presence of the crack, though in unique manners. The localized nature of the DAE measurement and its potential for quantifying all of the third order elastic constants makes it a promising technique for both detecting cracks, as well as providing quantitative information on the effect of the cracks on the material integrity. C1 [Riviere, J.; Remillieux, M. C.; Anderson, B. E.; Ulrich, T. J.; Johnson, P. A.] Los Alamos Natl Lab, Geophys Grp MS D446, Los Alamos, NM 87545 USA. [Ohara, Y.] Tohoku Univ, Grad Sch Engn, Dept Mat Proc, Sendai, Miyagi 9808579, Japan. [Haupert, S.] Univ Paris 06, CNRS, Lab Imagerie Parametr, Paris, France. RP Riviere, J (reprint author), Los Alamos Natl Lab, Geophys Grp MS D446, POB 1663, Los Alamos, NM 87545 USA. EM riviere_jacques@yahoo.fr FU U.S. Dept. of Energy, Office of Basic Energy Science (Engineering and Geoscience); Office of Nuclear Energy (Fuel Cycle R&D, Used Fuel Disposition Campaign) FX This research was funded by the U.S. Dept. of Energy, Office of Basic Energy Science (Engineering and Geoscience) and Office of Nuclear Energy (Fuel Cycle R&D, Used Fuel Disposition Campaign). NR 30 TC 6 Z9 6 U1 1 U2 24 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0195-9298 EI 1573-4862 J9 J NONDESTRUCT EVAL JI J. Nondestruct. Eval. PD JUN PY 2014 VL 33 IS 2 BP 216 EP 225 DI 10.1007/s10921-014-0225-0 PG 10 WC Materials Science, Characterization & Testing SC Materials Science GA AI8LY UT WOS:000337168800007 ER PT J AU Haupert, S Riviere, J Anderson, B Ohara, Y Ulrich, TJ Johnson, P AF Haupert, Sylvain Riviere, Jacques Anderson, Brian Ohara, Yoshikazu Ulrich, T. J. Johnson, Paul TI Optimized Dynamic Acousto-elasticity Applied to Fatigue Damage and Stress Corrosion Cracking SO JOURNAL OF NONDESTRUCTIVE EVALUATION LA English DT Article DE Nonlinear acoustics; Dynamic acousto-elasticity; Micro-damage; Stress corrosion crack; Fatigue damage; Polycrystalline metals ID DISCERN MATERIAL DAMAGE; WAVE SPECTROSCOPY NEWS; HARMONIC-GENERATION; MATERIAL NONLINEARITY; INHOMOGENEOUS-MEDIA; ULTRASONIC-WAVES; TRABECULAR BONE; SLOW DYNAMICS; MICRO-DAMAGE; MODULATION AB The dynamic acousto-elasticity (DAE) technique uniquely provides the elastic (speed of sound and attenuation) behavior over a dynamic strain cycle. This technique has been applied successfully to highly nonlinear materials such as rock samples, where nonlinear elastic sources are present throughout the material. DAE has shown different nonlinear elastic behavior in tension and compression as well as early-time memory effects (i.e. fast and slow dynamics) that cannot be observed with conventional dynamic techniques (e.g. resonance or wave mixing measurements). The main objective of the present study is to evaluate if the DAE technique is also sensitive to (1) fatigue damage and (2) a localized stress corrosion crack. A secondary objective is to adapt the DAE experimental setup to perform measurements in smaller specimens (thickness of few cm). Several samples (intact aluminium, fatigued aluminium and steel with a stress corrosion crack) were investigated. Using signal processing not normally applied to DAE, we are able to measure the nonlinear elastic response of intact aluminium, distinguish the intact from the fatigued aluminium sample and localize different nonlinear features in the stress corrosion cracked steel sample. C1 [Haupert, Sylvain] UPMC Paris 6, CNRS UMR 7623, Lab Imagerie Parametr, F-75006 Paris, France. [Riviere, Jacques; Anderson, Brian; Ulrich, T. J.; Johnson, Paul] Los Alamos Natl Lab, Geophys Grp MS D446, Los Alamos, NM 87545 USA. [Ohara, Yoshikazu] Tohoku Univ, Grad Sch Engn, Dept Mat Proc, Aoba Ku, Sendai, Miyagi 9808579, Japan. RP Haupert, S (reprint author), UPMC Paris 6, CNRS UMR 7623, Lab Imagerie Parametr, 15 Rue Ecole Med, F-75006 Paris, France. EM sylvain.haupert@upmc.fr OI haupert, sylvain/0000-0003-4705-4527 FU U.S. Dept. of Energy, Nuclear Energy Fuel Cycle Research and Development program; (LDRD) at Los Alamos FX This work was supported in part by the U.S. Dept. of Energy, Nuclear Energy Fuel Cycle Research and Development program under the Used Fuel Disposition campaign as part of the storage demonstration and experimentation efforts and by Institutional Support (LDRD) at Los Alamos. NR 63 TC 5 Z9 5 U1 0 U2 17 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0195-9298 EI 1573-4862 J9 J NONDESTRUCT EVAL JI J. Nondestruct. Eval. PD JUN PY 2014 VL 33 IS 2 BP 226 EP 238 DI 10.1007/s10921-014-0231-2 PG 13 WC Materials Science, Characterization & Testing SC Materials Science GA AI8LY UT WOS:000337168800008 ER PT J AU Nakagawa, S Korneev, VA AF Nakagawa, Seiji Korneev, Valeri A. TI Effect of fracture compliance on wave propagation within a fluid-filled fracture SO JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA LA English DT Article ID INTERFACE AB Open and partially closed fractures can trap seismic waves. Waves propagating primarily within fluid in a fracture are sometimes called Krauklis waves, which are strongly dispersive at low frequencies. The behavior of Krauklis waves has previously been examined for an open, fluid-filled channel (fracture), but the impact of finite fracture compliance resulting from contacting asperities and porous fillings in the fracture (e.g., debris, proppants) has not been fully investigated. In this paper, a dispersion equation is derived for Krauklis wave propagation in a fracture with finite fracture compliance, using a modified linear-slip-interface model (seismic displacement-discontinuity model). The resulting equation is formally identical to the dispersion equation for the symmetric fracture interface wave, another type of guided wave along a fracture. The low-frequency solutions of the newly derived dispersion equations are in good agreement with the exact solutions available for an open fracture. The primary effect of finite fracture compliance on Krauklis wave propagation is to increase wave velocity and attenuation at low frequencies. These effects can be used to monitor changes in the mechanical properties of a fracture. C1 [Nakagawa, Seiji; Korneev, Valeri A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Nakagawa, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd,MS74R120, Berkeley, CA 94720 USA. RI Nakagawa, Seiji/F-9080-2015 OI Nakagawa, Seiji/0000-0002-9347-0903 FU Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences of the U.S. Department of Energy; Research Partnership to Secure Energy for America (RPSEA) through the Ultra-Deepwater and Unconventional Natural Gas and Other Petroleum Resources Research and Development Program; National Energy Technology Laboratory, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was supported by the Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences of the U.S. Department of Energy, and by the Research Partnership to Secure Energy for America (RPSEA) through the Ultra-Deepwater and Unconventional Natural Gas and Other Petroleum Resources Research and Development Program, as authorized by the U.S. Energy Policy Act (EPAct) of 2005, supported by the Assistant Secretary for Fossil Energy, Office of Natural Gas and Petroleum Technology, through the National Energy Technology Laboratory, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 21 TC 2 Z9 2 U1 1 U2 5 PU ACOUSTICAL SOC AMER AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0001-4966 EI 1520-8524 J9 J ACOUST SOC AM JI J. Acoust. Soc. Am. PD JUN PY 2014 VL 135 IS 6 BP 3186 EP 3197 DI 10.1121/1.4875333 PG 12 WC Acoustics; Audiology & Speech-Language Pathology SC Acoustics; Audiology & Speech-Language Pathology GA AI7VX UT WOS:000337110200024 PM 24907784 ER PT J AU Franceschi, C Campisi, J AF Franceschi, Claudio Campisi, Judith TI Chronic Inflammation (Inflammaging) and Its Potential Contribution to Age-Associated Diseases SO JOURNALS OF GERONTOLOGY SERIES A-BIOLOGICAL SCIENCES AND MEDICAL SCIENCES LA English DT Article DE Inflammaging; Biomarkers; IL-6 ID NF-KAPPA-B; CELLULAR SENESCENCE; SECRETORY PHENOTYPE; CELLS; IMMUNOSENESCENCE; DEGENERATION; PERSPECTIVES; LONGEVITY; DECLINE; SYSTEM AB Human aging is characterized by a chronic, low-grade inflammation, and this phenomenon has been termed as "inflammaging." Inflammaging is a highly significant risk factor for both morbidity and mortality in the elderly people, as most if not all age-related diseases share an inflammatory pathogenesis. Nevertheless, the precise etiology of inflammaging and its potential causal role in contributing to adverse health outcomes remain largely unknown. The identification of pathways that control age-related inflammation across multiple systems is therefore important in order to understand whether treatments that modulate inflammaging may be beneficial in old people. The session on inflammation of the Advances in Gerosciences meeting held at the National Institutes of Health/National Institute on Aging in Bethesda on October 30 and 31, 2013 was aimed at defining these important unanswered questions about inflammaging. This article reports the main outcomes of this session. C1 [Franceschi, Claudio] Univ Bologna, Interdept Ctr Luigi Galvani, Dept Expt Diagnost & Specialty Med, DIMES, I-40126 Bologna, Italy. [Franceschi, Claudio] Univ Bologna, Interdept Ctr Luigi Galvani, CIG, I-40126 Bologna, Italy. [Franceschi, Claudio] IRCCS Inst Neurol Sci, Bologna, Italy. [Franceschi, Claudio] CNR ISOF, Bologna, Italy. [Campisi, Judith] Buck Inst Res Aging, Novato, CA USA. [Campisi, Judith] Lawrence Berkeley Natl Lab, Life Sci Div, Berkeley, CA USA. RP Franceschi, C (reprint author), Univ Bologna, Interdept Ctr Luigi Galvani, Dept Expt Diagnost & Specialty Med, DIMES, Via S Giacomo 12, I-40126 Bologna, Italy. EM claudio.franceschi@unibo.it FU European Union [259679, 600803, 266486] FX The research leading to these results has received funding from the European Union's Seventh Framework Programme (FP7/2007-2011) under grant agreement no. 259679 (IDEAL); ICT-2011-9, no. 600803 (MISSION-T2D); and KBBE 2010-14, no. 266486 (NU-AGE). NR 39 TC 211 Z9 214 U1 10 U2 47 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 1079-5006 EI 1758-535X J9 J GERONTOL A-BIOL JI J. Gerontol. Ser. A-Biol. Sci. Med. Sci. PD JUN PY 2014 VL 69 SU 1 BP S4 EP S9 DI 10.1093/gerona/glu057 PG 6 WC Geriatrics & Gerontology; Gerontology SC Geriatrics & Gerontology GA AI8BT UT WOS:000337130200002 PM 24833586 ER PT J AU Cho, JH Picraux, ST AF Cho, Jeong-Hyun Picraux, S. Tom TI Silicon Nanowire Degradation and Stabilization during Lithium Cycling by SEI Layer Formation SO NANO LETTERS LA English DT Article DE Lithium-ion battery; solid electrolyte interphase (SEI); silicon nanowire; fracture; surface morphology; current density ID LI-ION BATTERIES; SOLID-ELECTROLYTE INTERPHASE; SIZE-DEPENDENT FRACTURE; ELECTROCHEMICAL LITHIATION; HIGH-PRECISION; IN-SITU; ANODES; CELLS; NANOPARTICLES; PERFORMANCE AB Silicon anodes are of great interest for advanced lithium-ion battery applications due to their order of magnitude higher energy capacity than graphite. Below a critical diameter, silicon nanowires enable the similar to 300% volume expansion during lithiation without pulverization. However, their high surface-to-volume ratio is believed to contribute to fading of their capacity retention during cycling due to solid-electrolyte-interphase (SE!) growth on surfaces. To better understand this issue, previous studies have examined the composition and morphology of the SEI layers. Here we report direct measurements of the reduction in silicon nanowire diameter with number of cycles due to SEI formation. The results reveal significantly greater Si loss near the nanowire base. From the change in silicon volume we can accurately predict the measured specific capacity reduction for silicon nanowire half cells. The enhanced Si loss near the nanowire/metal current collector interface suggests new strategies for stabilizing nanowires for long cycle life performance. C1 [Cho, Jeong-Hyun] Univ Minnesota, Dept Elect & Comp Engn, Minneapolis, MN 55455 USA. [Cho, Jeong-Hyun; Picraux, S. Tom] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Cho, JH (reprint author), Univ Minnesota, Dept Elect & Comp Engn, Minneapolis, MN 55455 USA. EM jcho@umn.edu; picraux@lanl.gov FU Nanostructures for Electrical Energy Storage, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DESC0001160]; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; University of Minnesota, Twin Cities FX This material is based upon work supported as part of the Nanostructures 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 under Award Number DESC0001160. The work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Science user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. J.H.C. acknowledges support from a start-up fund at the University of Minnesota, Twin Cities. NR 34 TC 27 Z9 28 U1 13 U2 181 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 JUN PY 2014 VL 14 IS 6 BP 3088 EP 3095 DI 10.1021/nl500130e 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 AJ0JP UT WOS:000337337100018 PM 24773368 ER PT J AU Tongay, S Fan, W Kang, J Park, J Koldemir, U Suh, J Narang, DS Liu, K Ji, J Li, JB Sinclair, R Wu, JQ AF Tongay, Sefaattin Fan, Wen Kang, Jun Park, Joonsuk Koldemir, Unsal Suh, Joonki Narang, Deepa S. Liu, Kai Ji, Jie Li, Jingbo Sinclair, Robert Wu, Junqiao TI Tuning Interlayer Coupling in Large-Area Heterostructures with CVD-Grown MoS2 and WS2 Monolayers SO NANO LETTERS LA English DT Article DE Monolayer; heterostructure; MoS2/WS2; interlayer coupling; 2D materials ID 2-DIMENSIONAL SEMICONDUCTORS; ELECTRICAL CONTROL; ATOMIC LAYERS; PHOTOLUMINESCENCE; EMISSION; EXCITONS; WSE2 AB Band offsets between different monolayer transition metal dichalcogenides are expected to efficiently separate charge carriers or rectify charge flow, offering a mechanism for designing atomically thin devices and probing exotic two-dimensional physics. However, developing such large-area heterostructures has been hampered by challenges in synthesis of monolayers and effectively coupling neighboring layers. Here, we demonstrate large-area (>tens of micrometers) heterostructures of CVD-grown WS2, and MoS2 monolayers, where the interlayer interaction is externally tuned from noncoupling to strong coupling. Following this trend, the luminescence spectrum of the heterostructures evolves from an additive line profile where each layer contributes independently to a new profile that is dictated by charge transfer and band normalization between the WS2 and MoS2 layers. These results and findings open up venues to creating new material systems with rich functionalities and novel physical effects. C1 [Tongay, Sefaattin; Fan, Wen; Suh, Joonki; Liu, Kai; Wu, Junqiao] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Fan, Wen; Ji, Jie] Univ Sci & Technol China, Dept Thermal Sci & Energy Engn, Hefei 230027, Anhui, Peoples R China. [Kang, Jun; Li, Jingbo; Wu, Junqiao] Chinese Acad Sci, Inst Semicond, Beijing 100083, Peoples R China. [Park, Joonsuk; Koldemir, Unsal; Sinclair, Robert] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Narang, Deepa S.] Alliance Univ, ACED, Dept Phys, Bangalore 562106, Karnataka, India. [Wu, Junqiao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Tongay, S (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM tongay@berkeley.edu; wuj@berkeley.edu RI Liu, Kai/A-4754-2012; Kang, Jun/F-7105-2011; Wu, Junqiao/G-7840-2011 OI Liu, Kai/0000-0002-0638-5189; Kang, Jun/0000-0003-4788-0028; Wu, Junqiao/0000-0002-1498-0148 FU National Science Foundation [DMR-1306601]; National Science Foundation of China (NSFC) [51206158]; China Postdoctoral Science Foundation [2011M500112] FX This work was supported by the National Science Foundation under Grant DMR-1306601. W.F. and J.J. acknowledge support from the National Science Foundation of China (NSFC) under Contract No. 51206158, and the "First-Class General Financial Grant from the China Postdoctoral Science Foundation" under Contract No. 2011M500112. NR 31 TC 143 Z9 144 U1 59 U2 514 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 JUN PY 2014 VL 14 IS 6 BP 3185 EP 3190 DI 10.1021/nl500515q 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 AJ0JP UT WOS:000337337100032 PM 24845201 ER PT J AU Xin, HLL Alayoglu, S Tao, RZ Genc, A Wang, CM Kovarik, L Stach, EA Wang, LW Salmeron, M Somorjai, GA Zheng, HM AF Xin, Huolin L. Alayoglu, Selim Tao, Runzhe Genc, Arda Wang, Chong-Min Kovarik, Libor Stach, Eric A. Wang, Lin-Wang Salmeron, Miquel Somorjai, Gabor A. Zheng, Haimei TI Revealing the Atomic Restructuring of Pt-Co Nanoparticles SO NANO LETTERS LA English DT Article DE Catalysis; environmental TEM; in situ TEM; strain mapping; atomic-resolution TEM ID SHELL NANOPARTICLES; IN-SITU; CATALYSTS; DISPLACEMENT; SURFACES; OXYGEN; PD AB We studied Pt-Co bimetallic nanoparticles during oxidation in O-2 and reduction in H-2 atmospheres using an aberration corrected environmental transmission electron microscope. During oxidation Co migrates to the nanoparticle surface forming a strained epitaxial CoO film. It subsequently forms islands via strain relaxation. The atomic restructuring is captured as a function of time. During reduction cobalt migrates back to the bulk, leaving a monolayer of platinum on the surface. C1 [Xin, Huolin L.; Alayoglu, Selim; Tao, Runzhe; Wang, Lin-Wang; Salmeron, Miquel; Somorjai, Gabor A.; Zheng, Haimei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Alayoglu, Selim; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Genc, Arda] FEI Co, Hillsboro, OR 97124 USA. [Wang, Chong-Min; Kovarik, Libor] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Salmeron, Miquel; Zheng, Haimei] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Zheng, HM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM hmzheng@lbl.gov RI Stach, Eric/D-8545-2011; Foundry, Molecular/G-9968-2014; Xin, Huolin/E-2747-2010; Kovarik, Libor/L-7139-2016 OI Stach, Eric/0000-0002-3366-2153; Xin, Huolin/0000-0002-6521-868X; FU U.S. Department of Energy (DOE) Office of Biological and Environmental Research; DOE [DE-AC05-76RLO1830]; DOE Office of Basic Sciences (BES) [DE-AC02-98CH10886]; DOE BES [DE-AC02-05CH11231]; SERC at LBNL; Chemical Imaging Initiative at PNNL under Laboratory Directed Research and Development Program at PNNL; Office of Basic Energy Sciences, Chemical Science Division of the U.S. DOE [DE-AC02-05CH11231]; H.Z.'s Early Career Research Program under DOE Office of Science FX Part of in situ environmental TEM experiments was carried out at William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U.S. Department of Energy (DOE) Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for DOE under Contract DE-AC05-76RLO1830. Part of the in situ work was conducted at the Center for Functional Nanomaterials (CFN), Brookhaven National Laboratory (BNL), which is supported by the DOE Office of Basic Sciences (BES), under Contract No. DE-AC02-98CH10886. We thank Dr. James Ciston and Rosa E. Diaz for their help during the initial data acquisition at BNL. We performed ex situ TEM experiments at National Center for Electron Microscopy (NCEM) of the Lawrence Berkeley National Laboratory (LBNL), which is supported by the DOE BES under Contract No. DE-AC02-05CH11231. H.L.X. was supported by SERC at LBNL. C.M.W. and L.K. were supported by the Chemical Imaging Initiative at PNNL, which was under the Laboratory Directed Research and Development Program at PNNL. M.S. was supported by the Office of Basic Energy Sciences, Chemical Science Division of the U.S. DOE under Contrast No. DE-AC02-05CH11231. R.T. is supported by H.Z.'s Early Career Research Program under the DOE Office of Science. H.Z. was a residency faculty of SinBeRise program of BEARS at University of California, Berkeley during July 2013-Jan. 2014. NR 33 TC 40 Z9 40 U1 13 U2 144 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 JUN PY 2014 VL 14 IS 6 BP 3203 EP 3207 DI 10.1021/nl500553a 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 AJ0JP UT WOS:000337337100035 PM 24762053 ER PT J AU Niezgoda, JS Yap, E Keene, JD McBride, JR Rosenthal, SJ AF Niezgoda, J. Scott Yap, Eugene Keene, Joseph D. McBride, James R. Rosenthal, Sandra J. TI Plasmonic CuxInyS2 Quantum Dots Make Better Photovoltaics Than Their Nonplasmonic Counterparts SO NANO LETTERS LA English DT Article DE Quantum dots; surface plasmon; photovoltaics; low toxicity; CuInS2 ID SENSITIZED SOLAR-CELLS; ENHANCED PHOTOCATALYTIC ACTIVITY; ABSORPTION ENHANCEMENT; CU2-XSE NANOCRYSTALS; METAL NANOPARTICLES; CUINS2 NANOCRYSTALS; PERFORMANCE; RESONANCES; SEMICONDUCTORS; NANOWIRES AB A synthetic approach has recently been developed which results in CuxInyS2 quantum dots (QDs) possessing localized surface plasmon resonance (LSPR) modes in the near-infrared (NIR) frequencies.(1) In this study, we investigate the potential benefits of near-field plasmonic effects centered upon light absorbing nanoparticles in a photovoltaic system by developing and verifying nonplasmonic counterparts as an experimental control. Simple QD-sensitized solar cells (QD-SSCs) were assembled which show an 11.5% relative increase in incident photon conversion efficiency (IPCE) achieved in the plasmon-enhanced devices. We attribute this increase in IPCE to augmented charge excitation stemming from near-field "antenna" effects in the plasmonic CuxInyS2 QD-SSCs. This study represents the first of its kind; direct interrogation of the influence of plasmon-on-semiconductor architectures with respect to excitonic absorption in photovoltaic systems. C1 [Niezgoda, J. Scott; Yap, Eugene; Keene, Joseph D.; McBride, James R.] Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA. [Rosenthal, Sandra J.] Vanderbilt Univ, Dept Interdisciplinary Mat Sci, Nashville, TN 37235 USA. [Rosenthal, Sandra J.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Rosenthal, Sandra J.] Vanderbilt Univ, Dept Pharmacol Chem & Biomol Engn, Nashville, TN 37235 USA. [Niezgoda, J. Scott; Keene, Joseph D.; McBride, James R.] Vanderbilt Univ, Vanderbilt Inst Nanoscale Sci & Engn, Nashville, TN 37235 USA. [Rosenthal, Sandra J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Rosenthal, SJ (reprint author), Vanderbilt Univ, Dept Interdisciplinary Mat Sci, 221 Kirkland Hall, Nashville, TN 37235 USA. EM sandra.j.rosenthal@vanderbilt.edu RI McBride, James/D-2934-2012; Keene, Joseph/F-8874-2010 OI McBride, James/0000-0003-0161-7283; FU National Science Foundation [EPS-1004083] FX This work, including HRTEM and EDS-STEM images acquired using an FEI Tecnai Osiris electron microscope, was supported by a grant from the National Science Foundation (EPS-1004083) (TN-SCORE). Also, we would like to extend special thanks to Dr. Donald Stec for assistance in collecting NMR spectroscopy data. NR 55 TC 35 Z9 35 U1 5 U2 108 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 JUN PY 2014 VL 14 IS 6 BP 3262 EP 3269 DI 10.1021/nl500645k 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 AJ0JP UT WOS:000337337100044 PM 24793489 ER PT J AU Li, X Nichols, VM Zhou, DP Lim, C Pau, GSH Bardeen, CJ Tang, ML AF Li, Xin Nichols, Valerie M. Zhou, Dapeng Lim, Cynthia Pau, George Shu Heng Bardeen, Christopher J. Tang, Ming L. TI Observation of Multiple, Identical Binding Sites in the Exchange of Carboxylic Acid Ligands with CdS Nanocrystals SO NANO LETTERS LA English DT Article DE Nanocrystals; FRET; ligand exchange; binding constant ID RESONANCE ENERGY-TRANSFER; QUANTUM DOTS; SEMICONDUCTOR NANOCRYSTALS; COLLOIDAL NANOCRYSTALS; OPTICAL GAIN; PHOTOLUMINESCENCE; LUMINESCENCE; CHEMISTRY; NANOPARTICLES; MECHANISMS AB We study ligand exchange between the carboxylic acid group and 5.0 nm oleic-acid capped CdS nanocrystals (NCs) using fluorescence resonance energy transfer (FRET). This is the first measurement of the initial binding events between cadmium chalcogenide NCs and carboxylic acid groups. The binding behavior can be described as an interaction between a ligand with single binding group and a substrate with multiple, identical binding sites. Assuming Poissonian binding statistics, our model fits both steady-state and time-resolved photoluminescence (SSPL and TRPL, respectively) a CdS nanoparticle has an average of 3.0 new carboxylic acid ligands and data well. A modified Langmuir isotherm reveals that a CdS nanoparticle has an average of 3.0 new carboxylic acid ligands and binding constant, K-a, of 3.4 x 10(5) M-1. C1 [Li, Xin; Nichols, Valerie M.; Zhou, Dapeng; Lim, Cynthia; Bardeen, Christopher J.; Tang, Ming L.] Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. [Pau, George Shu Heng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA. RP Tang, ML (reprint author), Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. EM mltang@ucr.edu RI Pau, George Shu Heng/F-2363-2015 OI Pau, George Shu Heng/0000-0002-9198-6164 FU National Science Foundation [CHE-1152677]; U.S. Department of Education GAANN [P200A120170] FX This work was supported by the National Science Foundation under Grant CHE-1152677. V.M.N. acknowledges support through a U.S. Department of Education GAANN Award, P200A120170. We thank U.C. Riverside. We thank Dr. David K. Britt for advice and suggestions on making CdS NCs. NR 45 TC 13 Z9 13 U1 4 U2 63 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 JUN PY 2014 VL 14 IS 6 BP 3382 EP 3387 DI 10.1021/nl500885t 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 AJ0JP UT WOS:000337337100062 PM 24810426 ER PT J AU Liu, Y Fan, FF Wang, JW Liu, Y Chen, HL Jungjohann, KL Xu, YH Zhu, YJ Bigio, D Zhu, T Wang, CS AF Liu, Ying Fan, Feifei Wang, Jiangwei Liu, Yang Chen, Hailong Jungjohann, Katherine L. Xu, Yunhua Zhu, Yujie Bigio, David Zhu, Ting Wang, Chunsheng TI In Situ Transmission Electron Microscopy Study of Electrochemical Sodiation and Potassiation of Carbon Nanofibers SO NANO LETTERS LA English DT Article DE Sodium-ion batteries; potassium-ion batteries; carbon nanofibers; sodiation; potassiation; crack ID SODIUM-ION BATTERIES; HIGH-CAPACITY; AMORPHOUS-SILICON; RATE CAPABILITY; ANODE MATERIALS; INSERTION; LITHIATION; LITHIUM; NANOWIRES; NANOPARTICLES AB Carbonaceous materials have great potential for applications as anodes of alkali-metal ion batteries, such as Na-ion batteries and K-ion batteries (NIB and KIBs). We conduct an in situ study of the electrochemically driven sodiation and potassiation of individual carbon nanofibers (CNFs) by transmission electron microscopy (TEM). The CNFs are hollow and consist of a bilayer wall with an outer layer of disordered-carbon (d-C) enclosing an inner layer of crystalline-carbon (c-C). The d-C exhibits about three times volume expansion of the c-C after full sodiation or potassiation, thus suggesting a much higher storage capacity of Na or K ions in d-C than c-C. For the bilayer CNF-based electrode, a steady sodium capacity of 245 mAh/g is measured with a Coulombic efficiency approaching 98% after a few initial cycles. The in situ TEM experiments also reveal the mechanical degradation of CNFs through formation of longitudinal cracks near the c-C/d-C interface during sodiation and potassiation. Geometrical changes of the tube are explained by a chemomechanical model using the anisotropic sodiation/potassiation strains in c-C and d-C. Our results provide mechanistic insights into the electrochemical reaction, microstructure evolution and mechanical degradation of carbon-based anodes during sodiation and potassiation, shedding light onto the development of carbon-based electrodes for NIBs and KIBs. C1 [Liu, Ying; Xu, Yunhua; Zhu, Yujie; Wang, Chunsheng] Univ Maryland, Dept Chem & Biomol Engn, College Pk, MD 20742 USA. [Fan, Feifei; Chen, Hailong; Zhu, Ting] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Wang, Jiangwei] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Liu, Yang; Jungjohann, Katherine L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Bigio, David] Univ Maryland, Dept Mech Engn, College Pk, MD 20742 USA. RP Zhu, T (reprint author), Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. EM ting.zhu@me.gatech.edu; cswang@umd.edu RI Wang, Jiangwei/F-8249-2011; Zhu, Ting/A-2206-2009; Wang, Chunsheng/H-5767-2011; Chen, Hailong/B-3998-2011; OI Wang, Jiangwei/0000-0003-1191-0782; Wang, Chunsheng/0000-0002-8626-6381; Chen, Hailong/0000-0001-8283-2860; Fan, Feifei/0000-0003-0455-4900 FU Maryland Nano Center; NispLab; NSF [CMMI-1100205]; Lockheed Martin Corporation for the U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We acknowledge the support of the Maryland Nano Center and its NispLab. T.Z. acknowledges the support of the NSF Grant CMMI-1100205. In addition, this work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 38 TC 46 Z9 46 U1 34 U2 191 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 JUN PY 2014 VL 14 IS 6 BP 3445 EP 3452 DI 10.1021/nl500970a 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 AJ0JP UT WOS:000337337100072 PM 24823874 ER PT J AU Chuang, HJ Tan, XB Ghimire, NJ Perera, MM Chamlagain, B Cheng, MMC Yan, JQ Mandrus, D Tomanek, D Zhou, ZX AF Chuang, Hsun-Jen Tan, Xuebin Ghimire, Nirmal Jeevi Perera, Meeghage Madusanka Chamlagain, Bhim Cheng, Mark Ming-Cheng Yan, Jiaqiang Mandrus, David Tomanek, David Zhou, Zhixian TI High Mobility WSe2 p- and n-Type Field-Effect Transistors Contacted by Highly Doped Graphene for Low-Resistance Contacts SO NANO LETTERS LA English DT Article DE MoS2; WSe2; field-effect transistor; graphene; Schottky barrier; ionic-liquid gate ID TRANSITION-METAL DICHALCOGENIDES; ELECTRONIC TRANSPORT; MOS2; HETEROSTRUCTURES; MONOLAYER; GATE; HYSTERESIS; INSULATOR; CRYSTALS AB We report the fabrication of both n-type and p-type WSe2 field-effect transistors with hexagonal boron nitride passivated channels and ionic-liquid (IL)-gated graphene contacts. Our transport measurements reveal intrinsic channel properties including a metal-insulator transition at a characteristic conductivity close to the quantum conductance e(2)/h, a high ON/OFF ratio of >10(7) at 170 K, and large electron and hole mobility of mu approximate to 200 cm(2) V-1 s(-1) at 160 K. Decreasing the temperature to 77 K increases mobility of electrons to similar to 330 cm(2) V-1 s(-1) and that of holes to similar to 270 cm(2) V-1 s(-1). We attribute our ability to observe the intrinsic, phonon-limited conduction in both the electron and hole channels to the drastic reduction of the Schottky barriers between the channel and the graphene contact electrodes using IL gating. We elucidate this process by studying a Schottky diode consisting of a single graphene/WSe2 Schottky junction. Our results indicate the possibility to utilize chemically or electrostatically highly doped graphene for versatile, flexible, and transparent low-resistance ohmic contacts to a wide range of quasi-2D semiconductors. C1 [Chuang, Hsun-Jen; Perera, Meeghage Madusanka; Chamlagain, Bhim; Zhou, Zhixian] Wayne State Univ, Dept Phys & Astron, Detroit, MI 48201 USA. [Tan, Xuebin; Cheng, Mark Ming-Cheng] Wayne State Univ, Dept Elect & Comp Engn, Detroit, MI 48202 USA. [Ghimire, Nirmal Jeevi; Yan, Jiaqiang; Mandrus, David] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Ghimire, Nirmal Jeevi; Yan, Jiaqiang; Mandrus, David] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Perera, Meeghage Madusanka; Tomanek, David] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Zhou, ZX (reprint author), Wayne State Univ, Dept Phys & Astron, Detroit, MI 48201 USA. EM zxzhou@wayne.edu RI Tomanek, David/B-3275-2009; Perera, Meeghage /D-6100-2017; OI Tomanek, David/0000-0003-1131-4788; Chamlagain, Bhim/0000-0002-3412-8323 FU NSF [ECCS-1128297, DMR-1308436]; NSF CAREER Award [1055932]; MRI Award [1229635]; Wayne State University; Materials and Engineering Division, Office of Basic Energy Sciences, U.S. Department of Energy; National Science Foundation [EEC-0832785] FX This work was supported by NSF (ECCS-1128297 and DMR-1308436). X.T. and M.M.C.C. were supported by NSF CAREER Award (1055932) MRI Award (1229635) and Wayne State University. N.J.G., J.Y., and D.M. were supported by Materials and Engineering Division, Office of Basic Energy Sciences, U.S. Department of Energy. D.T. was supported by the National Science Foundation Cooperative Agreement #EEC-0832785, titled "NSEC: Center for High-rate Nano-manufacturing". We would also like to thank Dr. Ir. Niko Tombros for the technical advice on building the microcrystal transfer apparatus used in this work. NR 52 TC 94 Z9 94 U1 41 U2 273 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 JUN PY 2014 VL 14 IS 6 BP 3594 EP 3601 DI 10.1021/nl501275p 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 AJ0JP UT WOS:000337337100096 PM 24844426 ER PT J AU Winkler, CR Jablonski, ML Ashraf, K Damodaran, AR Jambunathan, K Hart, JL Wen, JGG Miller, DJ Martin, LW Salahuddin, S Taheri, ML AF Winkler, Christopher R. Jablonski, Michael L. Ashraf, Khalid Damodaran, Anoop R. Jambunathan, Karthik Hart, James L. Wen, Jianguo G. Miller, Dean J. Martin, Lane W. Salahuddin, Sayeef Taheri, Mitra L. TI Real-Time Observation of Local Strain Effects on Nonvolatile Ferroelectric Memory Storage Mechanisms SO NANO LETTERS LA English DT Article DE In situ TEM; ferroelectric domain switching; multiferroic; strain ID PHOTOEMISSION ELECTRON-MICROSCOPY; ROOM-TEMPERATURE; BIFEO3 FILMS; THIN-FILM; MULTIFERROICS; DISLOCATIONS; MAGNETISM; DOMAINS; DEVICES AB We use in situ transmission electron microscopy to directly observe, at high temporal and spatial resolution, the interaction of ferroelectric domains and dislocation networks within BiFeO3 thin films. The experimental observations are compared with a phase field model constructed to simulate the dynamics of domains in the presence of dislocations and their resulting strain fields. We demonstrate that a global network of misfit dislocations at the film-substrate interface can act as nucleation sites and slow down domain propagation in the vicinity of the dislocations. Networks of individual threading dislocations emanating from the film-electrode interface play a more dramatic role in pinning domain motion. These dislocations may be responsible for the domain behavior in ferroelectric thin-film devices deviating from conventional Kolmogorov-Avrami-Ishibashi dynamics toward a Nucleation Limited Switching model. C1 [Winkler, Christopher R.; Jablonski, Michael L.; Hart, James L.; Taheri, Mitra L.] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Ashraf, Khalid; Salahuddin, Sayeef] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Damodaran, Anoop R.; Jambunathan, Karthik; Martin, Lane W.] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Damodaran, Anoop R.; Jambunathan, Karthik; Martin, Lane W.] Univ Illinois, Engn & Mat Res Lab, Urbana, IL 61801 USA. [Wen, Jianguo G.; Miller, Dean J.] Argonne Natl Lab, Electron Microscopy Ctr, Argonne, IL 60439 USA. RP Taheri, ML (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. EM mtaheri@coe.drexel.edu RI Martin, Lane/H-2409-2011; OI Martin, Lane/0000-0003-1889-2513; Rama Damodaran, Anoop/0000-0002-2094-9956 FU National Science Foundation [CMMI-1031403, 1017575, DMR-1149062]; Office of Naval Research [N00014-1101-0296, N00014-10-10525]; United States Department of Education; Drexel University through the GAANN-DREAM fellowship [P200A060117]; Army Research Office [W911NF-10-1-0482]; Department of Energy's Office of Science FX M.L.T, J.L.H., M.L.J., and C.R.W. gratefully acknowledge support from the National Science Foundation under grant CMMI-1031403 as well as from the Office of Naval Research under grant N00014-1101-0296. C.R.W. acknowledges support from the United States Department of Education and Drexel University through the GAANN-DREAM fellowship under contract P200A060117. K.A. and S.S. acknowledge support from National Science Foundation grant # 1017575. K.J. and L.W.M. acknowledge support from the Office of Naval Research under grant N00014-10-10525. A.R.D. and L.W.M. acknowledge support from the National Science Foundation under grant DMR-1149062 and the Army Research Office under grant W911NF-10-1-0482. Experiments at UIUC were carried out in part in the Materials Research Laboratory Central Facilities. Aberration corrected TEM experiments were performed in the Argonne National Laboratory's Electron Microscopy Center, supported by the Department of Energy's Office of Science. Electron microscopy experiments were conducted in Drexel University's Centralized Research Facilities. The numerical simulations following phase field model was performed at the National Energy Research Computing Center under a NISE grant. NR 35 TC 5 Z9 5 U1 3 U2 75 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 JUN PY 2014 VL 14 IS 6 BP 3617 EP 3622 DI 10.1021/nl501304e 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 AJ0JP UT WOS:000337337100099 PM 24801618 ER PT J AU Qian, F Wang, HY Ling, YC Wang, GM Thelen, MP Li, Y AF Qian, Fang Wang, Hanyu Ling, Yichuan Wang, Gongming Thelen, Michael P. Li, Yat TI Photoenhanced Electrochemical Interaction between Shewanella and a Hematite Nanowire Photoanode SO NANO LETTERS LA English DT Article DE Photoanode; semiconductor nanowires; hematite; microbial fuel cells; Shewanella oneidensis MR-1 ID MICROBIAL FUEL-CELLS; WASTE-WATER TREATMENT; MICROORGANISMS; ELECTRICITY; GENERATION; BACTERIA AB Here we report the investigation of interplay between light, a hematite nanowire-arrayed photoelectrode, and Shewanella oneidensis MR-1 in a solar-assisted microbial photoelectrochemical system (solar MPS). Whole cell electrochemistry and microbial fuel cell (MFC) characterization of Shewanella oneidensis strain MR-1 showed that these cells cultured under (semi)anaerobic conditions expressed substantial c-type cytochrome outer membrane proteins, exhibited well-defined redox peaks, and generated bioelectricity in a MFC device. Cyclic voltammogram studies of hematite nanowire electrodes revealed active electron transfer at the hematite/cell interface. Notably, under a positive bias and light illumination, the hematite electrode immersed in a live cell culture was able to produce 150% more photocurrent than that in the abiotic control of medium or dead culture, suggesting a photoenhanced electrochemical interaction between hematite and Shewanella. The enhanced photocurrent was attributed to the additional redox species associated with MR-1 cells that are more thermodynamically favorable to be oxidized than water. Long-term operation of the hematite solar MPS with light on/off cycles showed stable current generation up to 2 weeks. Fluorescent optical microscope and scanning electron microscope imaging revealed that the top of the hematite nanowire arrays were covered by a biofilm, and iron determination colorimetric assay revealed 11% iron loss after a 10-day operation. To our knowledge, this is the first report on interfacing a photoanode directly with electricigens in a MFC system. Such a system could open up new possibilities in solar-microbial device that can harvest solar energy and recycle biomass simultaneously to treat wastewater, produce electricity, and chemical fuels in a self-sustained manner. C1 [Qian, Fang; Thelen, Michael P.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Wang, Hanyu; Ling, Yichuan; Wang, Gongming; Li, Yat] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. RP Li, Y (reprint author), Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. EM yli@chemistry.ucsc.edu RI Wang, Gongming/C-4555-2012; Thelen, Michael/G-2032-2014; Ling, Yichuan/I-9567-2016; OI Thelen, Michael/0000-0002-2479-5480; Li, Yat/0000-0002-8058-2084 FU NSF [CBET 1034222]; LDRD under U.S. Department of Energy by Lawrence Livermore National Laboratory [11-LW-054, DE-AC52-07NA27344] FX We thank helpful discussion with Dr. Yongqin Jiao, Dr. Catherine Lacayo, and Professor Chad Saltikov. Y.L. acknowledges the support of this work by NSF (CBET 1034222), and F.Q. and M.P.T. acknowledge support from LDRD Project 11-LW-054, performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 31 TC 27 Z9 28 U1 16 U2 139 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 JUN PY 2014 VL 14 IS 6 BP 3688 EP 3693 DI 10.1021/nl501664n 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 AJ0JP UT WOS:000337337100110 PM 24875432 ER PT J AU Rinehart, D Johnson, CH Nguyen, T Ivanisevic, J Benton, HP Lloyd, J Arkin, AP Deutschbauer, AM Patti, GJ Siuzdak, G AF Rinehart, Duane Johnson, Caroline H. Thomas Nguyen Ivanisevic, Julijana Benton, H. Paul Lloyd, Jessica Arkin, Adam P. Deutschbauer, Adam M. Patti, Gary J. Siuzdak, Gary TI Metabolomic data streaming for biology-dependent data acquisition SO NATURE BIOTECHNOLOGY LA English DT Letter ID WORKFLOW C1 [Rinehart, Duane; Johnson, Caroline H.; Thomas Nguyen; Ivanisevic, Julijana; Benton, H. Paul; Siuzdak, Gary] Scripps Res Inst, Dept Chem, La Jolla, CA 92037 USA. [Rinehart, Duane; Johnson, Caroline H.; Thomas Nguyen; Ivanisevic, Julijana; Benton, H. Paul; Siuzdak, Gary] Scripps Res Inst, Dept Cell & Mol Biol, La Jolla, CA 92037 USA. [Rinehart, Duane; Johnson, Caroline H.; Thomas Nguyen; Ivanisevic, Julijana; Benton, H. Paul; Siuzdak, Gary] Scripps Res Inst, Dept Integrat Struct & Computat Biol, La Jolla, CA 92037 USA. [Rinehart, Duane; Johnson, Caroline H.; Thomas Nguyen; Ivanisevic, Julijana; Benton, H. Paul; Siuzdak, Gary] Scripps Res Inst, Ctr Metabol, La Jolla, CA 92037 USA. [Lloyd, Jessica; Patti, Gary J.] Washington Univ, Dept Chem, St Louis, MO 63130 USA. [Lloyd, Jessica; Patti, Gary J.] Washington Univ, Dept Genet, St Louis, MO 63110 USA. [Lloyd, Jessica; Patti, Gary J.] Washington Univ, Sch Med, Dept Med, St Louis, MO 63110 USA. [Arkin, Adam P.; Deutschbauer, Adam M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Rinehart, D (reprint author), Scripps Res Inst, Dept Chem, La Jolla, CA 92037 USA. EM gjpattij@washu.edu; siuzdak@scripps.edu RI Arkin, Adam/A-6751-2008; OI Arkin, Adam/0000-0002-4999-2931; Ivanisevic, Julijana/0000-0001-8267-2705 FU NCI NIH HHS [R01 CA170737]; NEI NIH HHS [R24 EY017540]; NHLBI NIH HHS [RC1 HL101034]; NIA NIH HHS [L30 AG0038036, L30 AG038036]; NIDA NIH HHS [P01 DA026146]; NIEHS NIH HHS [R01 ES022181]; NIMH NIH HHS [P30 MH062261] NR 11 TC 10 Z9 10 U1 2 U2 20 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1087-0156 EI 1546-1696 J9 NAT BIOTECHNOL JI Nat. Biotechnol. PD JUN PY 2014 VL 32 IS 6 BP 524 EP 527 DI 10.1038/nbt.2927 PG 5 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AI9EV UT WOS:000337233800010 PM 24911492 ER PT J AU Galdzicki, M Clancy, KP Oberortner, E Pocock, M Quinn, JY Rodriguez, CA Roehner, N Wilson, ML Adam, L Anderson, JC Bartley, BA Beal, J Chandran, D Chen, J Densmore, D Endy, D Grunberg, R Hallinan, J Hillson, NJ Johnson, JD Kuchinsky, A Lux, M Misirli, G Peccoud, J Plahar, HA Sirin, E Stan, GB Villalobos, A Wipat, A Gennari, JH Myers, CJ Sauro, HM AF Galdzicki, Michal Clancy, Kevin P. Oberortner, Ernst Pocock, Matthew Quinn, Jacqueline Y. Rodriguez, Cesar A. Roehner, Nicholas Wilson, Mandy L. Adam, Laura Anderson, J. Christopher Bartley, Bryan A. Beal, Jacob Chandran, Deepak Chen, Joanna Densmore, Douglas Endy, Drew Gruenberg, Raik Hallinan, Jennifer Hillson, Nathan J. Johnson, Jeffrey D. Kuchinsky, Allan Lux, Matthew Misirli, Goksel Peccoud, Jean Plahar, Hector A. Sirin, Evren Stan, Guy-Bart Villalobos, Alan Wipat, Anil Gennari, John H. Myers, Chris J. Sauro, Herbert M. TI The Synthetic Biology Open Language (SBOL) provides a community standard for communicating designs in synthetic biology SO NATURE BIOTECHNOLOGY LA English DT Article ID SYSTEMS; CIRCUITS; TOOL; SOFTWARE; FUTURE; MODELS AB The re-use of previously validated designs is critical to the evolution of synthetic biology from a research discipline to an engineering practice. Here we describe the Synthetic Biology Open Language (SBOL), a proposed data standard for exchanging designs within the synthetic biology community. SBOL represents synthetic biology designs in a community-driven, formalized format for exchange between software tools, research groups and commercial service providers. The SBOL Developers Group has implemented SBOL as an XML/RDF serialization and provides software libraries and specification documentation to help developers implement SBOL in their own software. We describe early successes, including a demonstration of the utility of SBOL for information exchange between several different software tools and repositories from both academic and industrial partners. As a community-driven standard, SBOL will be updated as synthetic biology evolves to provide specific capabilities for different aspects of the synthetic biology workflow. C1 [Galdzicki, Michal; Gennari, John H.] Univ Washington, Seattle, WA 98195 USA. [Clancy, Kevin P.] Life Technol, Synthet Biol Unit, Carlsbad, CA USA. [Oberortner, Ernst; Densmore, Douglas] Boston Univ, Dept Elect & Comp Engn, Boston, MA 02215 USA. [Pocock, Matthew; Hallinan, Jennifer; Misirli, Goksel; Wipat, Anil] Newcastle Univ, Sch Comp Sci, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. [Quinn, Jacqueline Y.; Rodriguez, Cesar A.; Chandran, Deepak] Autodesk, Autodesk Res, San Francisco, CA USA. [Roehner, Nicholas] Univ Utah, Salt Lake City, UT USA. [Wilson, Mandy L.; Adam, Laura] Virginia Tech, Virginia Bioinformat Inst, Blacksburg, VA USA. [Anderson, J. Christopher] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Bartley, Bryan A.; Sauro, Herbert M.] Univ Washington, Dept Bioengn, Seattle, WA 98195 USA. [Beal, Jacob] Raytheon BBN Technol, Cambridge, MA USA. [Chen, Joanna; Hillson, Nathan J.; Plahar, Hector A.] Joint Bioenergy Inst JBEI, Fuels Synth Div, Berkeley, CA USA. [Endy, Drew] Stanford Univ, Dept Bioengn, Stanford, CA 94305 USA. [Gruenberg, Raik] Univ Montreal, IRIC, Montreal, PQ, Canada. [Johnson, Jeffrey D.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Kuchinsky, Allan] Agilent Technol, Mol Tools Lab, Santa Clara, CA USA. [Sirin, Evren] Clark & Parsia, Arlington, MA USA. [Stan, Guy-Bart] Univ London Imperial Coll Sci Technol & Med, London, England. [Villalobos, Alan] DNA2 0, Menlo Pk, CA USA. [Myers, Chris J.] Univ Utah, Dept Elect & Comp Engn, Salt Lake City, UT USA. RP Sauro, HM (reprint author), Univ Washington, Dept Bioengn, Seattle, WA 98195 USA. EM hsauro@uw.edu RI adam, laura/J-2642-2014; Grunberg, Raik/A-1839-2011; Peccoud, Jean/A-2374-2008; Lux, Matthew/A-3602-2010; OI Grunberg, Raik/0000-0001-9532-6043; Peccoud, Jean/0000-0001-7649-6127; Endy, Drew/0000-0001-6952-8098; Beal, Jacob/0000-0002-1663-5102 FU Microsoft Computational Challenges in Synthetic Biology Initiative; Autodesk, Inc.; National Science Foundation [0527023, 1147158, EF-0850100, CCF-1218095]; National Library of Medicine [R41 LM010745, T15 LM007442]; National Human Genome Research Institute [R42 HG006737]; Agilent Technologies' Applications and Core Technology University Research (ACT-UR) program; Defense Advanced Research Projects Agency (DARPA) [HR0011-10-C-0168]; Engineering and Physical Sciences Research Council EPSRC) - Flowers Consortium project [EP/J02175X/1]; EPSRC - Centre for Synthetic Biology and Innovation at Imperial College [EP/G036004/1]; Office of Science, Office of Biological and Environmental Research; US Department of Energy [DE-AC02-05CH11231] FX We acknowledge H. Huang for her technical support on augmenting the Clotho platform for SBOL compliance. This work was initiated by an award from the Microsoft Computational Challenges in Synthetic Biology Initiative (2006). Subsequently the effort was supported by a variety of funding sources including Autodesk, Inc., National Science Foundation (0527023, 1147158, EF-0850100 and CCF-1218095), National Library of Medicine (R41 LM010745, T15 LM007442), National Human Genome Research Institute (R42 HG006737), Agilent Technologies' Applications and Core Technology University Research (ACT-UR) program, Defense Advanced Research Projects Agency (DARPA; HR0011-10-C-0168), the Engineering and Physical Sciences Research Council EPSRC)-funded Flowers Consortium project (EP/J02175X/1) and EPSRC-funded Centre for Synthetic Biology and Innovation at Imperial College (EP/G036004/1). The portion of this work conducted by the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research, the US Department of Energy (contract no. DE-AC02-05CH11231). The views and conclusions contained in this document are those of the authors and not the US government or any agency thereof. We would like to dedicate this paper to the memory of Allan Kuchinsky, who made significant contributions to SBOL through his support at our workshop meetings and critically to the development of libSBOLj. NR 39 TC 69 Z9 70 U1 3 U2 42 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1087-0156 EI 1546-1696 J9 NAT BIOTECHNOL JI Nat. Biotechnol. PD JUN PY 2014 VL 32 IS 6 BP 545 EP 550 DI 10.1038/nbt.2891 PG 6 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AI9EV UT WOS:000337233800016 PM 24911500 ER PT J AU Sekhon, RS Hirsch, CN Childs, KL Breitzman, MW Kell, P Duvick, S Spalding, EP Buell, CR de Leon, N Kaeppler, SM AF Sekhon, Rajandeep S. Hirsch, Candice N. Childs, Kevin L. Breitzman, Matthew W. Kell, Paul Duvick, Susan Spalding, Edgar P. Buell, C. Robin de Leon, Natalia Kaeppler, Shawn M. TI Phenotypic and Transcriptional Analysis of Divergently Selected Maize Populations Reveals the Role of Developmental Timing in Seed Size Determination SO PLANT PHYSIOLOGY LA English DT Article ID KERNEL WATER RELATIONS; GRAIN WEIGHT; RNA-SEQ; DEVELOPING ENDOSPERM; WHEAT ENDOSPERM; ORGAN SIZE; ZEA-MAYS; ARABIDOPSIS; GROWTH; YIELD AB Seed size is a component of grain yield and an important trait in crop domestication. To understand the mechanisms governing seed size in maize (Zea mays), we examined transcriptional and developmental changes during seed development in populations divergently selected for large and small seed size from Krug, a yellow dent maize cultivar. After 30 cycles of selection, seeds of the large seed population (KLS30) have a 4.7-fold greater weight and a 2.6-fold larger size compared with the small seed population (KSS30). Patterns of seed weight accumulation from the time of pollination through 30 d of grain filling showed an earlier onset, slower rate, and earlier termination of grain filling in KSS30 relative to KLS30. This was further supported by transcriptome patterns in seeds from the populations and derived inbreds. Although the onset of key genes was earlier in small seeds, similar maximum transcription levels were observed in large seeds at later stages, suggesting that functionally weaker alleles, rather than transcript abundance, may be the basis of the slow rate of seed filling in KSS30. Gene coexpression networks identified several known genes controlling cellularization and proliferation as well as novel genes that will be useful candidates for biotechnological approaches aimed at altering seed size in maize and other cereals. C1 [Sekhon, Rajandeep S.; Breitzman, Matthew W.; de Leon, Natalia; Kaeppler, Shawn M.] Univ Wisconsin, US DOE, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Sekhon, Rajandeep S.; Breitzman, Matthew W.; Kell, Paul; de Leon, Natalia; Kaeppler, Shawn M.] Univ Wisconsin, Dept Agron, Madison, WI 53706 USA. [Spalding, Edgar P.] Univ Wisconsin, Dept Bot, Madison, WI 53706 USA. [Hirsch, Candice N.] Univ Minnesota, Dept Agron & Plant Genet, St Paul, MN 55108 USA. [Childs, Kevin L.; Buell, C. Robin] Michigan State Univ, US DOE, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Childs, Kevin L.; Buell, C. Robin] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. [Duvick, Susan] USDA ARS, Corn Insects & Crop Genet Res Unit, Ames, IA 50011 USA. RP Kaeppler, SM (reprint author), Univ Wisconsin, US DOE, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. EM smkaeppl@wisc.edu RI Spalding, Edgar/A-9034-2008; Childs, Kevin/C-9513-2014; OI Spalding, Edgar/0000-0002-6890-4765; Childs, Kevin/0000-0002-3680-062X; Kaeppler, Shawn/0000-0002-5964-1668 FU Department of Energy Great Lakes Bioenergy Research Center [DE-FC02-07ER64494]; National Science Foundation [IOS-1031416] FX This work was supported by the Department of Energy Great Lakes Bioenergy Research Center (grant no. DE-FC02-07ER64494) and the National Science Foundation (grant no. IOS-1031416). NR 78 TC 12 Z9 12 U1 2 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 JUN PY 2014 VL 165 IS 2 BP 658 EP 669 DI 10.1104/pp.114.235424 PG 12 WC Plant Sciences SC Plant Sciences GA AI9HC UT WOS:000337242700015 PM 24710068 ER PT J AU Jang, DH Anderson-Cook, CM Kim, Y AF Jang, Dae-Heung Anderson-Cook, Christine M. Kim, Youngil TI Correlation-Based r-plot for Evaluating Supersaturated Designs SO QUALITY AND RELIABILITY ENGINEERING INTERNATIONAL LA English DT Article DE supersaturated designs; correlation structure; near-orthogonality; r-value; r-plot ID CONSTRUCTION; ALGORITHMS AB Orthogonality or near-orthogonality is an important property in the design of experiments. Supersaturated designs are natural when we wish to investigate the main effects for a large number of factors but are restricted to a small number of runs. These supersaturated designs, by definition, cannot satisfy pairwise orthogonality of all the factor columns in the design matrix. Hence, we need a means to evaluate the degree of near-orthogonality of different alternative supersaturated designs. It is usual to use numerical measures that condense the rich information from many pairwise column measures to assess the degree of orthogonality of given supersaturated designs, but we propose using graphical methods to better understand patterns between sets of columns and evaluate the degree of near-orthogonality to compare and select between alternative supersaturated designs. The methods are illustrated with a number of diverse examples to illustrate the information that can be extracted from the summary. Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Jang, Dae-Heung] Pukyong Natl Univ, Dept Stat, Pusan, South Korea. [Anderson-Cook, Christine M.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. [Kim, Youngil] Chung Ang Univ, Dept Informat Syst, Seoul 156756, South Korea. RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. EM candcook@gmail.com NR 17 TC 2 Z9 2 U1 0 U2 1 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 JUN PY 2014 VL 30 IS 4 BP 503 EP 512 DI 10.1002/qre.1503 PG 10 WC Engineering, Multidisciplinary; Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA AI9WL UT WOS:000337294700006 ER PT J AU Melikechi, N Mezzacappa, A Cousin, A Lanza, NL Lasue, J Clegg, SM Berger, G Wiens, RC Maurice, S Tokar, RL Bender, S Forni, O Breves, EA Dyar, MD Frydenvang, J Delapp, D Gasnault, O Newsom, H Ollila, AM Lewin, E Clark, BC Ehlmann, BL Blaney, D Fabre, C AF Melikechi, N. Mezzacappa, A. Cousin, A. Lanza, N. L. Lasue, J. Clegg, S. M. Berger, G. Wiens, R. C. Maurice, S. Tokar, R. L. Bender, S. Forni, O. Breves, E. A. Dyar, M. D. Frydenvang, J. Delapp, D. Gasnault, O. Newsom, H. Ollila, A. M. Lewin, E. Clark, B. C. Ehlmann, B. L. Blaney, D. Fabre, C. CA MSL Sci Team TI Correcting for variable laser-target distances of laser-induced breakdown spectroscopy measurements with ChemCam using emission lines of Martian dust spectra SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE LIBS; Mars; Dust; Remote sensing; Geological analysis ID INSTRUMENT SUITE; MARS; MINERALS; ELEMENTS; LIBS; UNIT AB As part of the Mars Science Laboratory, the ChemCam instrument acquires remote laser induced breakdown spectra at distances that vary between 1.56 m and 7 m. This variation in distance affects the intensities of the measured LIBS emission lines in non-trivial ways. To determine the behavior of a LIBS emission line with distance, it is necessary to separate the effects of many parameters such as laser energy, laser spot size, target homogeneity, and optical collection efficiency. These parameters may be controlled in a laboratory on Earth but for field applications or in space this is a challenge. In this paper, we show that carefully selected ChemCam LIBS emission lines acquired from the Martian dust can be used to build an internal proxy spectroscopic standard. This in turn, allows for a direct measurement of the effects of the distance of various LIBS emission lines and hence can be used to correct ChemCam LIBS spectra for distance variations. When tested on pre-launch LIBS calibration data acquired under Martian-like conditions and with controlled and well-calibrated targets, this approach yields much improved agreement between targets observed at various distances. This work lays the foundation for future implementation of automated routines to correct ChemCam spectra for differences caused by variable distance. (C) 2014 Elsevier B.V. All rights reserved. C1 [Melikechi, N.; Mezzacappa, A.] Delaware State Univ, Opt Sci Ctr Appl Res, Dover, DE 19901 USA. [Cousin, A.; Lanza, N. L.; Clegg, S. M.; Wiens, R. C.; Delapp, D.] Los Alamos Natl Lab, Los Alamos, NM USA. [Lasue, J.; Berger, G.; Maurice, S.; Forni, O.; Gasnault, O.] Univ Toulouse 3, IRAP, F-31062 Toulouse, France. [Tokar, R. L.; Bender, S.] Planetary Sci Inst, Flagstaff, AZ USA. [Breves, E. A.; Dyar, M. D.] Mt Holyoke Coll, Dept Astron, S Hadley, MA 01075 USA. [Frydenvang, J.] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Newsom, H.; Ollila, A. M.] Univ New Mexico, Alburquerque, NM USA. [Lewin, E.] Univ Grenoble 1, CNRS, Inst Sci Terre, Grenoble, France. [Clark, B. C.] Space Sci Inst, Boulder, CO USA. [Ehlmann, B. L.] CALTECH, Pasadena, CA 91125 USA. [Blaney, D.] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Fabre, C.] CNRS, Vandoeuvre Les Nancy, France. RP Melikechi, N (reprint author), Delaware State Univ, Opt Sci Ctr Appl Res, 1200 North DuPont Highway, Dover, DE 19901 USA. RI Rodriguez-Manfredi, Jose/L-8001-2014; BERGER, Gilles/F-7118-2016; Ramos, Miguel/K-2230-2014; Frydenvang, Jens/D-4781-2013; LEWIN, Eric/F-1451-2017; OI Rodriguez-Manfredi, Jose/0000-0003-0461-9815; Ramos, Miguel/0000-0003-3648-6818; Frydenvang, Jens/0000-0001-9294-1227; Clegg, Sam/0000-0002-0338-0948 NR 31 TC 9 Z9 9 U1 6 U2 30 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0584-8547 J9 SPECTROCHIM ACTA B JI Spectroc. Acta Pt. B-Atom. Spectr. PD JUN 1 PY 2014 VL 96 BP 51 EP 60 DI 10.1016/j.sab.2014.04.004 PG 10 WC Spectroscopy SC Spectroscopy GA AI8ZG UT WOS:000337214900007 ER PT J AU Etminan, N Dreier, R Buchholz, BA Beseoglu, K Bruckner, P Matzenauer, C Torner, JC Brown, RD Steiger, HJ Haggi, D Macdonald, RL AF Etminan, Nima Dreier, Rita Buchholz, Bruce A. Beseoglu, Kerim Bruckner, Peter Matzenauer, Christian Torner, James C. Brown, Robert D., Jr. Steiger, Hans-Jakob Haeggi, Daniel Macdonald, R. Loch TI Age of Collagen in Intracranial Saccular Aneurysms SO STROKE LA English DT Article DE intracranial aneurysms; natural history; radiocarbon dating; risk factors ID UNRUPTURED CEREBRAL ANEURYSMS; TERM-FOLLOW-UP; NATURAL-HISTORY; COMPUTATIONAL MODEL; RISK-FACTORS; BOMB C-14; TURNOVER; GROWTH; AMS; HEMODYNAMICS AB Background and Purpose-The chronological development and natural history of cerebral aneurysms (CAs) remain incompletely understood. We used C-14 birth dating of a main constituent of CAs, that is, collagen type I, as an indicator for biosynthesis and turnover of collagen in CAs in relation to human cerebral arteries to investigate this further. Methods-Forty-six ruptured and unruptured CA samples from 43 patients and 10 cadaveric human cerebral arteries were obtained. The age of collagen, extracted and purified from excised CAs, was estimated using 14C birth dating and correlated with CA and patient characteristics, including the history of risk factors associated with atherosclerosis and potentially aneurysm growth and rupture. Results-Nearly all CA samples contained collagen type I, which was <5 years old, irrespective of patient age, aneurysm size, morphology, or rupture status. However, CAs from patients with a history of risk factors (smoking or hypertension) contained significantly younger collagen than CAs from patients with no risk factors (mean, 1.6 +/- 1.2 versus 3.9 +/- 3.3 years, respectively; P=0.012). CAs and cerebral arteries did not share a dominant structural protein, such as collagen type I, which would allow comparison of their collagen turnover. Conclusions-The abundant amount of relatively young collagen type I in CAs suggests that there is an ongoing collagen remodeling in aneurysms, which is significantly more rapid in patients with risk factors. These findings challenge the concept that CAs are present for decades and that they undergo only sporadic episodes of structural change. C1 [Etminan, Nima; Beseoglu, Kerim; Steiger, Hans-Jakob; Haeggi, Daniel] Univ Dusseldorf, Dept Neurosurg, Fac Med, D-40225 Dusseldorf, Germany. [Matzenauer, Christian] Univ Dusseldorf, Inst Forens Med, Fac Med, D-40225 Dusseldorf, Germany. [Dreier, Rita; Bruckner, Peter] Univ Munster, Inst Physiol Chem & Pathobiochem, D-48149 Munster, Germany. [Buchholz, Bruce A.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA USA. [Torner, James C.] Univ Iowa, Dept Epidemiol, Iowa City, IA 52242 USA. [Brown, Robert D., Jr.] Mayo Clin, Dept Neurol, Rochester, MN USA. [Macdonald, R. Loch] St Michaels Hosp, Div Neurosurg, Keenan Res Ctr Biomed Sci, Toronto, ON M5B 1W8, Canada. [Macdonald, R. Loch] St Michaels Hosp, Li Ka Shing Knowledge Inst, Toronto, ON M5B 1W8, Canada. [Macdonald, R. Loch] Univ Toronto, Dept Surg, Toronto, ON, Canada. RP Etminan, N (reprint author), Univ Dusseldorf, Dept Neurosurg, Fac Med, Moorenstr 5, D-40225 Dusseldorf, Germany. EM etminan@uni-duesseldorf.de FU Physicians Services Incorporated Foundation; Brain Aneurysm Foundation; Canadian Institutes of Health Research; Heart and Stroke Foundation of Ontario; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; National Institute of General Medical Sciences [8P41GM103483] FX Drs Etminan and Macdonald received grant support from the Physicians Services Incorporated Foundation. Dr Macdonald received grant support from the Brain Aneurysm Foundation, Canadian Institutes of Health Research, and the Heart and Stroke Foundation of Ontario. This work was performed, in part, under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. Dr Buchholz received support from National Institute of General Medical Sciences 8P41GM103483. NR 38 TC 6 Z9 6 U1 0 U2 2 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0039-2499 EI 1524-4628 J9 STROKE JI Stroke PD JUN PY 2014 VL 45 IS 6 BP 1757 EP + DI 10.1161/STROKEAHA.114.005461 PG 11 WC Clinical Neurology; Peripheral Vascular Disease SC Neurosciences & Neurology; Cardiovascular System & Cardiology GA AI7QR UT WOS:000337090700036 PM 24781080 ER PT J AU Yao, SY Mudiyanselage, K Xu, WQ Johnston-Peck, AC Hanson, JC Wu, TP Stacchiola, D Rodriguez, JA Zhao, HY Beyer, KA Chapman, KW Chupas, PJ Martinez-Arias, A Si, R Bolin, TB Liu, WJ Senanayake, SD AF Yao, Siyu Mudiyanselage, Kumudu Xu, Wenqian Johnston-Peck, Aaron C. Hanson, Jonathan C. Wu, Tianpin Stacchiola, Dario Rodriguez, Jose A. Zhao, Haiyan Beyer, Kevin A. Chapman, Karena W. Chupas, Peter J. Martinez-Arias, Arturo Si, Rui Bolin, Trudy B. Liu, Wenjian Senanayake, Sanjaya D. TI Unraveling the Dynamic Nature of a CuO/CeO2 Catalyst for CO Oxidation in Operando: A Combined Study of XANES (Fluorescence) and DRIFTS SO ACS CATALYSIS LA English DT Article DE Operando catalysis; XANES; DRIFTS; CO oxidation; copper; ceria ID RAY-ABSORPTION SPECTROSCOPY; GAS SHIFT REACTION; REFLECTANCE INFRARED-SPECTROSCOPY; ENERGY-DISPERSIVE EXAFS; IN-SITU; CARBON-MONOXIDE; PREFERENTIAL OXIDATION; METHANOL SYNTHESIS; OXYGEN STORAGE; HYDROGEN PROX AB The redox chemistry and CO oxidation (2CO + O-2 -> 2CO(2)) activity of catalysts generated by the dispersion of CuO on CeO2 nanorods were investigated using a multitechnique approach. Combined measurements of time-resolved X-ray absorption near-edge spectroscopy (XANES) and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) in one setup were made possible with the development of a novel reaction cell in which fluorescence mode detection was applied to collect the XANES spectra. This is the first reported example using XANES in a similar technique combination. With the assistance of parallel time-resolved X-ray diffraction (XRD) measurements under operando conditions, we successfully probed the redox behavior of CuO/CeO2 under CO reduction, constant-flow (steady-state) CO oxidation and during CO/O-2 cycling reactions. A strong copper <-> ceria synergistic effect was observed in the CuO/CeO2 catalyst. Surface Cu(I) species were found to exhibit a strong correlation with the catalyst activity for the CO oxidation reaction. By analysis of phase transformations as well as changes in oxidation state during the nonsteady states in the CO/O-2 cycling reaction, we collected information on the relative transformation rates of key species. Elementary steps in the mechanism for the CO oxidation reaction are proposed based on the understandings gained from the XANES/DRIFTS operando studies. C1 [Yao, Siyu; Mudiyanselage, Kumudu; Xu, Wenqian; Hanson, Jonathan C.; Stacchiola, Dario; Rodriguez, Jose A.; Si, Rui; Senanayake, Sanjaya D.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Wu, Tianpin; Zhao, Haiyan; Beyer, Kevin A.; Chapman, Karena W.; Chupas, Peter J.; Bolin, Trudy B.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Martinez-Arias, Arturo] CSIC, ICP, E-28049 Madrid, Spain. [Yao, Siyu; Liu, Wenjian] Peking Univ, Ctr Computat Sci & Engn, Beijing 100871, Peoples R China. [Yao, Siyu; Liu, Wenjian] Peking Univ, PKU Green Chem Ctr, Beijing 100871, Peoples R China. [Johnston-Peck, Aaron C.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Senanayake, SD (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM ssenanay@bnl.gov RI Stacchiola, Dario/B-1918-2009; Senanayake, Sanjaya/D-4769-2009; COST, CM1104/I-8057-2015; Mudiyanselage, Kumudu/B-2277-2013; Hanson, jonathan/E-3517-2010; Liu, Wenjian/N-7575-2016 OI Stacchiola, Dario/0000-0001-5494-3205; Senanayake, Sanjaya/0000-0003-3991-4232; Mudiyanselage, Kumudu/0000-0002-3539-632X; Liu, Wenjian/0000-0002-1630-3466 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-98CH10886]; U.S. DOE [DE-AC02-06CH11357]; China Scholarship Council [201206010107]; MINECO [CTQ2012-32928]; EU COST [CM1104 action] FX The research carried out at the Chemistry Department, the National Synchrotron Light Source (NSLS), and the Center for Functional Nanomaterials (CFN), at Brookhaven National Laboratory (BNL) was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy (Contract No. DE-AC02-98CH10886). Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. The financial support from China Scholarship Council (File No. 201206010107) is gratefully acknowledged. Financial support from MINECO (Plan Nacional Project No. CTQ2012-32928) and EU COST CM1104 action is also acknowledged. Thanks are also due to ICP-CSIC Unidad de Apoyo for SBET measurement. NR 54 TC 26 Z9 27 U1 15 U2 141 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD JUN PY 2014 VL 4 IS 6 BP 1650 EP 1661 DI 10.1021/cs500148e PG 12 WC Chemistry, Physical SC Chemistry GA AI7MH UT WOS:000337074700005 ER PT J AU Lira, E Merte, LR Behafarid, F Ono, LK Zhang, L Cuenya, BR AF Lira, E. Merte, L. R. Behafarid, F. Ono, L. K. Zhang, L. Cuenya, B. Roldan TI Role and Evolution of Nanoparticle Structure and Chemical State during the Oxidation of NO over Size- and Shape-Controlled Pt/gamma-Al2O3 Catalysts under Operando Conditions SO ACS CATALYSIS LA English DT Article DE NO oxidation; Pt nanoparticle; Al2O3; nanoparticle redispersion; PtOx; EXAFS; XANES; TEM; mass spectroscopy ID X-RAY-ABSORPTION; METAL-SUPPORT INTERFACE; PT/AL2O3 CATALYSTS; STORAGE/REDUCTION CATALYSTS; HYDROGEN CHEMISORPTION; ELECTRONIC-STRUCTURE; THERMAL-STABILITY; PLATINUM OXIDES; REDUCTION; SPECTROSCOPY AB The structure and chemical state of size-selected Pt nanoparticles (NPs) supported on gamma-Al2O3 were studied during the oxidation of NO using X-ray absorption near-edge spectroscopy and extended X-ray absorption fine-structure spectroscopy measurements under operando conditions. The data revealed the formation of PtOx species in the course of the reaction that remained present at the maximum temperature studied, 350 degrees C. The PtOx species were found in all samples, but those with the smallest NPs showed the highest degree of oxidation. Moreover, NO-induced nano-particle redispersion was observed at temperatures below 150 degrees C for all catalysts studied. Catalytic tests showed activity toward the oxidation of NO for all samples. Nevertheless, the catalyst with the smallest NPs was found to be the least active, which is explained by a more extensive formation of PtOx species in this catalyst and their detrimental contribution to the oxidation of NO. C1 [Lira, E.; Merte, L. R.; Behafarid, F.; Ono, L. K.] Univ Cent Florida, Dept Phys, Orlando, FL 32816 USA. [Zhang, L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Cuenya, B. Roldan] Ruhr Univ Bochum, Dept Phys, D-44780 Bochum, Germany. RP Cuenya, BR (reprint author), Ruhr Univ Bochum, Dept Phys, D-44780 Bochum, Germany. EM Beatriz.Roldan@rub.de RI Roldan Cuenya, Beatriz/L-1874-2016 OI Roldan Cuenya, Beatriz/0000-0002-8025-307X FU National Science Foundation [NSF-CHE-1213182]; US Department of Energy [DE-FG02-05ER15688]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; Deutsche Forschungsgemeinschaft [EXC 1069] FX The authors are grateful to Nebojsa Marinkovic (BNL) for beamline support and to Anatoly Frenkel (Yeshiva University) for his advice during the evaluation of the EXAFS data. This work was made possible thanks to funding from the National Science Foundation, NSF-CHE-1213182. Synchrotron Catalysis Consortium facilities at NSLS (BNL), where the XAFS measurements were conducted, are funded by the US Department of Energy (DE-FG02-05ER15688). NSLS (XAFS work) and the Center for Functional Nanomaterials (TEM work) at Brookhaven National Laboratory are supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. This work was also supported in part by the Cluster of Excellence Ruhr Explores Solvation (RESOLV) (EXC 1069) funded by the Deutsche Forschungsgemeinschaft. NR 60 TC 12 Z9 12 U1 9 U2 68 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD JUN PY 2014 VL 4 IS 6 BP 1875 EP 1884 DI 10.1021/cs500137r PG 10 WC Chemistry, Physical SC Chemistry GA AI7MH UT WOS:000337074700028 ER PT J AU Vecchietti, J Bonivardi, A Xu, WQ Stacchiola, D Delgado, JJ Calatayud, M Collins, SE AF Vecchietti, Julia Bonivardi, Adrian Xu, Wenqian Stacchiola, Dario Delgado, Juan J. Calatayud, Monica Collins, Sebastian E. TI Understanding the Role of Oxygen Vacancies in the Water Gas Shift Reaction on Ceria-Supported Platinum Catalysts SO ACS CATALYSIS LA English DT Article DE water gas shift; platinum; ceria; reaction mechanism; in situ spectroscopies; DRIFT; time-resolved X-ray diffraction ID INITIO MOLECULAR-DYNAMICS; PT/CEO2 CATALYST; IN-SITU; SPECTROSCOPIC IDENTIFICATION; REACTION-MECHANISM; REDOX PROPERTIES; CARBON-DIOXIDE; OXIDES; ADSORPTION; SIMULATION AB Reducible oxides have been shown to greatly improve the activity of water gas shift (WGS) catalysts. The precise mechanism for this effect is a matter of intense debate, but the dissociation of water is generally considered to be the key step in the reaction. We present here a study of the water activation on oxygen vacancies at the support as part of the mechanism of the WGS reaction on Pt supported on pure and gallium-doped ceria. Doping the ceria with gallium allows tuning the vacancies in the support while maintaining constant the metal dispersion. An inverse relationship was found between the catalytic activity to WGS and the amount of oxygen vacancies. In situ time-resolved X-ray diffraction, mass spectrometry, and diffuse reflectance infrared spectroscopy (DRIFT) showed that the oxygen vacancy filling by water is always fast in either Pt/CeO2 or Pt/CeGa. DFT calculation provides molecular insights to understand the pathway of water reaction with vacancies at the metal-oxide interface sites. Our results suggest that the activation of the water molecule in the WGS mechanism is not the rate-limiting step in these systems. Concentration-modulation spectroscopy in DRIFT mode under WGS reaction conditions allows the selective detection of key reaction intermediates, a monodentate formate (HCOO) and carboxylate (CO2 delta-) species, which suggests the prevalence of a carboxyl (HOCO) mechanism activated at the oxide-metal interface of the catalyst. C1 [Vecchietti, Julia; Bonivardi, Adrian; Collins, Sebastian E.] Consejo Nacl Invest Cient & Tecn, Inst Desarrollo Tecnol Ind Quim INTEC UNL, RA-3000 Santa Fe, Argentina. [Xu, Wenqian; Stacchiola, Dario] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Delgado, Juan J.] Univ Cadiz, Dept Ciencia Mat & Ingn Met & Quim Inorgan, Fac Ciencias, Cadiz 11510, Spain. [Calatayud, Monica] Univ Paris 06, Inst Univ France, Lab Chim Theor, F-75005 Paris, France. [Calatayud, Monica] CNRS, UMR 7616, F-75005 Paris, France. RP Collins, SE (reprint author), Consejo Nacl Invest Cient & Tecn, Inst Desarrollo Tecnol Ind Quim INTEC UNL, Guemes 3450, RA-3000 Santa Fe, Argentina. EM scollins@santafe-conicet.gov.ar RI Stacchiola, Dario/B-1918-2009; Calatayud, Monica/C-8308-2013; Delgado Jaen, Juan Jose/C-4086-2015; COST, CM1104/I-8057-2015 OI Stacchiola, Dario/0000-0001-5494-3205; Calatayud, Monica/0000-0003-0555-8938; Delgado Jaen, Juan Jose/0000-0001-7956-1166; FU National Council for Scientific and Technical Research (CONICET); National Agency for the Promotion of Science and Technology (ANPCyT) [PICT 2012-1280]; Universidad Nacional del Litoral of Argentina [CAID J379, COST CM1104, Eulanest 042, PME 2006 311, CAID 2009 J379, MINCyT-ECOS A09E01]; U.S. DOE, Office of BES [DE-AC02-617 98CH10086]; HPC GENCI-CINES/IDRIS [2011-x2011082131]; CONICET of Argentina FX This work was supported by the National Council for Scientific and Technical Research (CONICET); the National Agency for the Promotion of Science and Technology (ANPCyT, Grant PICT 2012-1280); and the Universidad Nacional del Litoral (CAID J379) of Argentina (COST CM1104, Eulanest 042, PME 2006 311, CAID 2009 J379, and MINCyT-ECOS A09E01). The work at BNL was financed by the U.S. DOE, Office of BES (DE-AC02-617 98CH10086). M.C. is grateful to HPC GENCI-CINES/IDRIS (Grant 2011-x2011082131) and the CCRE-DSI of Universite P. M. Curie for computational resources. B. Diawara is warmly acknowledged for the Modelview visualization program. J.V. thanks the CONICET of Argentina for a grant received to carry out this work. NR 46 TC 32 Z9 32 U1 9 U2 147 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD JUN PY 2014 VL 4 IS 6 BP 2088 EP 2096 DI 10.1021/cs500323u PG 9 WC Chemistry, Physical SC Chemistry GA AI7MH UT WOS:000337074700051 ER PT J AU Katahira, R Mittal, A McKinney, K Ciesielski, PN Donohoe, BS Black, SK Johnson, DK Biddy, MJ Beckham, GT AF Katahira, Rui Mittal, Ashutosh McKinney, Kellene Ciesielski, Peter N. Donohoe, Bryon S. Black, Stuart K. Johnson, David K. Biddy, Mary J. Beckham, Gregg T. TI Evaluation of Clean Fractionation Pretreatment for the Production of Renewable Fuels and Chemicals from Corn Stover SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Organosolv; Cellulose; Hemicellulose; Lignin; Biofuels ID COMPARATIVE SUGAR RECOVERY; IONIC LIQUID PRETREATMENT; TECHNOECONOMIC ANALYSIS; ENZYMATIC-HYDROLYSIS; AUTO-HYDROLYSIS; SWITCHGRASS; TECHNOLOGIES; BIOMASS; ETHANOL; DELIGNIFICATION AB Organosolv fractionation processes aim to separate the primary biopolymers in lignocellulosic biomass to enable more selective deconstruction and upgrading approaches for the isolated components. Clean fractionation (CF) is a particularly effective organsolv process that was originally applied to woody feedstocks. The original CF pretreatment employed methyl isobutyl ketone (MIBK), ethanol, and water with sulfuric acid as a catalyst at temperatures ranging from 120 to 160 degrees C. Understanding the feasibility and applicability of organosolv processes for industrial use requires mass balances on the primary polymers in biomass, detailed understanding of the physical and chemical characteristics of the fractionated components, and viable upgrading processes for each fraction. Here, we apply two CF approaches to corn stover, one with MIBK/ethanol/water and acid and the other with MIBK/acetone/water and acid, with the aim of understanding if these fractionation methods are feasible for application. We quantify the full mass balances on the resulting solid, organic, and aqueous fractions and apply multiple analytical methods to characterize the three fractions. Total mass yields of the cellulose-enriched, hemicellulose-enriched, and ligninen-riched fractions are near mass closure in most cases. For corn stover, the MIBK/acetone/water CF solvent system is more effective relative to the original CF method based on the enhanced fractionation susceptibility of the aqueous and organic phases and the lower molecular weight distribution of the lignin-enriched fractions. Overall, this work reports component mass balances for the fractionation of corn stover, providing key inputs for detailed evaluation of CF processes based on bench-scale data. C1 [Katahira, Rui; McKinney, Kellene; Black, Stuart K.; Biddy, Mary J.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Katahira, Rui; McKinney, Kellene; Biddy, Mary J.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Adv Biofuels Consortium, Golden, CO 80401 USA. [Mittal, Ashutosh; Ciesielski, Peter N.; Donohoe, Bryon S.; Johnson, David K.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. RP Beckham, GT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM Gregg.Beckham@nrel.gov FU National Advanced Biofuels Consortium - U.S. Department of Energy (DOE), Bioenergy Technologies Office (BETO), through Recovery Act Funds; U.S. DOE BETO FX We acknowledge funding from the National Advanced Biofuels Consortium, funded by the U.S. Department of Energy (DOE), Bioenergy Technologies Office (BETO), through Recovery Act Funds and the U.S. DOE BETO. NR 36 TC 15 Z9 15 U1 6 U2 65 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 JUN PY 2014 VL 2 IS 6 BP 1364 EP 1376 DI 10.1021/sc5001258 PG 13 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA AI5XD UT WOS:000336942100004 ER PT J AU Resch, MG Donohoe, BS Ciesielski, PN Nill, JE Magnusson, L Himmel, ME Mittal, A Katahira, R Biddy, MJ Beckham, GT AF Resch, Michael G. Donohoe, Bryon S. Ciesielski, Peter N. Nill, Jennifer E. Magnusson, Lauren Himmel, Michael E. Mittal, Ashutosh Katahira, Rui Biddy, Mary J. Beckham, Gregg T. TI Clean Fractionation Pretreatment Reduces Enzyme Loadings for Biomass Saccharification and Reveals the Mechanism of Free and Cellulosomal Enzyme Synergy SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Cellulase; Biofuels; Lignin; Cellulose; Organosolv ID COMPARATIVE SUGAR RECOVERY; CELLOBIOHYDROLASE CEL7A; CORN STOVER; LIGNOCELLULOSIC BIOMASS; TECHNOECONOMIC ANALYSIS; FUNGAL-CELLULASES; HYDROLYSIS; TECHNOLOGIES; DEGRADATION; LIGNIN AB Enzymatic depolymerization of polysaccharides is often a key step in the production of fuels and chemicals from lignocellulosic biomass. Historically, model cellulose from model substrates to realistic biomass substrates is criticalsubstrates have been utilized to reveal insights into enzymatic saccharification mechanisms. However, translating findings from model substrates to realistic biomass substrates is critical for evaluating enzyme performance. Here, we employ a commercial fungal enzyme cocktail, purified cellulosomes, and combinations of these two enzymatic systems to investigate saccharification mechanisms on corn stover deconstructed either via clean fractionation (CF) or deacetylated dilute sulfuric acid pretreatments. CF is an organosolv pretreatment method utilizing water, MIBK, and either acetone or ethanol with catalytic amounts of sulfuric acid to fractionate biomass components. The insoluble cellulose-enriched fraction (CEF) from CF contains mainly cellulose, with minor amounts of residual hemicellulose and lignin. Enzymatic digestions at both low and high solid loadings demonstrate that CF reduces the amount of enzyme required to depolymerize polysaccharides relative to deacetylated dilute acid-pretreated corn stover. Transmission and scanning electron microscopy of the digested biomass provides evidence for the different mechanisms of enzymatic deconstruction between free and cellulosomal enzyme systems and reveals the basis for the synergistic relationship between the two enzyme paradigms on a process-relevant substrate. These results also demonstrate that the presence of lignin is more detrimental to cellulosome action than to free fungal cellulases. As enzyme costs are a major driver for biorefineries, this study provides key inputs for evaluation of CF as a pretreatment method and synergistic mixed enzyme systems as a saccharification strategy for biomass conversion. C1 [Resch, Michael G.; Donohoe, Bryon S.; Ciesielski, Peter N.; Magnusson, Lauren; Himmel, Michael E.; Mittal, Ashutosh] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Resch, Michael G.; Nill, Jennifer E.; Katahira, Rui; Biddy, Mary J.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Biddy, Mary J.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Adv Biofuels Consortium, Golden, CO 80401 USA. RP Beckham, GT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM Gregg.Beckham@nrel.gov OI Nill, Jennifer/0000-0002-9274-4650 FU National Advanced Biofuels Consortium - U.S. Department of Energy (DOE) Bioenergy Technologies Office (BETO) through Recovery Act Funds; U.S. DOE BETO FX We acknowledge funding from the National Advanced Biofuels Consortium, funded by the U.S. Department of Energy (DOE) Bioenergy Technologies Office (BETO) through Recovery Act Funds and the U.S. DOE BETO. NR 57 TC 15 Z9 15 U1 4 U2 58 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 JUN PY 2014 VL 2 IS 6 BP 1377 EP 1387 DI 10.1021/sc500210w PG 11 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA AI5XD UT WOS:000336942100005 ER PT J AU Mayes, HB Nolte, MW Beckham, GT Shanks, BH Broadbelt, LJ AF Mayes, Heather B. Nolte, Michael W. Beckham, Gregg T. Shanks, Brent H. Broadbelt, Linda J. TI The Alpha-Bet(a) of Glucose Pyrolysis: Computational and Experimental Investigations of 5-Hydroxymethylfurfural and Levoglucosan Formation Reveal Implications for Cellulose Pyrolysis SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Biomass; 5-HMF; Kinetics; Dehydration; Fuels; Chemicals; Stereoelectronic effects ID DENSITY-FUNCTIONAL THEORY; ELECTROCYCLIC FRAGMENTATION MECHANISMS; MAIN-GROUP THERMOCHEMISTRY; MOLECULAR-ORBITAL METHODS; NONCOVALENT INTERACTIONS; CARBONYL-COMPOUNDS; BIO-OIL; BIOMASS; FRUCTOSE; DECOMPOSITION AB As biomass pyrolysis is a promising technology for producing renewable fuels, mechanistic descriptions of biomass thermal decomposition are of increasing interest. While previous studies have demonstrated that glucose is a key primary intermediate and have elucidated many important elementary mechanisms in its pyrolysis, key questions remain. For example, there are several proposed mechanisms for evolution of an important product and platform chemical, 5-hydroxymethylfurfural (5-HMF), but evaluation with different methodologies has hindered comparison. We evaluated a host of elementary mechanisms using a consistent quantum mechanics (QM) level of theory and reveal a mechanistic understanding of this important pyrolysis pathway. We also describe a novel route as a target for catalyst design, as it holds the promise of a more selective pathway to 5-HMF from glucose. We further demonstrate the effect of conformational and structural isomerization on dehydration reactivity. Additionally, we combined QM and experimental studies to address the question of whether only the reactions of beta-D-glucose, the cellulose monomer, are relevant to biomass pyrolysis, or if alpha-D-glucose needs to be considered in mechanistic models of glucose and cellulose pyrolysis. QM calculations show notable differences in elementary mechanisms between the anomers, especially in levoglucosan formation, which provide a means for evaluating experimental yields of alpha-D-glucose and,beta-D-glucose pyrolysis. The combined data indicate that both anomers are accessible under pyrolysis conditions. The kinetic and mechanistic discoveries in this work will aid catalyst design and mechanistic modeling to advance renewable fuels from nonfood biomass. C1 [Mayes, Heather B.; Broadbelt, Linda J.] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA. [Nolte, Michael W.; Shanks, Brent H.] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. [Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Shanks, Brent H.] Iowa State Univ, Ctr Biorenewable Chem CBiRC, Ames, IA 50011 USA. RP Shanks, BH (reprint author), Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. EM bshanks@iastate.edu; broadbelt@northwestern.edu RI Broadbelt, Linda/B-7640-2009; Mayes, Heather/D-8755-2016 OI Mayes, Heather/0000-0001-9373-0106 FU National Advanced Biofuels Consortium (NABC) - Department of Energy (DOE); Office of Energy Efficiency and Renewable Energy (EERE) through the Office of Biomass Program [DE-EE0003044]; Office of Science of the U.S. DOE [DE-AC02-05CH11231]; DOE Office of EERE [DE-AC36-08GO28308]; DOE Computational Science Graduate Fellowship (CSGF) [DE-FG02-97ER25308]; ARCS Foundation Inc., Chicago Chapter FX This work was supported by the National Advanced Biofuels Consortium (NABC), which is funded by the Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE) through the Office of Biomass Program, Grant DE-EE0003044. This research used computational resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. DOE under Contract DE-AC02-05CH11231 and NREL Computational Sciences Center supported by the DOE Office of EERE under Contract DE-AC36-08GO28308. H.M. thanks Chris Mayes for helpful scripts. H.M. was supported by the DOE Computational Science Graduate Fellowship (CSGF), which is provided under Grant DE-FG02-97ER25308, and the ARCS Foundation Inc., Chicago Chapter. NR 82 TC 22 Z9 22 U1 6 U2 58 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 JUN PY 2014 VL 2 IS 6 BP 1461 EP 1473 DI 10.1021/sc500113m PG 13 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA AI5XD UT WOS:000336942100014 ER PT J AU Karp, EM Donohoe, BS O'Brien, MH Ciesielski, PN Mittal, A Biddy, MJ Beckham, GT AF Karp, Eric M. Donohoe, Bryon S. O'Brien, Marykate H. Ciesielski, Peter N. Mittal, Ashutosh Biddy, Mary J. Beckham, Gregg T. TI Alkaline Pretreatment of Corn Stover: Bench-Scale Fractionation and Stream Characterization SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Lignocellulose; Biomass; Pulping; Biofuels; Lignin; Pretreatment ID DILUTE-ACID PRETREATMENT; COMPARATIVE SUGAR RECOVERY; ENZYMATIC SACCHARIFICATION; BLACK LIQUOR; TECHNOECONOMIC ANALYSIS; AGRICULTURAL RESIDUES; BIOMASS RECALCITRANCE; BIOFUELS PRODUCTION; HYDROGEN-PEROXIDE; TECHNOLOGIES AB Biomass pretreatment generally aims to increase accessibility to plant cell wall polysaccharides for carbohydrate-active enzymes to produce sugars for biological or catalytic upgrading to ethanol or advanced biofiiels. Significant research has been conducted on a suite of pretreatment processes for bioethanol processes. An alternative option, which has received less attention in the biofuels community, is the use of alkaline pretreatment for the partial depolymerization of lignin from intact biomass. A known issue with alkaline pretreatment is the loss of polysaccharides from peeling reactions, but this loss can be mitigated with anthraquinone, as commonly practiced in pulping. Here, we conduct a comprehensive bench-scale evaluation of alkaline pretreatment using corn stover at temperatures of 100, 130, and 160 degrees C and sodium hydroxide loadings from 35 to 660 mg NaOH/g dry biomass with anthraquinone. Compositional analysis is conducted on the starting material and residual solids after pretreatment, and mass balance is inferred in the liquor by difference. The residual solids after alkaline pretreatment are characterized for crystallinity and imaged by scanning and transmission electron microscopy to reveal the physical changes in the carbohydrate portions of the biomass remaining after pretreatment, which demonstrate dramatic modifications to biomass cell wall architecture with lignin removal but rather insignificant changes in cellulose crystallinity. Our results show that alkaline pretreatment at relatively mild conditions is able to remove substantial amounts of lignin from biomass. Going forward, to be an economically feasibile process, technologies will be required to upgrade the resulting lignin-rich liquor stream. C1 [Karp, Eric M.; O'Brien, Marykate H.; Biddy, Mary J.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Karp, Eric M.; O'Brien, Marykate H.; Biddy, Mary J.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Adv Biofuels Consortium, Golden, CO 80401 USA. [Donohoe, Bryon S.; Ciesielski, Peter N.; Mittal, Ashutosh] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. RP Beckham, GT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM gregg.beckham@nrel.gov FU U.S. Department of Energy BioEnergy Technology Office (BETO) FX We thank the U.S. Department of Energy BioEnergy Technology Office (BETO) for funding through the National Advanced Biofuels Consortium, which was funded by the American Recovery and Reinvestment Act as well as BETO via the Lignin Utilization Project. We thank R. T. Elander, R. Katahira, E. Kuhn, M. G. Resch, and J.B. Sluiter for helpful NR 60 TC 30 Z9 30 U1 8 U2 65 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 JUN PY 2014 VL 2 IS 6 BP 1481 EP 1491 DI 10.1021/sc500126u PG 11 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA AI5XD UT WOS:000336942100016 ER PT J AU Zhang, JN Zhang, XL Zhou, YC Guo, SJ Wang, KX Liang, ZQ Xu, Q AF Zhang, Jianan Zhang, Xianglan Zhou, Yunchun Guo, Shaojun Wang, Kaixi Liang, Zhiqiang Xu, Qun TI Nitrogen-Doped Hierarchical Porous Carbon Nanowhisker Ensembles on Carbon Nanofiber for High-Performance Supercapacitors SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Nanowhislcer; Hierarchical structure; Carbon nanofiber; Porous structure; Supercapacitors ID CAPACITIVE ENERGY-STORAGE; LONG CYCLE LIFE; ELECTROCHEMICAL SUPERCAPACITORS; RATE CAPABILITY; HIGH-POWER; GRAPHENE; ELECTRODES; DENSITY; OXIDE; BATTERIES AB Controlled synthesis of carbon nanomaterials with particular shape, composition, architecture, and doping is very important, yet still a great challenge, for enhancing supercapacitor performance with high energy and power densities and long lifetime. Herein, we demonstrate an interesting process combining surfactantless and templateless wet chemical and post-high-temperature carbonization strategies for obtaining a new class of nitrogen-doped hierarchical porous carbon nanowhisker ensembles supported on carbon nanofibers (NHCNs) with tunable rnicropores and a nitrogen-doping level for high-performance supercapacitors. Under the optimal pore size and nitrogen doping controlled by carbonization at different temperatures, the NHCNs (NHCNs-750) carbonized at 750 degrees C shows an optimal specific capacitance of 210.1 F g(-1) at 5 mV s(-1), which is much higher than other one-dimensional carbon nanostructures (e.g., pure carbon nanofibers (2.6 F g(-1)) and carbon nanotubes (10.6 F g(-1)) at 5 mVs(-1)). NHCNs-750 also showed good rate capability of 78.5% and 75.2% capacitance retention at 100 mV s(-1) and 200 mV respectively, and excellent cycling stability of 96.2% capacitance retention after 3000 cycles. Furthermore, we found that the specific capacitance of NHCNs can be further increased to 254.3 F g(-1) by a KOH-assisted high-temperature process. The present work opens a new route to design advanced 1D hierarchical carbon nanomaterials with tunable pores and nitrogen doping for enhancing energy storage and conversion applications. C1 [Zhang, Jianan; Zhang, Xianglan; Wang, Kaixi; Xu, Qun] Zhengzhou Univ, Coll Mat Sci & Engn, Zhengzhou 450052, Peoples R China. [Guo, Shaojun] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Zhou, Yunchun] Chinese Acad Sci, Changchun Inst Appl Chem, Natl Analyt Res Ctr Electrochem & Spect, Changchun 130022, Peoples R China. [Liang, Zhiqiang] Jilin Univ, Coll Chem, State Key Lab Inorgan Synth & Preparat Chem, Changchun 130012, Peoples R China. RP Guo, SJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM shaojun.guo.nano@gmail.com; qunxu@zzu.edu.cn RI Liang, Zhiqiang/G-8135-2011; Guo, Shaojun/A-8449-2011 OI Guo, Shaojun/0000-0002-5941-414X FU National Natural Science Foundation of China [21101141, 51202223]; Program for New Century Excellent Talents in Universities (NCET); J. Robert Oppenheimer Distinguished Fellowship; Open Project Foundation of State Key Laboratory of Inorganic Synthesis and Preparation Chemistry of Jilin University FX This work was financially supported by the National Natural Science Foundation of China (21101141 and 51202223), Program for New Century Excellent Talents in Universities (NCET), J. Robert Oppenheimer Distinguished Fellowship, and Open Project Foundation of State Key Laboratory of Inorganic Synthesis and Preparation Chemistry of Jilin University (2012-13). NR 55 TC 26 Z9 27 U1 8 U2 103 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 JUN PY 2014 VL 2 IS 6 BP 1525 EP 1533 DI 10.1021/sc500221s PG 9 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA AI5XD UT WOS:000336942100022 ER PT J AU Nadar, SV Yoshinaga, M Kandavelu, P Sankaran, B Rosen, BP AF Nadar, S. Venkadesh Yoshinaga, Masafumi Kandavelu, Palani Sankaran, Banumathi Rosen, Barry P. TI Crystallization and preliminary X-ray crystallographic studies of the ArsI C-As lyase from Thermomonospora curvata SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article ID ACID; BACTERIA; TRIMETHYLARSINE; DEMETHYLATION; DEGRADATION; PROTEIN; SOILS AB Arsenic is a ubiquitous and carcinogenic environmental element that enters the biosphere primarily from geochemical sources, but also through anthropogenic activities. Microorganisms play an important role in the arsenic biogeochemical cycle by biotransformation of inorganic arsenic into organic arsenicals and vice versa. ArsI is a microbial nonheme ferrous-dependent dioxygenase that transforms toxic methylarsonous acid to the less toxic inorganic arsenite by C-As bond cleavage. An ArsI ortholog from the thermophilic bacterium Thermomonospora curvata was expressed, purified and crystallized. The crystals diffracted to 1.46 angstrom resolution and belonged to space group P4(3)2(1)2 or its enantiomer P4(1)2(1)2, with unit-cell parameters a = b = 42.2, c = 118.5 angstrom. C1 [Nadar, S. Venkadesh; Yoshinaga, Masafumi; Rosen, Barry P.] Florida Int Univ, Dept Cellular Biol & Pharmacol, Herbert Wertheim Coll Med, Miami, FL 33199 USA. [Kandavelu, Palani] Univ Georgia, SER CAT, Athens, GA 30602 USA. [Kandavelu, Palani] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. [Sankaran, Banumathi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Ctr Struct Biol, Berkeley, CA 94720 USA. RP Rosen, BP (reprint author), Florida Int Univ, Dept Cellular Biol & Pharmacol, Herbert Wertheim Coll Med, Miami, FL 33199 USA. EM brosen@fiu.edu RI YOSHINAGA, Masafumi/P-2708-2015 FU NIH [R37 GM55425]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [W-31-109-Eng-38]; US Department of Energy [DE-AC02-05CH11231] FX This work was supported by NIH grant R37 GM55425. This project utilized the Southeast Regional Collaborative Access Team (SER-CAT) 22-ID beamline of the Advanced Photon Source, Argonne National Laboratory. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under contract No. W-31-109-Eng-38. The Berkeley Center for Structural Biology is supported in part by the National Institutes of Health, National Institute of General Medical Sciences and the Howard Hughes Medical Institute. 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 No. DE-AC02-05CH11231. NR 24 TC 4 Z9 4 U1 0 U2 9 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Commun. PD JUN PY 2014 VL 70 BP 761 EP 764 DI 10.1107/S2053230X14008814 PN 6 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA AI7IZ UT WOS:000337062500015 PM 24915088 ER PT J AU Bodenheimer, AM Cuneo, MJ Swartz, PD He, JH O'Neill, HM Myles, DAA Evans, BR Meilleur, F AF Bodenheimer, Annette M. Cuneo, Matthew J. Swartz, Paul D. He, Junhong O'Neill, Hugh M. Myles, Dean A. A. Evans, Barbara R. Meilleur, Flora TI Crystallization and preliminary X-ray diffraction analysis of Hypocrea jecorina Cel7A in two new crystal forms SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article ID TRICHODERMA-REESEI CELLOBIOHYDROLASE; BINDING DOMAIN; CELLULOSE; PROTEIN; MODEL; PH; LOOP AB Cel7A (previously known as cellobiohydrolase I) from Hypocrea jecorina was crystallized in two crystalline forms, neither of which have been previously reported. Both forms co-crystallize under the same crystallization conditions. The first crystal form belonged to space group C2, with unit-cell parameters a = 152.5, b = 44.9, c = 57.6 angstrom, beta = 101.2 degrees, and diffracted X-rays to 1.5 angstrom resolution. The second crystal form belonged to space group P6(3)22, with unit-cell parameters a = b similar or equal to 155, c similar or equal to 138 angstrom, and diffracted X-rays to 2.5 angstrom resolution. The crystals were obtained using full-length Cel7A, which consists of a large 434-residue N-terminal catalytic domain capable of cleaving cellulose, a 27-residue flexible linker and a small 36-residue C-terminal carbohydrate-binding module (CBM). However, a preliminary analysis of the electron-density maps suggests that the linker and CBM are disordered in both crystal forms. Complete refinement and structure analysis are currently in progress. C1 [Bodenheimer, Annette M.; Swartz, Paul D.; Meilleur, Flora] N Carolina State Univ, Mol & Struct Biochem Dept, Raleigh, NC 27695 USA. [Cuneo, Matthew J.; He, Junhong; O'Neill, Hugh M.; Myles, Dean A. A.; Meilleur, Flora] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. [Evans, Barbara R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. RP Meilleur, F (reprint author), N Carolina State Univ, Mol & Struct Biochem Dept, Raleigh, NC 27695 USA. EM fmeille@ncsu.edu RI myles, dean/D-5860-2016; OI myles, dean/0000-0002-7693-4964; Cuneo, Matthew/0000-0002-1475-6656; O'Neill, Hugh/0000-0003-2966-5527 FU NSF [1069091]; US Department of Energy, Office of Biological and Environmental Research, through the Genomic Science Program, under SFA Biofuels [FWP ERKP752, FWP ERKP291]; US Department of Energy [DE-AC05-00OR22725] FX The authors would like to thank Ruslan Sanishvili (Nukri) and Tim Grune for assistance with fluorescence analysis and single-wavelength anomalous dispersion during the 2013 APS data-collection workshop and CCP4 school. Funding for this work was provided in part by the NSF (award 1069091). Research at Oak Ridge National Laboratory was supported by the US Department of Energy, Office of Biological and Environmental Research, through the Genomic Science Program, under SFA Biofuels Contract FWP ERKP752, and through support for the Center for Structural Molecular Biology (CSMB) under Contract FWP ERKP291, using facilities supported by the Office of Basic Energy Sciences of the US Department of Energy. Oak Ridge National Laboratory is managed by UT-Battelle LLC for the US Department of Energy under Contract DE-AC05-00OR22725. NR 26 TC 2 Z9 2 U1 3 U2 11 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Commun. PD JUN PY 2014 VL 70 BP 773 EP 776 DI 10.1107/S2053230X14008851 PN 6 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA AI7IZ UT WOS:000337062500018 PM 24915091 ER PT J AU Wan, Q Kovalevsky, AY Wilson, MA Bennett, BC Langan, P Dealwis, C AF Wan, Qun Kovalevsky, Andrey Y. Wilson, Mark A. Bennett, Brad C. Langan, Paul Dealwis, Chris TI Preliminary joint X-ray and neutron protein crystallographic studies of ecDHFR complexed with folate and NADP(+) SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article ID COLI DIHYDROFOLATE-REDUCTASE; ESCHERICHIA-COLI; BIOLOGICAL MACROMOLECULES; MECHANISTIC IMPLICATIONS; THERAPEUTIC TARGET; DIFFRACTION; LOOP; OPPORTUNITIES; METHOTREXATE; CHALLENGES AB A crystal of Escherichia coli dihydrofolate reductase (ecDHFR) complexed with folate and NADP(+) of 4 x 1.3 x 0.7 mm (3.6 mm(3)) in size was obtained by sequential application of microseeding and macroseeding. A neutron diffraction data set was collected to 2.0 angstrom resolution using the IMAGINE diffractometer at the High Flux Isotope Reactor within Oak Ridge National Laboratory. A 1.6 angstrom resolution X-ray data set was also collected from a smaller crystal at room temperature. The neutron and X-ray data were used together for joint refinement of the ecDHFR-folate-NADP(+) ternary-complex structure in order to examine the protonation state, protein dynamics and solvent structure of the complex, furthering understanding of the catalytic mechanism. C1 [Wan, Qun] Yangzhou Univ, Coll Med, Dept Biochem, Yangzhou 225001, Peoples R China. [Kovalevsky, Andrey Y.; Langan, Paul] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Wilson, Mark A.] Univ Nebraska, Redox Biol Ctr, Dept Biochem, Lincoln, NE 68588 USA. [Bennett, Brad C.] Univ Virginia, Dept Mol Physiol & Biol Phys, Charlottesville, VA 22908 USA. [Dealwis, Chris] Case Western Reserve Univ, Dept Pharmacol, Cleveland, OH 44106 USA. RP Wan, Q (reprint author), Yangzhou Univ, Coll Med, Dept Biochem, 11 HuaiHai Rd, Yangzhou 225001, Peoples R China. EM wqun@yzu.edu.cn; cxd114@case.edu RI Langan, Paul/N-5237-2015; OI Langan, Paul/0000-0002-0247-3122; Wan, Qun/0000-0002-8309-0341 FU Center for Structural Molecular Biology - US Office of Biological and Environmental Research, US Department of Energy [FWP ERKP752]; NIH-NIGMS [R01GM071939]; NIH [R01GM092999]; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; Yangzhou University, China [2013CXJ083] FX This work was partly supported by the Center for Structural Molecular Biology supported by the US Office of Biological and Environmental Research, US Department of Energy, under FWP ERKP752. PL was partly supported by an NIH-NIGMS-funded consortium (R01GM071939) between ORNL and LBNL to develop computational tools for neutron protein crystallography. MAW is supported by NIH grant R01GM092999. This research used facilities sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. QW was partly supported by grant 2013CXJ083 from Yangzhou University, China. NR 31 TC 2 Z9 2 U1 0 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Commun. PD JUN PY 2014 VL 70 BP 814 EP 818 DI 10.1107/S2053230X1400942X PN 6 PG 5 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA AI7IZ UT WOS:000337062500027 PM 24915100 ER PT J AU Sippel, KH Bacik, J Quiocho, FA Fisher, SZ AF Sippel, K. H. Bacik, J. Quiocho, F. A. Fisher, S. Z. TI Preliminary time-of-flight neutron diffraction studies of Escherichia coli ABC transport receptor phosphate-binding protein at the Protein Crystallography Station SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article ID CARBONIC-ANHYDRASE II; X-RAY; CRYSTAL-STRUCTURE; ACTIVE-TRANSPORT; HYDROGEN-BONDS; JOINT NEUTRON; DOMINANT ROLE; SPECIFICITY; CHARGES; REFINEMENT AB Inorganic phosphate is an essential molecule for all known life. Organisms have developed many mechanisms to ensure an adequate supply, even in low-phosphate conditions. In prokaryotes phosphate transport is instigated by the phosphate-binding protein (PBP), the initial receptor for the ATP-binding cassette (ABC) phosphate transporter. In the crystal structure of the PBP-phosphate complex, the phosphate is completely desolvated and sequestered in a deep cleft and is bound by 13 hydrogen bonds: 12 to protein NH and OH donor groups and one to a carboxylate acceptor group. The carboxylate plays a key recognition role by accepting a phosphate hydrogen. PBP phosphate affinity is relatively consistent across a broad pH range, indicating the capacity to bind monobasic (H2PO4-) and dibasic (HPO42-) phosphate; however, the mechanism by which it might accommodate the second hydrogen of monobasic phosphate is unclear. To answer this question, neutron diffraction studies were initiated. Large single crystals with a volume of 8 mm(3) were grown and subjected to hydrogen/deuterium exchange. A 2.5 angstrom resolution data set was collected on the Protein Crystallography Station at the Los Alamos Neutron Science Center. Initial refinement of the neutron data shows significant nuclear density, and refinement is ongoing. This is the first report of a neutron study from this superfamily. C1 [Sippel, K. H.; Quiocho, F. A.] Baylor Coll Med, Verna & Marrs McLean Dept Biochem & Mol Biol, Houston, TX 77030 USA. [Bacik, J.] Los Alamos Natl Lab, Biosci Div B11, Los Alamos, NM 87545 USA. [Fisher, S. Z.] European Spallat Source, Sci Activ Div, S-22100 Lund, Sweden. RP Quiocho, FA (reprint author), Baylor Coll Med, Verna & Marrs McLean Dept Biochem & Mol Biol, Houston, TX 77030 USA. EM faq@bcm.edu; zoe.fisher@esss.se FU The Welch Foundation [Q-0581] FX The PCS staff (SZF and JPB) would like to thank the Department of Energy Office of Biological and Environmental Research for continued support of the PCS beamline and support laboratories. FAQ and KHS were supported by The Welch Foundation (Q-0581). KHS acknowledges Drs Paul Leonard and Todd Link of the M. D. Anderson Cancer Center for the generous use of their X-ray diffractometer. NR 36 TC 1 Z9 1 U1 1 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Commun. PD JUN PY 2014 VL 70 BP 819 EP 822 DI 10.1107/S2053230X14009704 PN 6 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA AI7IZ UT WOS:000337062500028 PM 24915101 ER PT J AU Beaven, G Bowyer, A Erskine, P Wood, SP McCoy, A Coates, L Keegan, R Lebedev, A Hopper, DJ Kaderbhai, MA Cooper, JB AF Beaven, G. Bowyer, A. Erskine, P. Wood, S. P. McCoy, A. Coates, L. Keegan, R. Lebedev, A. Hopper, D. J. Kaderbhai, M. A. Cooper, J. B. TI Crystallization and preliminary X-ray characterization of the 2,4 '-dihydroxyacetophenone dioxygenase from Alcaligenes sp 4HAP SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article ID DATA QUALITY; 4-HYDROXYACETOPHENONE; CATABOLISM; CRYSTALS; IMOSFLM; ENZYME AB The enzyme 2,4'-dihydroxyacetophenone dioxygenase (or DAD) catalyses the conversion of 2,4'-dihydroxyacetophenone to 4-hydroxybenzoic acid and formic acid with the incorporation of molecular oxygen. Whilst the vast majority of dioxygenases cleave within the aromatic ring of the substrate, DAD is very unusual in that it is involved in C-C bond cleavage in a substituent of the aromatic ring. There is evidence that the enzyme is a homotetramer of 20.3 kDa subunits each containing nonhaem iron and its sequence suggests that it belongs to the cupin family of dioxygenases. By the use of limited chymotrypsinolysis, the DAD enzyme from Alcaligenes sp. 4HAP has been crystallized in a form that diffracts synchrotron radiation to a resolution of 2.2 angstrom. C1 [Beaven, G.; Bowyer, A.] Univ Southampton, Sch Biol Sci, Southampton, Hants, England. [Erskine, P.; Wood, S. P.; Cooper, J. B.] UCL Div Med, Ctr Amyloidosis & Acute Phase Prot, Lab Prot Crystallog, London NW3 2PF, England. [McCoy, A.] Univ Cambridge, Cambridge Inst Med Res, Cambridge, England. [Coates, L.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Keegan, R.; Lebedev, A.] STFC Rutherford Appleton Lab, RAL, Didcot OX11 0FA, Oxon, England. [Hopper, D. J.; Kaderbhai, M. A.] Aberystwyth Univ, Inst Biol Environm & Rural Sci, Aberystwyth SY23 3DA, Dyfed, Wales. RP Cooper, JB (reprint author), UCL Div Med, Ctr Amyloidosis & Acute Phase Prot, Lab Prot Crystallog, Royal Free Campus,Rowland Hill St, London NW3 2PF, England. EM jon.cooper@ucl.ac.uk OI Coates, Leighton/0000-0003-2342-049X FU BBSRC [B18665]; Diamond Light Source (DLS), UK [MX1425, MX-7131] FX We gratefully acknowledge the BBSRC for scholarships to GB and AB and a postdoctoral research fellowship to LC (BBSRC reference B18665) some years ago. We acknowledge the ESRF, Grenoble, France and Diamond Light Source (DLS), UK for current beam time and travel support (award Nos. MX1425 and MX-7131). NR 18 TC 4 Z9 4 U1 2 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Commun. PD JUN PY 2014 VL 70 BP 823 EP 826 DI 10.1107/S2053230X14009649 PN 6 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA AI7IZ UT WOS:000337062500029 PM 24915102 ER PT J AU Dutta, A Roberts, JAS Shaw, WJ AF Dutta, Arnab Roberts, John A. S. Shaw, Wendy J. TI Arginine-Containing Ligands Enhance H-2 Oxidation Catalyst Performance SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE amino acid catalysts; bioinspired catalysts; H-2 oxidation; homogeneous electrocatalysis; nickel complex ID OUTER-COORDINATION SPHERE; COUPLED ELECTRON-TRANSFER; MOLECULAR CATALYSTS; HYDROGEN-PRODUCTION; PENDANT AMINES; ELECTROCATALYTIC OXIDATION; PROTON DELIVERY; COMPLEXES; ENZYME; ACIDS AB Hydrogenase enzymes use Ni and Fe to oxidize H-2 at high turnover frequencies (TOF) (up to 10 000 s(-1)) and low overpotentials (< 100 mV). In comparison, the fastest reported synthetic electrocatalyst, [Ni-II(P-Cy N-2(2)tBu)(2)](2+), oxidizes H-2 at 60 s(-1) in MeCN under 1 atm H-2 with an unoptimized overpotential of ca. 500 mV using triethylamine as a base.[1] Here we show that a structured outer coordination sphere in a Ni electrocatalyst enhances H-2 oxidation activity: [Ni-II(P-Cy N-2(2)Arg)(2)]8(+) (Arg = arginine) has a TOF of 210 s(-1) in water with high energy efficiency (180 mVoverpotential) under 1 atm H-2, and 144 000 s(-1) (460 mV overpotential) under 133 atm H-2. The complex is active from pH 0-14 and is faster at low pH, the most relevant condition for fuel cells. The arginine substituents increase TOF and may engage in an intramolecular guanidinium interaction that assists in H-2 activation, while the COOH groups facilitate rapid proton movement. These results emphasize the critical role of features beyond the active site in achieving fast, efficient catalysis. C1 [Dutta, Arnab; Roberts, John A. S.; Shaw, Wendy J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Roberts, JAS (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM John.Roberts@pnnl.gov; Wendy.Shaw@pnnl.gov FU Office of Science Early Career Research Program through the US DOE, BES; Center for Molecular Electrocatalysis, an Energy Frontier Research Center - US DOE, BES; US DOE's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) FX We would like to thank Dr. Daniel DuBois for useful discussions. This work was funded by the Office of Science Early Career Research Program through the US DOE, BES (A. D., W.J.S.), and the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US DOE, BES (J.A.S.R.). Part of the research was conducted at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by US DOE's Office of Biological and Environmental Research program located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the US DOE. We thank Dr. Charles Weiss and Dr. Jonathan Darmon for the preparation of the table-of-contents graphic. NR 38 TC 28 Z9 28 U1 3 U2 46 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD JUN PY 2014 VL 53 IS 25 BP 6487 EP 6491 DI 10.1002/anie.201402304 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA AI7SB UT WOS:000337095900031 PM 24820824 ER PT J AU Dantas, JM Morgado, L Catarino, T Kokhan, O Pokkuluri, PR Salgueiro, CA AF Dantas, Joana M. Morgado, Leonor Catarino, Teresa Kokhan, Oleksandr Pokkuluri, P. Raj Salgueiro, Carlos A. TI Evidence for interaction between the triheme cytochrome PpcA from Geobacter sulfurreducens and anthrahydroquinone-2,6-disulfonate, an analog of the redox active components of humic substances SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS LA English DT Article DE AQDS; Geobacter; Humics; Multiheme cytochromes; NMR; Electron transfer ID C-TYPE CYTOCHROME; ELECTRON-TRANSFER; ESCHERICHIA-COLI; THERMODYNAMIC CHARACTERIZATION; SUBSURFACE ENVIRONMENTS; ANAEROBIC RESPIRATION; METAL REDUCTION; IN-SITU; COMPLEXES; NMR AB The bacterium Geobacter sulfurreducens displays an extraordinary respiratory versatility underpinning the diversity of electron donors and acceptors that can be used to sustain anaerobic growth. Remarkably, G. sulfurreducens can also use as electron donors the reduced forms of some acceptors, such as the humic substance analog anthraquinone-2,6-disulfonate (AQDS), a feature that confers environmentally competitive advantages to the organism. Using UV-visible and stopped-flow kinetic measurements we demonstrate that there is electron exchange between the triheme cytochrome PpcA from Gs and AQDS. 2D-H-1-N-15 HSQC NMR spectra were recorded for N-15-enriched PpcA samples, in the absence and presence of AQDS. Chemical shift perturbation measurements, at increasing concentration of AQDS, were used to probe the interaction region and to measure the binding affinity of the PpcA-AQDS complex. The perturbations on the NMR signals corresponding to the PpcA backbone NH and heme substituents showed that the region around heme IV interacts with AQDS through the formation of a complex with a definite life time in the NMR time scale. The comparison of the NMR data obtained for PpcA in the presence and absence of AQDS showed that the interaction is reversible. Overall, this study provides for the first time a clear illustration of the formation of an electron transfer complex between AQDS and a G. sulfurreducens triheme cytochrome, shedding light on the electron transfer pathways underlying the microbial oxidation of humics. (C) 2014 Elsevier B.V. All rights reserved. C1 [Dantas, Joana M.; Morgado, Leonor; Salgueiro, Carlos A.] Univ Nova Lisboa, Fac Ciencias & Tecnol, Dept Quim, Requimte CQFB, P-2829516 Caparica, Portugal. [Catarino, Teresa] Univ Nova Lisboa, Inst Tecnol Quim & Biol, P-2780157 Oeiras, Portugal. [Catarino, Teresa] Univ Nova Lisboa, Fac Ciencias & Tecnol, Dept Quim, P-2829516 Caparica, Portugal. [Kokhan, Oleksandr] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Pokkuluri, P. Raj] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Salgueiro, CA (reprint author), Univ Nova Lisboa, Fac Ciencias & Tecnol, Dept Quim, Campus Caparica, P-2829516 Caparica, Portugal. EM csalgueiro@fct.unl.pt RI Salgueiro, Carlos/A-4522-2013; Morgado, Leonor/D-7387-2013; Dantas, Joana/B-8275-2017; Catarino, Teresa/A-9267-2012 OI Salgueiro, Carlos/0000-0003-1136-809X; Morgado, Leonor/0000-0002-3760-5180; Dantas, Joana/0000-0002-4852-7608; Kokhan, Oleksandr/0000-0001-9867-8044; Catarino, Teresa/0000-0003-3782-4014 FU Fundacao para a Ciencia e a Tecnologia (FCT), Portugal [REEQ/336/BIO/2005]; FCT, Portugal [RECI/BBB-BQB/0230/2012]; FCT [SFRH/BD/89701/2012]; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy program [DE-AC02-06CH11357]; [PTDC/BBB-BEP/0753/2012]; [PEst-C/EQB/LA0006/2013] FX We would like to thank to Dr. Marianne Schiffer for helpful discussion. This work was supported by project grant PTDC/BBB-BEP/0753/2012 (to CAS), the strategic grant PEst-C/EQB/LA0006/2013 (to REQUIMTE Laboratorio Associado) and the re-equipment grant REEQ/336/BIO/2005 from the Fundacao para a Ciencia e a Tecnologia (FCT), Portugal. The NMR spectrometers are part of The National NMR Facility, supported by FCT, Portugal (RECI/BBB-BQB/0230/2012). JMD is the recipient of grant SFRH/BD/89701/2012 from FCT. PRP is partially supported and OK is fully supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy program under contract no. DE-AC02-06CH11357. The authors thank the anonymous referees for the valuable comments and constructive suggestions that helped them to improve the paper. NR 54 TC 10 Z9 10 U1 1 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2728 EI 0006-3002 J9 BBA-BIOENERGETICS JI Biochim. Biophys. Acta-Bioenerg. PD JUN PY 2014 VL 1837 IS 6 BP 750 EP 760 DI 10.1016/j.bbabio.2014.02.004 PG 11 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA AI6UW UT WOS:000337013500005 PM 24530867 ER PT J AU Silva, MA Valente, RC Pokkuluri, PR Turner, DL Salgueiro, CA Catarino, T AF Silva, Marta A. Valente, Raquel C. Pokkuluri, P. Raj Turner, David L. Salgueiro, Carlos A. Catarino, Teresa TI Thermodynamic and kinetic characterization of two methyl-accepting chemotaxis heme sensors from Geobacter sulfurreducens reveals the structural origin of their functional difference SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS LA English DT Article DE c-Type heme sensor; Geobacter; Redox potential; Signal transduction; Electron transfer kinetics ID C-TYPE HEME; ELECTRON-TRANSFER REACTIONS; SIGNAL-TRANSDUCTION; BIOPHYSICAL PROPERTIES; ENERGY TRANSDUCTION; ESCHERICHIA-COLI; PROTEINS; REDUCTION; CYTOCHROMES; DITHIONITE AB The periplasmic sensor domains GSU582 and GSU935 are part of methyl-accepting chemotaxis proteins of the bacterium Geobacter sulfurreducens containing one c-type heme and a PAS-like fold. Their spectroscopic properties were shown previously to share similar spectral features. In both sensors, the heme group is in the high-spin form in the oxidized state and low-spin after reduction and binding of a methionine residue. Therefore, it was proposed that this redox-linked ligand switch might be related to the signal transduction mechanism. We now report the thermodynamic and kinetic characterization of the sensors GSU582 and GSU935 by visible spectroscopy and stopped-flow techniques, at several pH and ionic strength values. Despite their similar spectroscopic features, the midpoint reduction potentials and the rate constants for reduction by dithionite are considerably different in the two sensors. The reduction potentials of both sensors are negative and well framed within the typical anoxic subsurface environments in which Geobacter species predominate. The midpoint reduction potentials of sensor GSU935 are lower than those of GSU582 at all pH and ionic strength values and the same was observed for the reduction rate constants. The origin of the different functional properties of these closely related sensors is rationalized in the terms of the structures. The results suggest that the sensors are designed to function in different working potential ranges, allowing the bacteria to trigger an adequate cellular response in different anoxic subsurface environments. These findings provide an explanation for the co-existence of two similar methyl-accepting chemotaxis proteins in G. sulfurreducens. (C) 2014 Elsevier B.V. All rights reserved. C1 [Silva, Marta A.; Valente, Raquel C.; Salgueiro, Carlos A.] Univ Nova Lisboa, Dept Quim, Fac Ciencias & Tecnol, Requimte CQFB, P-2829516 Caparica, Portugal. [Pokkuluri, P. Raj] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Turner, David L.; Catarino, Teresa] Univ Nova Lisboa, Inst Tecnol Quim & Biol, P-2780157 Oeiras, Portugal. [Catarino, Teresa] Univ Nova Lisboa, Dept Quim, Fac Ciencias & Tecnol, P-2829516 Caparica, Portugal. RP Salgueiro, CA (reprint author), Univ Nova Lisboa, Dept Quim, Fac Ciencias & Tecnol, Campus Caparica, P-2829516 Caparica, Portugal. EM csalgueiro@fct.unl.pt; catarino@itqb.unl.pt RI Salgueiro, Carlos/A-4522-2013; Turner, David/B-9061-2011; Catarino, Teresa/A-9267-2012 OI Salgueiro, Carlos/0000-0003-1136-809X; Turner, David/0000-0002-3754-6459; Silva, Marta A./0000-0002-4994-5473; Catarino, Teresa/0000-0003-3782-4014 FU Fundacao para a Ciencia e a Tecnologia (FCT), Portugal [PTDC/BBB-BEP/0753/2012, PEst-C/EQB/LA0006/2013, REEQ/336/BIO/2005]; FCT [SFRH/BD/61952/2009]; division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy program [DE-AC02-06CH11357] FX We thank Dr. Marianne Schiffer for the helpful discussions. This work was supported by the following grants: PTDC/BBB-BEP/0753/2012 (to CAS), PEst-C/EQB/LA0006/2013 (to REQUIMTE Laboratorio Associado) and REEQ/336/BIO/2005 from Fundacao para a Ciencia e a Tecnologia (FCT), Portugal. MAS is the recipient of grant SFRH/BD/61952/2009 from FCT. PRP is partially supported by the division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy program under contract no. DE-AC02-06CH11357. NR 41 TC 3 Z9 3 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2728 EI 0006-3002 J9 BBA-BIOENERGETICS JI Biochim. Biophys. Acta-Bioenerg. PD JUN PY 2014 VL 1837 IS 6 BP 920 EP 928 DI 10.1016/j.bbabio.2014.01.008 PG 9 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA AI6UW UT WOS:000337013500021 PM 24463054 ER PT J AU Puckelwartz, MJ Pesce, LL Nelakuditi, V Dellefave-Castillo, L Golbus, JR Day, SM Cappola, TP Dorn, GW Foster, IT McNally, EM AF Puckelwartz, Megan J. Pesce, Lorenzo L. Nelakuditi, Viswateja Dellefave-Castillo, Lisa Golbus, Jessica R. Day, Sharlene M. Cappola, Thomas P. Dorn, Gerald W., II Foster, Ian T. McNally, Elizabeth M. TI Supercomputing for the parallelization of whole genome analysis SO BIOINFORMATICS LA English DT Article ID DNA-SEQUENCING DATA; CHALLENGES; MAPREDUCE; FRAMEWORK AB Motivation: The declining cost of generating DNA sequence is promoting an increase in whole genome sequencing, especially as applied to the human genome. Whole genome analysis requires the alignment and comparison of raw sequence data, and results in a computational bottleneck because of limited ability to analyze multiple genomes simultaneously. Results: We now adapted a Cray XE6 supercomputer to achieve the parallelization required for concurrent multiple genome analysis. This approach not only markedly speeds computational time but also results in increased usable sequence per genome. Relying on publically available software, the Cray XE6 has the capacity to align and call variants on 240 whole genomes in similar to 50 h. Multisample variant calling is also accelerated. C1 [Puckelwartz, Megan J.; Dellefave-Castillo, Lisa; Golbus, Jessica R.; McNally, Elizabeth M.] Dept Med, Argonne, IL 60439 USA. [Pesce, Lorenzo L.; Foster, Ian T.] Computat Inst, Argonne, IL 60439 USA. [Pesce, Lorenzo L.; Foster, Ian T.] Argonne Natl Lab, Argonne, IL 60439 USA. [Nelakuditi, Viswateja; McNally, Elizabeth M.] Univ Chicago, Dept Human Genet, Chicago, IL 60637 USA. [Day, Sharlene M.] Univ Michigan, Dept Internal Med, Ann Arbor, MI 48109 USA. [Cappola, Thomas P.] Univ Penn, Perelman Sch Med, Penn Cardiovasc Inst, Philadelphia, PA 19104 USA. [Cappola, Thomas P.] Univ Penn, Dept Med, Philadelphia, PA 19104 USA. [Dorn, Gerald W., II] Washington Univ, Sch Med, St Louis, MO 63110 USA. RP McNally, EM (reprint author), Dept Med, 9700 S Cass Ave, Argonne, IL 60439 USA. EM emcnally@uchicago.edu FU National Institutes of Health through Computation Institute; Biological Sciences Division of the University of Chicago and Argonne National Laboratory [S10 RR029030-01]; NIH [AR052646, NIH HL61322, NIH NS072027]; Doris Duke Charitable Foundation FX This work was supported in part by National Institutes of Health through resources provided by the Computation Institute and the Biological Sciences Division of the University of Chicago and Argonne National Laboratory [S10 RR029030-01], and NIH AR052646, NIH HL61322, NIH NS072027, and the Doris Duke Charitable Foundation. NR 15 TC 12 Z9 13 U1 1 U2 7 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 EI 1460-2059 J9 BIOINFORMATICS JI Bioinformatics PD JUN 1 PY 2014 VL 30 IS 11 BP 1508 EP 1513 DI 10.1093/bioinformatics/btu071 PG 6 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA AI7CU UT WOS:000337040200003 PM 24526712 ER PT J AU Maienschein-Cline, M Lei, ZD Gardeux, V Abbasi, T Machado, RF Gordeuk, V Desai, AA Saraf, S Bahroos, N Lussier, Y AF Maienschein-Cline, Mark Lei, Zhengdeng Gardeux, Vincent Abbasi, Taimur Machado, Roberto F. Gordeuk, Victor Desai, Ankit A. Saraf, Santosh Bahroos, Neil Lussier, Yves TI ARTS: automated randomization of multiple traits for study design SO BIOINFORMATICS LA English DT Article AB Collecting data from large studies on high-throughput platforms, such as microarray or next-generation sequencing, typically requires processing samples in batches. There are often systematic but unpredictable biases from batch-to-batch, so proper randomization of biologically relevant traits across batches is crucial for distinguishing true biological differences from experimental artifacts. When a large number of traits are biologically relevant, as is common for clinical studies of patients with varying sex, age, genotype and medical background, proper randomization can be extremely difficult to prepare by hand, especially because traits may affect biological inferences, such as differential expression, in a combinatorial manner. Here we present ARTS (automated randomization of multiple traits for study design), which aids researchers in study design by automatically optimizing batch assignment for any number of samples, any number of traits and any batch size. C1 [Maienschein-Cline, Mark; Lei, Zhengdeng; Gardeux, Vincent; Bahroos, Neil; Lussier, Yves] Univ Illinois, Inst Intervent Hlth Informat, Ctr Res Informat, Chicago, IL 60612 USA. [Gardeux, Vincent; Abbasi, Taimur; Machado, Roberto F.; Gordeuk, Victor; Desai, Ankit A.; Saraf, Santosh; Lussier, Yves] Univ Illinois, Dept Med, Chicago, IL USA. [Gardeux, Vincent; Lussier, Yves] Univ Illinois, Dept Bioengn, Chicago, IL USA. [Lussier, Yves] Univ Illinois, Computat Inst, Chicago, IL USA. [Lussier, Yves] Univ Illinois, Argonne Natl Lab, Lemont, IL USA. RP Maienschein-Cline, M (reprint author), Univ Illinois, Inst Intervent Hlth Informat, Ctr Res Informat, Chicago, IL 60612 USA. EM mmaiensc@uic.edu RI Gardeux, Vincent/O-9653-2016; OI Gardeux, Vincent/0000-0001-8954-2161; Lussier, Yves/0000-0001-9854-1005 FU National Institutes of Health, (University of Illinois CTSA) [UL1TR000050]; University of Illinois Cancer Center FX National Institutes of Health (grants UL1TR000050, in part) (University of Illinois CTSA); University of Illinois Cancer Center. NR 5 TC 0 Z9 0 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 EI 1460-2059 J9 BIOINFORMATICS JI Bioinformatics PD JUN 1 PY 2014 VL 30 IS 11 BP 1637 EP 1639 DI 10.1093/bioinformatics/btu075 PG 3 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA AI7CU UT WOS:000337040200025 PM 24493035 ER PT J AU Matthiesen, J Hoff, T Liu, C Pueschel, C Rao, R Tessonnier, JP AF Matthiesen, John Hoff, Thomas Liu, Chi Pueschel, Charles Rao, Radhika Tessonnier, Jean-Philippe TI Functional carbons and carbon nanohybrids for the catalytic conversion of biomass to renewable chemicals in the condensed phase SO CHINESE JOURNAL OF CATALYSIS LA English DT Review DE Biomass conversion; Renewable chemicals; Heterogeneous catalysis; Carbon nanotubes; Graphene ID TRANSMISSION ELECTRON-MICROSCOPY; IMPROVED HYDROTHERMAL STABILITY; SUPPORTED METAL NANOPARTICLES; MOLYBDENUM CARBIDE CATALYSTS; MESOPOROUS SILICA CATALYSTS; LITHIUM-SULFUR BATTERIES; ATOMIC LAYER DEPOSITION; SULFONIC-ACID GROUPS; AQUEOUS-PHASE; AMORPHOUS-CARBON AB The production of chemicals from lignocellulosic biomass provides opportunities to synthesize chemicals with new functionalities and grow a more sustainable chemical industry. However, new challenges emerge as research transitions from petrochemistry to biorenewable chemistry. Compared to petrochemisty, the selective conversion of biomass-derived carbohydrates requires most catalytic reactions to take place at low temperatures (< 300 degrees C) and in the condensed phase to prevent reactants and products from degrading. The stability of heterogeneous catalysts in liquid water above the normal boiling point represents one of the major challenges to overcome. Herein, we review some of the latest advances in the field with an emphasis on the role of carbon materials and carbon nanohybrids in addressing this challenge. (C) 2014, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier &V. All rights reserved. C1 [Matthiesen, John; Hoff, Thomas; Liu, Chi; Rao, Radhika; Tessonnier, Jean-Philippe] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. [Liu, Chi; Rao, Radhika; Tessonnier, Jean-Philippe] NSF ERC Ctr Biorenewable Chem CBiRC, Ames, IA 50011 USA. [Matthiesen, John; Pueschel, Charles; Tessonnier, Jean-Philippe] US DOE, Ames Lab, Ames, IA 50011 USA. RP Tessonnier, JP (reprint author), Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. EM tesso@iastate.edu RI Tessonnier, Jean-Philippe/A-1444-2010 OI Tessonnier, Jean-Philippe/0000-0001-9035-634X FU National Science Foundation under NSF [EEC-0813570]; Iowa Energy Center under IEC [13-01]; U.S. Department of Energy-Laboratory Royalty Revenue [DE-AC02-07CH11358]; Ames Laboratory for providing a Fellowship through the U.S. Department of Energy Office of Science's Science Undergraduate Laboratory Internship (SULI) FX This work was supported by the National Science Foundation under NSF Grant Number EEC-0813570, and by the Iowa Energy Center under IEC Grant Number 13-01. Research at the Ames Laboratory was supported by the U.S. Department of Energy-Laboratory Royalty Revenue through Contract No. DE-AC02-07CH11358. CP would also like to thank the Ames Laboratory for providing a Fellowship through the U.S. Department of Energy Office of Science's Science Undergraduate Laboratory Internship (SULI). NR 183 TC 9 Z9 9 U1 12 U2 120 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 0253-9837 EI 1872-2067 J9 CHINESE J CATAL JI Chin. J. Catal. PD JUN PY 2014 VL 35 IS 6 BP 842 EP 855 DI 10.1016/S1872-2067(14)60122-4 PG 14 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AI7ZD UT WOS:000337120600009 ER PT J AU Hu, R Liu, HH Chen, YF Zhou, CB Gallipoli, D AF Hu, Ran Liu, Hui-Hai Chen, Yifeng Zhou, Chuangbing Gallipoli, Domenico TI A constitutive model for unsaturated soils with consideration of inter-particle bonding SO COMPUTERS AND GEOTECHNICS LA English DT Article DE Constitutive model; Unsaturated soils; Bonding effect; Water menisci; Plasticity; Critical state ID STRESS-STRAIN BEHAVIOR; WET GRANULAR-MATERIALS; ELASTOPLASTIC MODEL; CAPILLARY STRESS; WATER-RETENTION; CRITICAL-STATE; FRAMEWORK; HYSTERESIS; SATURATION; VARIABLES AB The paper presents a physically-based constitutive model for unsaturated soils that considers the bonding effect of water menisci at inter-particle contacts. A bonding factor has been used to represent the magnitude of the equivalent bonding stress, defined as the bonding force per unit cross-sectional area. The average skeleton stress is employed to represent the effect of average fluid pressures within soil pores. Based on an empirical relationship between the bonding factor zeta and the ratio e/e(s) (where e and e(s) are void ratios at unsaturated and saturated states, respectively, at the same average skeleton stress), we propose an elasto-plastic constitutive model for isotropic stress states, and then extend this model to triaxial stress states within the framework of critical state soil mechanics. Because only one yield surface is needed in the proposed model, a relatively small number of parameters are required. Comparisons between experimental data and model results show that, in most cases, the proposed model can reasonably capture the important features of unsaturated soil behavior. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Hu, Ran; Chen, Yifeng; Zhou, Chuangbing] Wuhan Univ, State Key Lab Water Resources & Hydropower Engn S, Wuhan 430072, Peoples R China. [Hu, Ran; Chen, Yifeng; Zhou, Chuangbing] Wuhan Univ, Minist Educ, Key Lab Rock Mech Hydraul Struct Engn, Wuhan 430072, Peoples R China. [Liu, Hui-Hai] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Gallipoli, Domenico] Univ Pau & Pays Adour, Lab SIAME, F-64010 Pau, France. RP Zhou, CB (reprint author), Wuhan Univ, State Key Lab Water Resources & Hydropower Engn S, Wuhan 430072, Peoples R China. EM whuran@whu.edu.cn; hhliu@lbl.gov; csyfchen@whu.edu.cn; cbzhou@whu.edu.cn; domenico.gallipoli@univ-pau.fr RI Zhou, Chuangbing/A-6964-2015; Gallipoli, Domenico/D-3741-2015; Zhou, Chuang-Bing/B-4254-2017 OI Zhou, Chuangbing/0000-0002-0114-735X; Gallipoli, Domenico/0000-0003-1576-0742; FU National Basic Research Program of China [2011CB013500]; Open Research Fund of State Key Laboratory of Geomechanics and Geotechnical Engineering; Institute of Rock and Soil Mechanics; Chinese Academy of Sciences [Z013004]; National Natural Science Foundation of China [51222903, 51179136]; U.S. Department of Energy [DE-AC03-76SF00098]; European Commission [PIAPP-GA-2012-324426] FX We appreciate the constructive comments on the initial version of this paper from Prof. Scott W. Sloan and the anonymous reviewers. This work is funded by the National Basic Research Program of China (No. 2011CB013500), the Open Research Fund of State Key Laboratory of Geomechanics and Geotechnical Engineering, Institute of Rock and Soil Mechanics, Chinese Academy of Sciences, under Grant No. Z013004, and the National Natural Science Foundation of China (Nos. 51222903 and 51179136). The effort of the second author is funded by U.S. Department of Energy (Contract No. DE-AC03-76SF00098). The financial support of the European Commission to the last author through funding of the 'Marie Curie' industry-academia partnerships and pathways network MAGIC ('Monitoring systems to Assess Geotechnical Infrastructure subjected to Climatic hazards'- Contract: PIAPP-GA-2012-324426) is gratefully acknowledged. NR 53 TC 7 Z9 7 U1 3 U2 26 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0266-352X EI 1873-7633 J9 COMPUT GEOTECH JI Comput. Geotech. PD JUN PY 2014 VL 59 BP 127 EP 144 DI 10.1016/j.compgeo.2014.03.007 PG 18 WC Computer Science, Interdisciplinary Applications; Engineering, Geological; Geosciences, Multidisciplinary SC Computer Science; Engineering; Geology GA AI8XB UT WOS:000337209200012 ER PT J AU Bernert, T Winkler, B Krysiak, Y Fink, L Berger, M Alig, E Bayarjargal, L Milman, V Ehm, L Stephens, PW Auner, N Lerner, HW AF Bernert, Thomas Winkler, Bjoern Krysiak, Yasar Fink, Lothar Berger, Matthias Alig, Edith Bayarjargal, Lkhamsuren Milman, Victor Ehm, Lars Stephens, Peter W. Auner, Norbert Lerner, Hans-Wolfram TI Determination of the Crystal Structure of Hexaphenyldisilane from Powder Diffraction Data and Its Thermodynamic Properties SO CRYSTAL GROWTH & DESIGN LA English DT Article ID SILICON DERIVATIVES; MAIN-GROUP; MOLECULES; ELEMENTS; METALS; BOND AB The crystal structure of hexaphenyldisilane, Si-2(C6H5)(6), was determined from synchrotron powder diffraction data. The compound crystallizes in orthorhombic space group P2(1)2(1)2(1) with the following unit cell dimensions: a = 20.2889(8) angstrom, b = 16.9602(7) angstrom, and c = 8.5506(4) angstrom. Second-harmonic generation measurements as well as density functional theory calculations were used to confirm the structure determination. The combination of experimental and theoretical studies yields a Si-Si distance [d(Si-Si)] of 2.38 angstrom. The phenyl rings of a molecule are staggered and slightly distorted, so that the molecule is acentric. Thermodynamic measurements showed no phase transition in the temperature range of 2-400 K. The molar heat capacity (C-p) at 298.15 K of 604(6) J mol(-1) K-1 was established experimentally and by lattice dynamic calculations. The molar entropy (S degrees) and the molar enthalpy (Delta H) in the temperature range of 0-298.15 K are 674(7) J mol(-1) K-1 and 97(6) kJ mol(-1) respectiveley. The Debye temperature (theta(D)) is 207(5) K. The thermal expansion of Si-2(C6H5)(6) is strongly anisotropic, and negative in two directions as determined via temperature-dependent X-ray powder diffraction experiments. The linear thermal expansion coefficients at 298.15 K are as follows: alpha(a) = -4(2) x 10(-6) K-1, at = -4(2) X 10(-6) K-1, and alpha(c) = 2.21(4) X 10(-4) K-1. The volumetric thermal expansion coefficient (alpha(v)) at 298.15 K is 2.13(5) X 10(-4) K-1. C1 [Bernert, Thomas; Winkler, Bjoern; Bayarjargal, Lkhamsuren] Goethe Univ Frankfurt, Inst Geosci, D-60438 Frankfurt, Germany. [Krysiak, Yasar; Fink, Lothar; Berger, Matthias; Alig, Edith; Auner, Norbert; Lerner, Hans-Wolfram] Goethe Univ Frankfurt, Inst Inorgan & Analyt Chem, D-60438 Frankfurt, Germany. [Milman, Victor] Accelrys Inc, Cambridge CB4 0WN, England. [Ehm, Lars] SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA. [Ehm, Lars] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Stephens, Peter W.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Bernert, T (reprint author), Goethe Univ Frankfurt, Inst Geosci, Altenhoeferallee 1, D-60438 Frankfurt, Germany. EM bernert@kristall.uni-frankfurt.de; b.winkler@kristall.uni-frankfurt.de RI Milman, Victor/M-6117-2015; Fachbereich14, Dekanat/C-8553-2015 OI Milman, Victor/0000-0003-2258-1347; FU DFG [WI1232/38-1]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX Bjorn Winkler and Lars Ehm are grateful for financial support from the DFG (Project WI1232/38-1). The National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract DE-AC02-98CH10886. We thank Nadine Rademacher from the Institute for Geosciences of Goethe University for her help on the experiments and Martin U. Schmidt and Jurgen Glinneman from the Institute of Inorganic and Analytical Chemistry of Goethe University for their helpful discussions about crystal symmetries. NR 35 TC 3 Z9 3 U1 0 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 EI 1528-7505 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD JUN PY 2014 VL 14 IS 6 BP 2937 EP 2944 DI 10.1021/cg5002286 PG 8 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA AI6WY UT WOS:000337018900031 ER PT J AU Zheng, XL Tian, D Duan, S Wei, MC Liu, S Zhou, CL Li, Q Wu, G AF Zheng, Xiangli Tian, Dong Duan, Shuo Wei, Maochao Liu, Shan Zhou, Changli Li, Qing Wu, Gang TI Polypyrrole Composite Film for Highly Sensitive and Selective Electrochemical Determination Sensors SO ELECTROCHIMICA ACTA LA English DT Article DE Electrochemical sensoring; Benzo[k]fluoranthene; Benz[a]anthracene-7,12-dione ID POLYCYCLIC AROMATIC-HYDROCARBONS; MASS-SPECTROMETRY; FIBEROPTIC SENSOR; GRILLED MEAT; PAHS; ELECTROANALYSIS; EXTRACTION; GAS; ELECTROCATALYSIS; QUANTIFICATION AB In this paper, polypyrrole (PPy) and benz[a]anthracene-7,12-dione (BaD) were electro-polymerized onto a pyrolytic graphite electrode (PGE), constructing a novel BaD/PPy/PGE platform for electrochemical sensoring. The morphology and electrochemical properties of the fabricated BaD/PPy/PGE were characterized by scanning electron microscopy, cyclic voltammetry and electrochemical impedance spectroscopy. Furthermore, the electrochemical behavior of benzo[k]fluoranthene (BkF) at the BaD/PPy/PGE was investigated. Due to the specific interactions between BkF and BaD, a wide linear range of BkF detection from 1.0 x 10(-12) to 1.0 x 10(-9) M with good linearity (R-2 = 0.9962) and a low detection limit (1.0 x 10(-13) M, S/N = 3) were demonstrated. Importantly, other similar aromatics which had one ring or more than two rings, such as benzo[a]anthracene, benzo[a]pyrene, pyrene, benzo[ghi]peryle, anthracene, phenanthrene, naphthalene and parachlorophenol, showed insignificant interference on BkF detection. Consequently, this novel BaD/PPy/PGE with excellent stability and selectivity holds promise as an effective BkF electrochemical sensor in aqueous solution. As an example for its practical application, the newly developed sensor was applied to quantitative determination of BkF in waste water samples obtained from a coking plant with satisfactory sensitivity, selectivity, and reversibility. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Zheng, Xiangli; Tian, Dong; Wei, Maochao; Liu, Shan; Zhou, Changli] Univ Jinan, Key Lab Chem Sensing & Anal Univ Shandong, Jinan 250022, Peoples R China. [Duan, Shuo] Southwest Univ, Coll Chem & Chem Engn, Chongqing 00715, Peoples R China. [Li, Qing; Wu, Gang] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Zhou, CL (reprint author), Univ Jinan, Key Lab Chem Sensing & Anal Univ Shandong, Jinan 250022, Peoples R China. EM chm_zhoucl@ujn.edu.cn; qinglilanl@gmail.com; wugang@lanl.gov RI Wu, Gang/E-8536-2010; Li, Qing/G-4502-2011 OI Wu, Gang/0000-0003-4956-5208; Li, Qing/0000-0003-4807-030X FU National Natural Science Foundation of China [21205048]; Natural Science Foundation of Shandong Province, China [ZR2013BM003, ZR2009BM034] FX This work was supported by the National Natural Science Foundation of China (No. 21205048) and the Natural Science Foundation of Shandong Province, China (No. ZR2013BM003, No. ZR2009BM034). NR 38 TC 4 Z9 4 U1 5 U2 47 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 EI 1873-3859 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD JUN 1 PY 2014 VL 130 BP 187 EP 193 DI 10.1016/j.electacta.2014.03.018 PG 7 WC Electrochemistry SC Electrochemistry GA AI5BP UT WOS:000336880700024 ER PT J AU Burkhart, MC Heo, Y Zavala, VM AF Burkhart, Michael C. Heo, Yeonsook Zavala, Victor M. TI Measurement and verification of building systems under uncertain data: A Gaussian process modeling approach SO ENERGY AND BUILDINGS LA English DT Article DE Gaussian process modeling; Data uncertainty; Expectation maximization; Measurement and verification ID CARLO EXPECTATION-MAXIMIZATION; EM ALGORITHM AB Uncertainty in sensor data (e.g., weather, occupancy) complicates the construction of baseline models for measurement and verification (M&V). We present a Monte Carlo expectation maximization (MCEM) framework for constructing baseline Gaussian process (GP) models under uncertain input data. We demonstrate that the GP-MCEM framework yields more robust predictions and confidence levels compared with standard GP training approaches that neglect uncertainty. We argue that the approach can also reduce data needs because it implicitly expands the data range used for training and can thus be used as a mechanism to reduce data collection and sensor installation costs in M&V processes. We analyze the numerical behavior of the framework and conclude that robust predictions can be obtained with relatively few samples. (C) 2014 Elsevier B.V. All rights reserved. C1 [Burkhart, Michael C.; Zavala, Victor M.] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Heo, Yeonsook] Univ Cambridge, Dept Architecture, Cambridge CB2 1PX, England. RP Heo, Y (reprint author), Univ Cambridge, Dept Architecture, 1-5 Scroope Terrace, Cambridge CB2 1PX, England. EM yh305@cam.ac.uk FU US Department of Energy [DE-AC02-06CH11357] FX This work was supported by the US Department of Energy, under Contract No. DE-AC02-06CH11357. NR 29 TC 8 Z9 8 U1 0 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 EI 1872-6178 J9 ENERG BUILDINGS JI Energy Build. PD JUN PY 2014 VL 75 BP 189 EP 198 DI 10.1016/j.enbuild.2014.01.048 PG 10 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA AI6UT UT WOS:000337013200019 ER PT J AU Johnson, M Baryshev, SV Thimsen, E Manno, M Zhang, X Veryovkin, IV Leighton, C Aydil, ES AF Johnson, M. Baryshev, S. V. Thimsen, E. Manno, M. Zhang, X. Veryovkin, I. V. Leighton, C. Aydil, E. S. TI Alkali-metal-enhanced grain growth in Cu2ZnSnS4 thin films SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID SOLAR-CELLS; POLYCRYSTALLINE CU(IN,GA)SE-2; SODIUM; NA; INSTRUMENT; BEAM AB The highest efficiency solar cells based on copper zinc tin sulfide (CZTS), a promising photovoltaic material comprised of earth abundant elements, are built on soda lime glass (SLG), a substrate which contains many impurities, including Na and K. These impurities may diffuse into CZTS films during processing and affect film structure and properties. We have investigated the effects of these impurities on the microstructure of CZTS films synthesized by ex situ sulfidation of Cu-Zn-Sn alloy films co-sputtered on SLG, Pyrex, and quartz. CZTS films synthesized on SLG were found to have significantly larger grains than films grown on the other substrates. Furthermore, we show that by including a bare additional piece of SLG in the sulfidation ampoule, the grain size of films grown on nominally impurity-free quartz increases from 100's of nm to greater than 1 mm. This demonstrates conclusively that impurities in SLG volatilize in S-containing atmospheres and incorporate into nearby CZTS films synthesized on other substrates. Impurity concentrations in these CZTS films were examined using depth profiling with time-of-flight secondary ion mass spectrometry (TOF-SIMS). Of all the impurities present in SLG, the TOF-SIMS experiments implicated Na, K, and Ca as possible elements responsible for the enhanced grain growth. To investigate the effects of these impurities individually, we introduced very small and controllable amounts of Na, K, or Ca into the sulfidation ampoule during CZTS synthesis. Impurity amounts as low as 10(-6) moles of Na or 10(-7) moles of K resulted in a dramatic increase in grain size, from 100's of nm to several microns, for films deposited on quartz, while Ca loading had no visible effect on the final microstructure. Based on this vapor transport mechanism, we thus demonstrate an approach for delivering precisely controlled amounts of specific impurities into CZTS films on arbitrary substrates to facilitate large-grain growth. C1 [Johnson, M.; Thimsen, E.; Manno, M.; Zhang, X.; Leighton, C.; Aydil, E. S.] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. [Baryshev, S. V.; Veryovkin, I. V.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Johnson, M (reprint author), Univ Minnesota, Dept Chem Engn & Mat Sci, 421 Washington Ave SE, Minneapolis, MN 55455 USA. EM leighton@umn.edu; aydil@umn.edu OI Aydil, Eray/0000-0002-8377-9480 FU National Science Foundation (NSF) [CBET-0931145]; Initiative for Renewable Energy & the Environment, IREE [RL-0004-11]; NSF; University of Minnesota NSF Materials Research Science and Engineering Center [DMR0819885]; U.S. Department of Energy (SIMS characterization); NASA [NNH09AM48I] FX This work was supported partially by the National Science Foundation (NSF) under Award no. CBET-0931145 and partially by the Initiative for Renewable Energy & the Environment, IREE (RL-0004-11). Parts of this work were carried out in the Characterization Facility, University of Minnesota, which receives partial support from NSF through the MRSEC program. E. T. and M. M. were supported by the University of Minnesota NSF Materials Research Science and Engineering Center (DMR0819885). S. V. B. and I. V. V. were supported by the U.S. Department of Energy (SIMS characterization) and by NASA through grant NNH09AM48I (hardware, testing and optimization of SARISA). NR 24 TC 45 Z9 45 U1 15 U2 123 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD JUN PY 2014 VL 7 IS 6 BP 1931 EP 1938 DI 10.1039/c3ee44130j PG 8 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AI4JO UT WOS:000336831700015 ER PT J AU Limpinsel, M Farhi, N Berry, N Lindemuth, J Perkins, CL Lin, QY Law, M AF Limpinsel, Moritz Farhi, Nima Berry, Nicholas Lindemuth, Jeffrey Perkins, Craig L. Lin, Qiyin Law, Matt TI An inversion layer at the surface of n-type iron pyrite SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID FES2 SINGLE-CRYSTALS; THIN-FILMS; OPTICAL-ABSORPTION; LOW TEMPERATURES; TRANSPORT-PROPERTIES; ELECTRONIC-STRUCTURE; N-FES2 PYRITE; BAND-GAP; GROWTH; STATES AB Numerical modeling of Hall effect data is used to demonstrate the existence of a conductive inversion layer at the surface of high-quality n-type single crystals of iron pyrite (cubic FeS2) grown by a flux technique. The presence of the inversion layer is corroborated by Hall measurements as a function of crystal thickness and photoemission spectroscopy. This hole-rich surface layer may explain both the low photovoltage of pyrite solar cells and the widely-observed high p-type conductivity of polycrystalline pyrite thin films that have together perplexed researchers for the past thirty years. We find that the thickness and conductivity of the inversion layer can be modified by mechanical and chemical treatments of the pyrite surface, suggesting that it may be possible to eliminate this hole-rich layer by passivating surface states and subsurface defects. Furthermore, modeling of the high-temperature electrical conductivity shows that the electronic band gap is 0.80 +/- 0.05 eV at room temperature (compared to 0.94 eV according to optical transmission data), confirming that photovoltages of similar to 500 mV should be attainable from pyrite under solar illumination. C1 [Limpinsel, Moritz; Law, Matt] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. [Farhi, Nima; Law, Matt] Univ Calif Irvine, Dept Chem Engn & Mat Sci, Irvine, CA 92697 USA. [Berry, Nicholas] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Lindemuth, Jeffrey] Lake Shore Cyrotron Inc, Westerville, OH 43082 USA. [Perkins, Craig L.] Natl Renewable Energy Lab, Golden, CO USA. [Lin, Qiyin; Law, Matt] Univ Calif Irvine, Lab Electron & Xray Instrumentat, Irvine, CA 92697 USA. RP Limpinsel, M (reprint author), Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. EM matt.law@uci.edu FU U.S. Department of Energy [DE-EE0005324, DE-AC36-08-GO28308]; SunShot Next Generation Photovoltaics II (NextGen PVII) program; SOLAR program of the National Science Foundation [CHE-1035218]; National Renewable Energy Laboratory; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We thank J. Tolentino for help with variable-temperature absorption spectroscopy and B. Mercado for single crystal XRD data. M. L. and M. L. acknowledge support from the U.S. Department of Energy under Contract No. DE-EE0005324, funded by the SunShot Next Generation Photovoltaics II (NextGen PVII) program. N. F. and N. B. were supported by the SOLAR program of the National Science Foundation (Award No. CHE-1035218). C. L. P. acknowledges support by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. We thank Z. Fisk for use of the quartz tube sealing setup and Quantachrome Instruments for pycnometry measurements. SEM and XRD work was performed at the Laboratory for Electron and X-ray Instrumentation (LEXI) at UC Irvine. NR 59 TC 22 Z9 22 U1 3 U2 50 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD JUN PY 2014 VL 7 IS 6 BP 1974 EP 1989 DI 10.1039/c3ee43169j PG 16 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AI4JO UT WOS:000336831700020 ER PT J AU Deml, AM Stevanovic, V Muhich, CL Musgrave, CB O'Hayre, R AF Deml, Ann M. Stevanovic, Vladan Muhich, Christopher L. Musgrave, Charles B. O'Hayre, Ryan TI Oxide enthalpy of formation and band gap energy as accurate descriptors of oxygen vacancy formation energetics SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID PEROVSKITE-TYPE OXIDES; CELL CATHODE MATERIALS; ELECTRONIC-STRUCTURE; DEFECT STRUCTURE; TRANSPORT-PROPERTIES; NEUTRON-DIFFRACTION; SEEBECK COEFFICIENT; DESIGN PRINCIPLES; FUEL-CELLS; NONSTOICHIOMETRY AB Despite the fundamental role oxygen vacancy formation energies play in a broad range of important energy applications, their relationships with the intrinsic bulk properties of solid oxides remain elusive. Our study of oxygen vacancy formation in La1-xSrxBO3 perovskites (B=Cr, Mn, Fe, Co, and Ni) conducted using modern, electronic structure theory and solid-state defect models demonstrates that a combination of two fundamental and intrinsic materials properties, the oxide enthalpy of formation and the minimum band gap energy, accurately correlate with oxygen vacancy formation energies. The energy to form a single, neutral oxygen vacancy decreases with both the oxide enthalpy of formation and the band gap energy in agreement with the relation of the former to metal-oxygen bond strengths and of the latter to the energy of the oxygen vacancy electron density redistribution. These findings extend our understanding of the nature of oxygen vacancy formation in complex oxides and provide a fundamental method for predicting oxygen vacancy formation energies using purely intrinsic bulk properties. C1 [Deml, Ann M.; O'Hayre, Ryan] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. [Deml, Ann M.; Muhich, Christopher L.; Musgrave, Charles B.] Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80303 USA. [Stevanovic, Vladan] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Stevanovic, Vladan] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Musgrave, Charles B.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. RP Deml, AM (reprint author), Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA. EM rohayre@mines.edu FU National Science Foundation (NSF) through the Renewable Energy Materials Research Science and Engineering Center (REMRSEC) [DMR-0820518]; Department of Energy Office of Science Graduate Fellowship Program (DOE SCGF); ORISE-ORAU [DE-AC05-06OR23100]; National Science Foundation [DMR-1309980]; NSF [CNS-0821794]; University of Colorado Boulder FX This research was supported by the National Science Foundation (NSF) through the Renewable Energy Materials Research Science and Engineering Center (REMRSEC) under Grant no. DMR-0820518 and from the Department of Energy Office of Science Graduate Fellowship Program (DOE SCGF), made possible in part by the American Recovery and Reinvestment Act of 2009, administered by ORISE-ORAU under contract no. DE-AC05-06OR23100. V.S. acknowledges support from the National Science Foundation under Grant no. DMR-1309980. This work utilized the Janus supercomputer, which is supported by the NSF (award number CNS-0821794) and the University of Colorado Boulder. The Janus supercomputer is a joint effort of the University of Colorado Boulder, the University of Colorado Denver, and the National Center for Atmospheric Research. The authors thank J. Tong and A. Holder for valuable discussions and suggestions. C.B.M. is a Fellow of the Materials Science Program and the Renewable and Sustainable Energy Institute of the University of Colorado Boulder and the National Renewable Energy Laboratory. NR 61 TC 15 Z9 15 U1 7 U2 58 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD JUN PY 2014 VL 7 IS 6 BP 1996 EP 2004 DI 10.1039/c3ee43874k PG 9 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AI4JO UT WOS:000336831700022 ER PT J AU Gong, M Li, YG Zhang, HB Zhang, B Zhou, W Feng, J Wang, HL Liang, YY Fan, ZJ Liu, J Dai, HJ AF Gong, Ming Li, Yanguang Zhang, Hongbo Zhang, Bo Zhou, Wu Feng, Ju Wang, Hailiang Liang, Yongye Fan, Zhuangjun Liu, Jie Dai, Hongjie TI Ultrafast high-capacity NiZn battery with NiAlCo-layered double hydroxide SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID HIGH-PERFORMANCE SUPERCAPACITORS; RECHARGEABLE LITHIUM BATTERIES; ALPHA-NICKEL HYDROXIDE; ELECTRODE MATERIALS; CARBON NANOTUBES; HYBRID MATERIALS; LI-BATTERIES; GRAPHENE; ADDITIVES; OXIDE AB High-performance, low-cost, safe and environmentally friendly batteries are important for portable electronics and electric vehicles. Here, we synthesized NiAlCo-layered double hydroxide (LDH) nanoplates attached to few-walled carbon nanotubes (NiAlCo LDH/CNT) as the cathode material of a rechargeable NiZn battery in aqueous alkaline electrolytes. The alpha-phase nickel hydroxide with ultrathin morphology and strong coupling to nanotubes afforded a cathode with a high capacity of similar to 354 mA h g(-1) and similar to 278 mA h g(-1) at current densities of 6.7 A g(-1) and 66.7 A g(-1), respectively. Al and Co co-doping is unique for stabilizing alpha-phase nickel hydroxide with only a small capacity loss of similar to 6% over 2000 charge and discharge cycles at 66.7 A g(-1). Rechargeable ultrafast NiZn batteries with NiAlCo LDH/CNT cathode and a zinc anode can deliver a cell voltage of similar to 1.75 V, energy density of similar to 274 W h kg(-1) and power density of similar to 16 kW kg(-1) (based on active materials) with a charging time of <1 minute. The results open the possibility of ultrafast and safe batteries with high energy density. C1 [Gong, Ming; Li, Yanguang; Zhang, Bo; Feng, Ju; Wang, Hailiang; Liang, Yongye; Fan, Zhuangjun; Dai, Hongjie] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Zhang, Hongbo; Liu, Jie] Duke Univ, Dept Chem, Durham, NC 27705 USA. [Zhou, Wu] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Gong, M (reprint author), Stanford Univ, Dept Chem, Stanford, CA 94305 USA. EM hdai@stanford.edu RI Zhou, Wu/D-8526-2011; Li, Yanguang/A-2319-2014; Liu, Jie/B-4440-2010 OI Zhou, Wu/0000-0002-6803-1095; Li, Yanguang/0000-0003-0506-0451; Liu, Jie/0000-0003-0451-6111 FU Exploratory Grant from Stanford GCEP; Stanford Precourt Institute for Energy and Intel; National Science Foundation (NSF) [ECCS-1344745, EF-0830093]; Center for the Environmental Implications of NanoTechnology (CEINT) - Environmental Protection Agency (EPA); Wigner Fellowship through the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; ORNL's Center for Nanophase Materials Sciences (CNMS) - Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE FX This work was supported by an Exploratory Grant from Stanford GCEP, a Stinehart/Reed Award from the Stanford Precourt Institute for Energy and Intel. Work at Duke was supported by National Science Foundation (NSF) through ECCS-1344745 and EF-0830093, Center for the Environmental Implications of NanoTechnology (CEINT), co-funded by Environmental Protection Agency (EPA). Work at Oak ridge was supported by a Wigner Fellowship through the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. DOE 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. NR 40 TC 36 Z9 37 U1 16 U2 163 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD JUN PY 2014 VL 7 IS 6 BP 2025 EP 2032 DI 10.1039/c4ee00317a PG 8 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AI4JO UT WOS:000336831700026 ER PT J AU Ziebert, F Aranson, IS AF Ziebert, F. Aranson, I. S. TI Modular approach for modeling cell motility SO EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS LA English DT Article ID DIRECTIONAL MOTILITY; SELF-POLARIZATION; CONTINUUM MODEL; RETROGRADE FLOW; FOCAL ADHESIONS; CRAWLING CELLS; LOCOMOTION; GROWTH; SHAPE; DYNAMICS AB Modeling cell movement is a challenging task since the motility machinery is highly complex. Moreover, there is a rather broad diversity of different cell types. In order to obtain insights into generic features of the motility mechanisms of several distinct cell types, we propose a modular approach that starts with a minimal model, consisting of a phase field description of the moving cell boundary and a simplified internal dynamics. We discuss how this starting point can be extended to increase the level of detail, and how the internal dynamics "module" can be changed/adjusted to properly model various cell types. The former route allows studying specific processes involved in cell motility in the framework of a self-organized moving domain, and the latter might permit to put different cellular motility mechanisms into a unified framework. C1 [Ziebert, F.] Univ Bayreuth, D-95440 Bayreuth, Germany. [Aranson, I. S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Aranson, I. S.] Northwestern Univ, Evanston, IL 60202 USA. RP Ziebert, F (reprint author), Univ Bayreuth, POB 101251, D-95440 Bayreuth, Germany. EM fziebert@gmail.com; aronson@anl.gov NR 76 TC 12 Z9 12 U1 1 U2 27 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1951-6355 EI 1951-6401 J9 EUR PHYS J-SPEC TOP JI Eur. Phys. J.-Spec. Top. PD JUN PY 2014 VL 223 IS 7 BP 1265 EP 1277 DI 10.1140/epjst/e2014-02190-2 PG 13 WC Physics, Multidisciplinary SC Physics GA AI7HO UT WOS:000337056800004 ER PT J AU Ziebert, F Aranson, IS AF Ziebert, F. Aranson, I. S. TI Reply to comment by Baohua Ji SO EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS LA English DT Editorial Material AB Reply to the comment by B. Ji [1] in this special issue. C1 [Ziebert, F.] Univ Bayreuth, D-95440 Bayreuth, Germany. [Aranson, I. S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Aranson, I. S.] Northwestern Univ, Evanston, IL 60202 USA. RP Ziebert, F (reprint author), Univ Bayreuth, POB 101251, D-95440 Bayreuth, Germany. EM fziebert@gmail.com; aronson@anl.gov NR 2 TC 0 Z9 0 U1 1 U2 2 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1951-6355 EI 1951-6401 J9 EUR PHYS J-SPEC TOP JI Eur. Phys. J.-Spec. Top. PD JUN PY 2014 VL 223 IS 7 BP 1407 EP 1408 DI 10.1140/epjst/e2014-02199-5 PG 2 WC Physics, Multidisciplinary SC Physics GA AI7HO UT WOS:000337056800013 ER PT J AU Ziebert, F Aranson, IS AF Ziebert, F. Aranson, I. S. TI Comment on Falcke et al., "Polymerization, bending, tension: What happens at the leading edge of motile cells?" SO EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS LA English DT Editorial Material AB Commentary on the contribution by M. Falcke and J. Zimmermann [1] in this special issue. C1 [Ziebert, F.] Univ Bayreuth, D-95440 Bayreuth, Germany. [Aranson, I. S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Aranson, I. S.] Northwestern Univ, Evanston, IL 60202 USA. RP Ziebert, F (reprint author), Univ Bayreuth, POB 101251, D-95440 Bayreuth, Germany. EM fziebert@gmail.com; aronson@anl.gov NR 9 TC 0 Z9 0 U1 1 U2 6 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1951-6355 EI 1951-6401 J9 EUR PHYS J-SPEC TOP JI Eur. Phys. J.-Spec. Top. PD JUN PY 2014 VL 223 IS 7 BP 1431 EP 1432 DI 10.1140/epjst/e2014-02205-0 PG 2 WC Physics, Multidisciplinary SC Physics GA AI7HO UT WOS:000337056800019 ER PT J AU Euler, GG Wiens, DA Nyblade, AA AF Euler, Garrett G. Wiens, Douglas A. Nyblade, Andrew A. TI Evidence for bathymetric control on the distribution of body wave microseism sources from temporary seismic arrays in Africa SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Interferometry; Body waves; Africa; Atlantic Ocean; Indian Ocean ID CAMEROON VOLCANIC LINE; AMBIENT NOISE; RECEIVER FUNCTIONS; CRUSTAL STRUCTURE; BENEATH CAMEROON; SOUTHERN AFRICA; JOINT INVERSION; UNITED-STATES; TOMOGRAPHY; MANTLE AB Microseisms are the background seismic vibrations mostly driven by the interaction of ocean waves with the solid Earth. Locating the sources of microseisms improves our understanding of the range of conditions under which they are generated and has potential applications to seismic tomography and climate research. In this study, we detect persistent source locations of P-wave microseisms at periods of 5-10 s (0.1-0.2 Hz) using broad-band array noise correlation techniques and frequency-slowness analysis. Data include vertical component records from four temporary seismic arrays in equatorial and southern Africa with a total of 163 broad-band stations and deployed over a span of 13 yr (1994-2007). While none of the arrays were deployed contemporaneously, we find that the recorded microseismic P waves originate from common, distant oceanic bathymetric features with amplitudes that vary seasonally in proportion with extratropical cyclone activity. Our results show that the majority of the persistent microseismic P-wave source locations are within the 30-60A(0) latitude belts of the Northern and Southern hemispheres while a substantially reduced number are found at lower latitudes. Variations in source location with frequency are also observed and indicate tomographic studies including microseismic body wave sources will benefit from analysing multiple frequency bands. We show that the distribution of these source regions in the North Atlantic as well as in the Southern Ocean correlate with variations in bathymetry and ocean wave heights and corroborate current theory on double-frequency microseism generation. The stability of the source locations over the 13-yr time span of our investigation suggests that the long-term body wave microseism source distribution is governed by variations in the bathymetry and ocean wave heights while the interaction of ocean waves has a less apparent influence. C1 [Euler, Garrett G.; Wiens, Douglas A.] Washington Univ, Dept Earth & Planetary Sci, St Louis, MO 63130 USA. [Nyblade, Andrew A.] Penn State, Dept Geosci, University Pk, PA 16802 USA. RP Euler, GG (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Geophys Grp, Los Alamos, NM 87545 USA. EM ggeuler@lanl.gov FU US National Science Foundation [EAR-0310094, EAR-0310272] FX We thank the IRIS Data Management Center, PASSCAL and the numerous field crews for their hard work in providing excellent seismic data from the four temporary arrays in this study. We thank Gabi Laske, Christine Houser, Fabrice Ardhuin and the Marine Modeling and Analysis Branch at the Environmental Modeling Center of NOAA/NWS for making their models and codes available publicly. GE thanks Nicholas Harmon for help in improving our beamforming codes as well as Patrick Shore for his encouragement and guidance during the writing process. We appreciate the help of Anya Reading and an anonymous reviewer who improved the content of this manuscript. This research was supported by the US National Science Foundation grants EAR-0310094 & EAR-0310272. NR 95 TC 6 Z9 6 U1 0 U2 11 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD JUN PY 2014 VL 197 IS 3 BP 1869 EP 1883 DI 10.1093/gji/ggu105 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AI7DB UT WOS:000337041100045 ER PT J AU O'Connor, J Musculus, M AF O'Connor, Jacqueline Musculus, Mark TI Effects of exhaust gas recirculation and load on soot in a heavy-duty optical diesel engine with close-coupled post injections for high-efficiency combustion phasing SO INTERNATIONAL JOURNAL OF ENGINE RESEARCH LA English DT Article DE Close-coupled post injection; soot reduction; heavy-duty diesel; exhaust gas recirculation; optical engine ID TEMPERATURE; IGNITION AB In-cylinder strategies to reduce soot emissions have demonstrated the potential to lessen the burden on, and likely the size and cost of, exhaust aftertreatment systems for diesel engines. One in-cylinder strategy for soot abatement is the use of close-coupled post injections. These short injections closely following the end of the main injection can alter soot-formation and/or oxidation characteristics enough to significantly reduce engine-out soot. Despite the large body of literature on post injections for soot reduction, a clear consensus has not yet been achieved regarding either the detailed mechanisms that affect the soot reduction, or even the sensitivity of the post-injection efficacy to several important engine operating parameters. We report that post injections reduce soot at a range of close-coupled post-injection durations, intake-oxygen levels, and loads in an optical, heavy-duty diesel research engine. Maximum soot reductions by post injections at the loads and conditions tested range from 40% at 21% intake oxygen (by volume) to 62% at 12.6% intake oxygen. From a more fundamental fluid-mechanical perspective, adding a post injection to a constant main injection for conditions with low dilution (21% and 18% intake oxygen) decreases soot relative to the original main injection, even though the load is increased by the post injection. High-speed visualization of natural combustion luminosity and laser-induced incandescence of soot suggest that as the post-injection duration increases and the post injection becomes more effective at reducing soot, it interacts more strongly with soot remaining from the main injection. C1 [O'Connor, Jacqueline; Musculus, Mark] Sandia Natl Labs, Engine Combust Dept, Livermore, CA USA. RP O'Connor, J (reprint author), Penn State Univ, 111 Res East Bldg, University Pk, PA 16802 USA. EM jxo22@psu.edu FU US Department of Energy, Office of Vehicle Technologies; United State Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Support for this research was provided by the US Department of Energy, Office of Vehicle Technologies. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United State Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 71 TC 4 Z9 4 U1 1 U2 12 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1468-0874 EI 2041-3149 J9 INT J ENGINE RES JI Int. J. Engine Res. PD JUN PY 2014 VL 15 IS 4 BP 421 EP 443 DI 10.1177/1468087413488767 PG 23 WC Thermodynamics; Engineering, Mechanical; Transportation Science & Technology SC Thermodynamics; Engineering; Transportation GA AI6HK UT WOS:000336972500004 ER PT J AU Moon, S Tsujimura, T Gao, Y Park, S Wang, J Kurimoto, N Nishijima, Y Oguma, M AF Moon, Seoksu Tsujimura, Taku Gao, Yuan Park, Suhan Wang, Jin Kurimoto, Naoki Nishijima, Yoshiaki Oguma, Mitsuharu TI Biodiesel effects on transient needle motion and near-exit flow characteristics of a high-pressure diesel injector SO INTERNATIONAL JOURNAL OF ENGINE RESEARCH LA English DT Article DE Biodiesel; diesel; needle motion; near-exit flow; high-pressure diesel injector ID HARD X-RAYS; FUEL PROPERTIES; BULK MODULUS; BLENDS; SPEED AB In this study, biodiesel effects on transient needle motion and near-exit flow characteristics of a single-orifice high-pressure diesel injector were investigated in terms of needle-lift, needle speed, exit velocity and near-exit flow structure under various injection pressures. Ultrafast x-ray phase-contrast imaging technique was employed in this study to analyze the transient needle motion and near-exit flow characteristics. High-energy sub-nanosecond x-ray pulses have a potential to visualize the needle inside the nozzle and near-exit dense supersonic flow which speed reaches over 600 m/s. Transient needle motion and the structure and velocity of near-exit supersonic flows can be obtained by fabricated analysis of the x-ray images regardless of fuel, injection condition and type of injector. High bulk modulus and viscosity of biodiesel normally slow down the needle movement and decrease the flow performance. During opening-transient, sharp increase and following overshoot in needle speed and exit velocity were observed with a concurrent increase in spray width. The biodiesel showed a slower increase in needle speed, exit velocity and spray width but a higher degree of velocity overshoot during opening-transient. At steady-state, the biodiesel showed less turbulent flow structure and smaller spray width than diesel. During closing-transient, an abrupt increase in needle speed and decrease in exit velocity were observed with a concurrent increase in spray width. The biodiesel showed the retarded start of closing-transient and longer total injection duration under same energizing pulse duration. The difference between biodiesel and diesel became insignificant at low injection pressures roughly below 100 MPa. C1 [Moon, Seoksu; Tsujimura, Taku; Oguma, Mitsuharu] Natl Inst Adv Ind Sci & Technol, Res Ctr New Fuels & Vehicle Technol, Tsukuba, Ibaraki 3058564, Japan. [Gao, Yuan; Park, Suhan; Wang, Jin] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Kurimoto, Naoki; Nishijima, Yoshiaki] DENSO CORP, Kariya, Aichi, Japan. RP Moon, S (reprint author), Natl Inst Adv Ind Sci & Technol, Res Ctr New Fuels & Vehicle Technol, 1-2-1 Namiki, Tsukuba, Ibaraki 3058564, Japan. EM ss.moon@aist.go.jp FU Japan-US Cooperation Project for Research and Standardization of Clean Energy Technologies FX This work was supported by the Japan-US Cooperation Project for Research and Standardization of Clean Energy Technologies. NR 27 TC 12 Z9 12 U1 2 U2 11 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1468-0874 EI 2041-3149 J9 INT J ENGINE RES JI Int. J. Engine Res. PD JUN PY 2014 VL 15 IS 4 BP 504 EP 518 DI 10.1177/1468087413497951 PG 15 WC Thermodynamics; Engineering, Mechanical; Transportation Science & Technology SC Thermodynamics; Engineering; Transportation GA AI6HK UT WOS:000336972500009 ER PT J AU McDonald, J Steelman, KL Veth, P Mackey, J Loewen, J Thurber, CR Guilderson, TP AF McDonald, Jo Steelman, Karen L. Veth, Peter Mackey, Jeremy Loewen, Josh Thurber, Casey R. Guilderson, T. P. TI Results from the first intensive dating program for pigment art in the Australian arid zone: insights into recent social complexity SO JOURNAL OF ARCHAEOLOGICAL SCIENCE LA English DT Article DE Rock art; Radiocarbon dating; Plasma oxidation; Accelerator mass spectrometry; Arid zone; Pigment ID ROCK-ART; WESTERN-AUSTRALIA; SANDY DESERT; RADIOCARBON; PAINTINGS; OCCUPATION AB The Canning Stock Route Project (Rock Art and Jukurrpa) has yielded the first radiocarbon dates for rock paintings in the Western Desert of Australia. We report on the results of a large-scale project to directly-date both charcoal and inorganic-pigmented pictographs using plasma oxidation combined with accelerator mass spectrometry. This project has yielded the largest number of art dates from any region in the world: one site alone has produced 12 art dates (from 30 collected samples). Our work advances the testing of the dating method through the systematic use of replicates and explores the methodological implications of dating very small samples (10-40 mu g carbon). Thirty-six radiocarbon age determinations range from 3000 years ago to Modern. The results contribute to an understanding of art production in the Australian arid zone during a period of extreme cultural dynamism. We have demonstrated for the first time that significant late Holocene changes in discard rates of artefacts and technological organization of the extractive technologies of implements such seed-grinders is matched by a very high level of stylistic heterogeneity in the art - which has been systematically dated within and between dialect groups. (C) 2014 Elsevier Ltd. All rights reserved. C1 [McDonald, Jo; Veth, Peter] Univ Western Australia, Ctr Rock Art Res & Management, Perth, WA 6009, Australia. [Steelman, Karen L.; Mackey, Jeremy; Loewen, Josh; Thurber, Casey R.] Univ Cent Arkansas, Dept Chem, Conway, AR 72035 USA. [Guilderson, T. P.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometty, Livermore, CA 94551 USA. RP McDonald, J (reprint author), Univ Western Australia, Ctr Rock Art Res & Management, Perth, WA 6009, Australia. EM jo.mcdonald@uwa.edu.au; ksteel@uca.edu OI McDonald, Jo/0000-0002-2701-7406 FU ARC [LP0776332]; AITSIS Grant [G2005/7071]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This dating work was funded by.ARC LP0776332 and AITSIS Grant G2005/7071. The ARC Canning Stock Route Project was a collaborative research project involving the Martu of the Western Desert, the Walmajarri of the south-eastern Kimberley, and researchers from the ANU and Arkansas. Jo McDonald and/or Karen Steelman collected all samples in the field. Karen Steelman oversaw the processing of the samples at University of Central Arkansas. Lennon N. Bates and Jonathan Bishop assisted with laboratory work. Radiocarbon analyses were performed at the Center for Accelerator Mass Spectrometry, Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Sam Harper assisted in the production of the illustrations. We thank the 3 anonymous referees for their constructive and detailed reviews which have improved this paper. NR 49 TC 4 Z9 6 U1 1 U2 5 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0305-4403 EI 1095-9238 J9 J ARCHAEOL SCI JI J. Archaeol. Sci. PD JUN PY 2014 VL 46 BP 195 EP 204 DI 10.1016/j.jas.2014.03.012 PG 10 WC Anthropology; Archaeology; Geosciences, Multidisciplinary SC Anthropology; Archaeology; Geology GA AI6UZ UT WOS:000337013800019 ER PT J AU Liu, Y Liu, Z Zhang, S Rong, X Jacob, R Wu, S Lu, F AF Liu, Y. Liu, Z. Zhang, S. Rong, X. Jacob, R. Wu, S. Lu, F. TI Ensemble-Based Parameter Estimation in a Coupled GCM Using the Adaptive Spatial Average Method SO JOURNAL OF CLIMATE LA English DT Article ID SIMULATED RADAR DATA; ROOT KALMAN FILTER; EARTH SYSTEM MODEL; DATA ASSIMILATION; MICROPHYSICAL PARAMETERS; COVARIANCE INFLATION; EQUATORIAL PACIFIC; ATMOSPHERIC STATE; TROPICAL PACIFIC; PART I AB Ensemble-based parameter estimation for a climate model is emerging as an important topic in climate research. For a complex system such as a coupled ocean atmosphere general circulation model, the sensitivity and response of a model variable to a model parameter could vary spatially and temporally. Here, an adaptive spatial average (ASA) algorithm is proposed to increase the efficiency of parameter estimation. Refined from a previous spatial average method, the ASA uses the ensemble spread as the criterion for selecting "good" values from the spatially varying posterior estimated parameter values; these good values are then averaged to give the final global uniform posterior parameter. In comparison with existing methods, the ASA parameter estimation has a superior performance: faster convergence and enhanced signal-to-noise ratio. C1 [Liu, Y.; Liu, Z.; Wu, S.; Lu, F.] Univ Wisconsin, Ctr Climate Res, Madison, WI 53706 USA. [Liu, Y.; Liu, Z.; Wu, S.; Lu, F.] Univ Wisconsin, Dept Atmospher & Ocean Sci, Madison, WI 53706 USA. [Liu, Z.] Peking Univ, Lab Ocean Atmosphere Studies, Beijing 100871, Peoples R China. [Zhang, S.] Princeton Univ, GFDL NOAA, Princeton, NJ 08544 USA. [Rong, X.] Chinese Acad Meteorol Sci, Beijing, Peoples R China. [Jacob, R.] Argonne Natl Lab, Math & Comp Sci Div, Lemont, IL USA. RP Liu, Y (reprint author), Univ Wisconsin, Ctr Climate Res, Madison, WI 53706 USA. EM liu6@wisc.edu OI Lu, Feiyu/0000-0001-6532-0740 FU NSF; Chinese MOST [2012CB955200] FX We gratefully appreciate the help of Ms. M. Kirchmeier in editing the manuscript. We also thank two anonymous reviews for their comments on an earlier version of the manuscript. We gratefully acknowledge the computing resources provided on "Fusion," a 320-node computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. This research is sponsored by NSF and Chinese MOST 2012CB955200. NR 39 TC 8 Z9 8 U1 0 U2 6 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 JUN 1 PY 2014 VL 27 IS 11 BP 4002 EP 4014 DI 10.1175/JCLI-D-13-00091.1 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AI5EX UT WOS:000336889300009 ER PT J AU Kristoff, J Haret-Richter, G Ma, DZ Ribeiro, RM Xu, CL Cornell, E Stock, JL He, TY Mobley, AD Ross, S Trichel, A Wilson, C Tracy, R Landay, A Apetrei, C Pandrea, I AF Kristoff, Jan Haret-Richter, George Ma, Dongzhu Ribeiro, Ruy M. Xu, Cuiling Cornell, Elaine Stock, Jennifer L. He, Tianyu Mobley, Adam D. Ross, Samantha Trichel, Anita Wilson, Cara Tracy, Russell Landay, Alan Apetrei, Cristian Pandrea, Ivona TI Early microbial translocation blockade reduces SIV-mediated inflammation and viral replication SO JOURNAL OF CLINICAL INVESTIGATION LA English DT Article ID AFRICAN-GREEN MONKEYS; ENDOTOXIN-BINDING AFFINITY; IMMUNE ACTIVATION; DISEASE PROGRESSION; HIV-INFECTION; PIGTAIL MACAQUES; NATURAL HOSTS; SEVELAMER; PATHOGENESIS; DYNAMICS AB Damage to the intestinal mucosa results in the translocation of microbes from the intestinal lumen into the circulation. Microbial translocation has been proposed to trigger immune activation, inflammation, and coagulopathy, all of which are key factors that drive HIV disease progression and non-HIV comorbidities; however, direct proof of a causal link is still lacking. Here, we have demonstrated that treatment of acutely SW-infected pigtailed macaques with the drug sevelamer, which binds microbial lipopolysaccharid.e in the gut, dramatically reduces immune activation and inflammation and slightly reduces viral replication. Furthermore, sevelamer administration reduced coagulation biomarkers, confirming the contribution of microbial translocation in the development of cardiovascular comorbidities in SIV-infected nonhuman primates. Together, our data suggest that early control of microbial translocation may improve the outcome of HIV infection and limit noninfectious comorbidities associated with AIDS. C1 [Kristoff, Jan; Haret-Richter, George; Ma, Dongzhu; Xu, Cuiling; Stock, Jennifer L.; He, Tianyu; Mobley, Adam D.; Ross, Samantha; Trichel, Anita; Apetrei, Cristian; Pandrea, Ivona] Univ Pittsburgh, Ctr Vaccine Res, Pittsburgh, PA USA. [Haret-Richter, George; Pandrea, Ivona] Univ Pittsburgh, Sch Med, Dept Pathol, Pittsburgh, PA USA. [Ma, Dongzhu; Apetrei, Cristian] Univ Pittsburgh, Sch Med, Dept Microbiol & Mol Genet, Pittsburgh, PA USA. [Ribeiro, Ruy M.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM USA. [Cornell, Elaine; Tracy, Russell] Univ Vermont, Dept Pathol & Lab Med, Burlington, VT USA. [Trichel, Anita] Univ Pittsburgh, Sch Med, Div Lab Anim Resources, Pittsburgh, PA USA. [Wilson, Cara] Univ Colorado, Dept Med, Aurora, CO USA. [Landay, Alan] Rush Univ, Med Ctr, Dept Immunol & Microbiol, Chicago, IL 60612 USA. RP Pandrea, I (reprint author), Ctr Vaccine Res, 9045 BST3,3501 Fifth Ave, Pittsburgh, PA 15261 USA. EM pandrea@pitt.edu RI Haret-Richter, George S/G-3563-2015; OI Ribeiro, Ruy/0000-0002-3988-8241 FU NIH/National Heart, Lung, and Blood Institute/National Center for Research Resources/National Institute of Allergy and Infectious Diseases [RO1 HL117715, RO1 RR025781, 5P01 AI076174, P30 AI082151] FX We thank Jason Brenchley and Jake Estes for helpful discussion. This work was supported by NIH/National Heart, Lung, and Blood Institute/National Center for Research Resources/National Institute of Allergy and Infectious Diseases grants RO1 HL117715 (to I. Pandrea), RO1 RR025781 (to C. Apetrei and I. Pandrea), 5P01 AI076174 (to A. Landay), and P30 AI082151 (to A. Landay). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 33 TC 38 Z9 38 U1 0 U2 4 PU AMER SOC CLINICAL INVESTIGATION INC PI ANN ARBOR PA 35 RESEARCH DR, STE 300, ANN ARBOR, MI 48103 USA SN 0021-9738 EI 1558-8238 J9 J CLIN INVEST JI J. Clin. Invest. PD JUN PY 2014 VL 124 IS 6 BP 2802 EP 2806 DI 10.1172/JCI75090 PG 5 WC Medicine, Research & Experimental SC Research & Experimental Medicine GA AI4XC UT WOS:000336868800048 PM 24837437 ER PT J AU Wang, H McCarty, R Salvador, JR Yamamoto, A Konig, J AF Wang, Hsin McCarty, Robin Salvador, James R. Yamamoto, Atsushi Koenig, Jan TI Determination of Thermoelectric Module Efficiency: A Survey SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article DE Thermoelectric; module; efficiency; figure of merit ID INTERNATIONAL ROUND-ROBIN; BULK THERMOELECTRICS; TRANSPORT-PROPERTIES AB The development of thermoelectrics (TE) for energy conversion is in the transition phase from laboratory research to device development. There is an increasing demand to accurately determine the module efficiency, especially for the power generation mode. For many TE, the figure of merit, ZT, of the material sometimes cannot be fully realized at the device level. Reliable efficiency testing of thermoelectric modules is important to assess the device ZT and provide end-users with realistic values for how much power can be generated under specific conditions. We conducted a general survey of efficiency testing devices and their performance. The results indicated a lack of industry standards and test procedures. This study included a commercial test system and several laboratory systems. Most systems are based on the heat flow meter method, and some are based on the Harman method. They are usually reproducible in evaluating thermoelectric modules. However, different systems often showed large differences that are likely caused by uncertain heat loss and thermal resistance. Efficiency testing is an important capability for the thermoelectric community to improve. A follow-up international standardization effort is planned. C1 [Wang, Hsin] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [McCarty, Robin] Marlow Ind, Dallas, TX USA. [Salvador, James R.] GM Global R&D, Warren, MI USA. [Yamamoto, Atsushi] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki, Japan. [Koenig, Jan] Fraunhofer Inst Phys Measurement Tech IPM, Freiburg, Germany. RP Wang, H (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. EM wangh2@ornl.gov RI Yamamoto, Atsushi/E-4083-2016; Wang, Hsin/A-1942-2013 OI Yamamoto, Atsushi/0000-0002-9210-2682; Wang, Hsin/0000-0003-2426-9867 FU International Energy Agency (IEA) under the Implementing Agreement on Advanced Materials for Transportation (AMT); Oak Ridge National Laboratory [DE-AC05000OR22725] FX The authors would like to thank the International Energy Agency (IEA) under the Implementing Agreement on Advanced Materials for Transportation (AMT) for supporting this work, and the assistant secretary for Energy Efficiency and Renewable Energy of the Department of Energy and the Propulsion Materials program under the Vehicle Technologies program. We would like to thank all participating institutions and Oak Ridge National Laboratory managed by UT-Battelle LLC under contract DE-AC05000OR22725 for support. NR 17 TC 17 Z9 17 U1 0 U2 31 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0361-5235 EI 1543-186X J9 J ELECTRON MATER JI J. Electron. Mater. PD JUN PY 2014 VL 43 IS 6 BP 2274 EP 2286 DI 10.1007/s11664-014-3044-2 PG 13 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA AH8FZ UT WOS:000336372400122 ER PT J AU Weber, CR Haehn, NS Oakley, JG Rothamer, DA Bonazza, R AF Weber, Christopher R. Haehn, Nicholas S. Oakley, Jason G. Rothamer, David A. Bonazza, Riccardo TI An experimental investigation of the turbulent mixing transition in the Richtmyer-Meshkov instability SO JOURNAL OF FLUID MECHANICS LA English DT Article DE instability; turbulent mixing; turbulent transition ID RAYLEIGH-TAYLOR INSTABILITY; HIGH-REYNOLDS-NUMBER; FINE-SCALE STRUCTURE; AIR/SF6 INTERFACE; ACCELERATED FLOW; ATWOOD NUMBERS; GAS-CURTAIN; SHEAR FLOWS; LAYER; FLUID AB The Richtmyer-Meshkov instability (RMI) is experimentally investigated in a vertical shock tube using a broadband initial condition imposed on an interface between a helium-acetone mixture and argon (A approximate to 0.7). The interface is created without the use of a membrane by first setting up a flat, gravitationally stable stagnation plane, where the gases are injected from the ends of the shock tube and exit through horizontal slots at the interface location. Following this, the interface is perturbed by injecting gas within the plane of the interface. Perturbations form in the lower portion of this layer due to the shear between this injected stream and the surrounding gas. This shear layer serves as a statistically repeatable broadband initial condition to the RMI. The interface is accelerated by either a M=1.6 or M=2.2 planar shock wave, and the development of the ensuing mixing layer is investigated using planar laser-induced fluorescence (PLIF). The PLIF images are processed to reveal the light-gas mole fraction by accounting for laser absorption and laser-steering effects. The images suggest a transition to turbulent mixing occurring during the experiment. An analysis of the mole-fraction distribution confirms this transition, showing the gases begin to homogenize at later times. The scalar variance energy spectra exhibits a near k-513 inertial range, providing further evidence for turbulent mixing. Measurements of the Batchelor and Taylor microscales are made from the mole-fraction images, giving similar to 150 mu m and 4 mm, respectively, by the latest times. The ratio of these scales implies an outer-scale Reynolds number of 6-7 x 10(4). C1 [Weber, Christopher R.; Haehn, Nicholas S.; Oakley, Jason G.; Rothamer, David A.; Bonazza, Riccardo] Univ Wisconsin, Madison, WI 53706 USA. [Weber, Christopher R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Weber, CR (reprint author), Univ Wisconsin, Madison, WI 53706 USA. EM weber30@llnl.gov FU US Department of Energy; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; US DOE [DE-FG52-06NA26196] FX The authors are grateful to Dan Reese and Jose Alonso Navarro for help with the experiments and to Harry Robey for valuable feedback on this manuscript. Part of this work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Additional support was provided to the University of Wisconsin by US DOE grant no. DE-FG52-06NA26196. NR 67 TC 8 Z9 9 U1 2 U2 25 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 EI 1469-7645 J9 J FLUID MECH JI J. Fluid Mech. PD JUN PY 2014 VL 748 BP 457 EP 487 DI 10.1017/jfm.2014.188 PG 31 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA AI4AW UT WOS:000336808600022 ER PT J AU Leng, GY Huang, MY Tang, QH Gao, HL Leung, LR AF Leng, Guoyong Huang, Maoyi Tang, Qiuhong Gao, Huilin Leung, L. Ruby TI Modeling the Effects of Groundwater-Fed Irrigation on Terrestrial Hydrology over the Conterminous United States SO JOURNAL OF HYDROMETEOROLOGY LA English DT Article ID EARTH SYSTEM MODELS; LAND-SURFACE MODEL; US HIGH-PLAINS; CENTRAL VALLEY; NORTH-AMERICA; RIVER-BASINS; WATER CYCLE; CLIMATE; IMPACTS; PRECIPITATION AB Human alteration of the land surface hydrologic cycle is substantial. Recent studies suggest that local water management practices including groundwater pumping and irrigation could significantly alter the quantity and distribution of water in the terrestrial system, with potential impacts on weather and climate through land atmosphere feedbacks. In this study, the authors incorporated a groundwater withdrawal scheme into the Community Land Model, version 4 (CLM4). To simulate the impact of irrigation realistically, they calibrated the CLM4 simulated irrigation amount against observations from agriculture censuses at the county scale over the conterminous United States. The water used for irrigation was then removed from the surface runoff and groundwater aquifer according to a ratio determined from the county-level agricultural census data. On the basis of the simulations, the impact of groundwater withdrawals for irrigation on land surface and subsurface fluxes were investigated. The results suggest that the impacts of irrigation on latent heat flux and potential recharge when water is withdrawn from surface water alone or from both surface and groundwater are comparable and local to the irrigation areas. However, when water is withdrawn from groundwater for irrigation, greater effects on the subsurface water balance are found, leading to significant depletion of groundwater storage in regions with low recharge rate and high groundwater exploitation rate. The results underscore the importance of local hydrologic feedbacks in governing hydrologic response to anthropogenic change in CLM4 and the need to more realistically simulate the two-way interactions among surface water, groundwater, and atmosphere to better understand the impacts of groundwater pumping on irrigation efficiency and climate. C1 [Leng, Guoyong; Tang, Qiuhong] Chinese Acad Sci, Inst Geog Sci & Nat Resources Res, Beijing, Peoples R China. [Leng, Guoyong; Huang, Maoyi; Leung, L. Ruby] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Leng, Guoyong] Univ Chinese Acad Sci, Beijing, Peoples R China. [Gao, Huilin] Texas A&M Univ, Zachry Dept Civil Engn, College Stn, TX USA. RP Huang, MY (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM maoyi.huang@pnnl.gov RI Huang, Maoyi/I-8599-2012; OI Huang, Maoyi/0000-0001-9154-9485; Tang, Qiuhong/0000-0002-0886-6699 FU Integrated Earth System Modeling (iESM) project - Department of Energy Earth System Modeling and Integrated Assessment Research programs; U.S. Department of Energy [DE-AC05-76RLO1830]; National Natural Science Foundation of China [41171031]; National Basic Research Program of China [2012CB955403] FX This study was supported by the Integrated Earth System Modeling (iESM) project funded by Department of Energy Earth System Modeling and Integrated Assessment Research programs. The Pacific Northwest National Laboratory (PNNL) Platform for Regional Integrated Modeling and Analysis (PRIMA) Initiative provided support for the model configuration and datasets used in the numerical experiments. PNNL is operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC05-76RLO1830. This work was also partly funded by the National Natural Science Foundation of China (Grant 41171031) and the National Basic Research Program of China (Grant 2012CB955403). The authors would like to acknowledge Drs. Nathalie Voisin, Hongyi Li, Mohamad Hejazi, and Huimin Lei for their insightful discussions and suggestions that inspired this work. NR 59 TC 30 Z9 30 U1 2 U2 37 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1525-755X EI 1525-7541 J9 J HYDROMETEOROL JI J. Hydrometeorol. PD JUN PY 2014 VL 15 IS 3 BP 957 EP 972 DI 10.1175/JHM-D-13-049.1 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AI6BE UT WOS:000336954000004 ER PT J AU Volegov, P Schultz, L Espy, M AF Volegov, P. Schultz, L. Espy, M. TI On a ghost artefact in ultra low field magnetic resonance relaxation imaging SO JOURNAL OF MAGNETIC RESONANCE LA English DT Article DE Ultra-low field; Superconducting quantum interference device; MRI; Artefact ID 132 MU-T; CONCOMITANT GRADIENTS; MICROTESLA MRI AB Nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) are widely used techniques across numerous disciplines. While typically implemented at fields >1 T, there has been continuous interest in the methods at much lower fields for reasons of cost, material contrast, or application. There have been numerous demonstrations of MR at much lower fields (from 1 mu T to 1 mT), the so-called ultra-low field (ULF) regime. Approaches to ULF MR have included superconducting quantum interference device (SQUID) sensor technology for ultra-sensitive detection and the use of pulsed pre-polarizing fields to enhance the signal strength. There are many advantages to working in the ULF regime. However, due to the low strength of the measurement field, acquisition of MRI at ULF is more susceptible to ambient fields that cause image distortions. Imaging artifacts can be caused by transients associated with non-ideal field switching and from remnant fields in magnetic shielding, among other causes. In this paper, we introduce a general theoretical framework that describes effects of non-ideal measurement field inversion/rotation due to presence of these transient fields. We illustrate imaging artifacts via simulated and experimental examples. (C) 2014 Elsevier Inc. All rights reserved. C1 [Volegov, P.; Schultz, L.; Espy, M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Volegov, P (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM volegov@lanl.gov FU LDRD [20130121DR, HSHQPM12X00166] FX Authors gratefully acknowledge DOE, DHS support of this work under the projects LDRD 20130121DR and HSHQPM12X00166. NR 22 TC 0 Z9 0 U1 3 U2 9 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1090-7807 EI 1096-0856 J9 J MAGN RESON JI J. Magn. Reson. PD JUN PY 2014 VL 243 BP 98 EP 106 DI 10.1016/j.jmr.2014.04.005 PG 9 WC Biochemical Research Methods; Physics, Atomic, Molecular & Chemical; Spectroscopy SC Biochemistry & Molecular Biology; Physics; Spectroscopy GA AI7ZK UT WOS:000337121300014 PM 24792962 ER PT J AU Presta, M Al-Rohil, R Jacobson, W Pilitsis, J Qian, J AF Presta, Michael Al-Rohil, Rami Jacobson, Walter Pilitsis, Julie Qian, Jiang TI Glioblastoma with Melanoma-like Histology and Widespread Extracranial Metastases. A Case Report with EM Analysis SO JOURNAL OF NEUROPATHOLOGY AND EXPERIMENTAL NEUROLOGY LA English DT Meeting Abstract CT 90th Annual Meeting of the American-Association-of-Neuropathologists-Inc CY JUN 12-15, 2014 CL Portland, OR SP Amer Assoc Neuropathologists Inc C1 [Presta, Michael; Al-Rohil, Rami; Jacobson, Walter; Pilitsis, Julie] Albany Med Coll, Ctr Hosp, Albany, NY 12208 USA. [Qian, Jiang] Albany Med Ctr Hosp, APS, Albany, NY 12208 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0022-3069 EI 1554-6578 J9 J NEUROPATH EXP NEUR JI J. Neuropathol. Exp. Neurol. PD JUN PY 2014 VL 73 IS 6 MA 172 BP 630 EP 631 PG 2 WC Clinical Neurology; Neurosciences; Pathology SC Neurosciences & Neurology; Pathology GA AI3AZ UT WOS:000336732100182 ER PT J AU Byun, TS Yoon, JH Wee, SH Hoelzer, DT Maloy, SA AF Byun, Thak Sang Yoon, Ji Hyun Wee, Sung Hun Hoelzer, David T. Maloy, Stuart A. TI Fracture behavior of 9Cr nanostructured ferritic alloy with improved fracture toughness SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID TEMPERATURE-DEPENDENCE; TENSILE PROPERTIES; STRENGTHENING MECHANISMS; MARTENSITIC STEELS; 14YWT; ODS; REACTORS; FISSION; FUSION; ENERGY AB Nanostructured ferritic alloys (NFAs) have been considered as primary candidate materials for both fission and fusion reactors because of their excellent creep and irradiation resistances. It has been shown that high temperature fracture toughness could be significantly improved by appropriate thermomechanical treatments (TMTs). This article focuses on the static fracture behaviors of newly developed 9Cr NFAs with improved toughness. Optimal TMTs resulted in high fracture toughness at room temperature (>250 MPa Vm) and in retaining higher than 100 MPa Vm over a wide temperature range of 22-700 degrees C. Significant differences were found in fracture surfaces and fracture resistance (J-R) curves after different TMTs. Unique fracture surface features such as shallow nanoscale facets decorated with shear lips and flake-like grains were observed in high toughness specimens. Published by Elsevier B.V. C1 [Byun, Thak Sang; Wee, Sung Hun; Hoelzer, David T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Yoon, Ji Hyun] Korea Atom Energy Res Inst, Taejon, South Korea. [Maloy, Stuart A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Byun, TS (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM byunts@ornl.gov RI Maloy, Stuart/A-8672-2009; Hoelzer, David/L-1558-2016 OI Maloy, Stuart/0000-0001-8037-1319; FU Fuel Cycle R&D Program of the Office of Nuclear Energy; Fusion Materials Program of Office of Fusion Energy; U.S. Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC; International Nuclear Energy Research Initiative (I-NERI) Collaboration [2010-004-K] FX This research was sponsored by the Fuel Cycle R&D Program of the Office of Nuclear Energy, as well as by the Fusion Materials Program of Office of Fusion Energy, the U.S. Department of Energy, under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. This research was part of the International Nuclear Energy Research Initiative (I-NERI) Collaboration between United States and South Korea (I-NERI Project 2010-004-K). The authors express special thanks to Dr. Xiang Chen for his thorough review and thoughtful comments. NR 35 TC 12 Z9 12 U1 1 U2 31 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2014 VL 449 IS 1-3 BP 39 EP 48 DI 10.1016/j.jnucmat.2014.03.007 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AI6WX UT WOS:000337018800006 ER PT J AU Cockeram, BV Leonard, KJ Byun, TS Snead, LL Hollenbeck, JL AF Cockeram, B. V. Leonard, K. J. Byun, T. S. Snead, L. L. Hollenbeck, J. L. TI Development of microstructure and irradiation hardening of Zircaloy during low dose neutron irradiation at nominally 377-440 degrees C SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID ZIRCONIUM ALLOYS; DISLOCATION LOOPS; HCP METALS; PRECIPITATE STABILITY; ELECTRON-IRRADIATION; SINGLE-CRYSTAL; DAMAGE; DEFORMATION; STRESS; EVOLUTION AB Neutron irradiation of wrought Zircaloy-2 and Zircaloy-4 was performed in the Advanced Test Reactor (ATR) at irradiation temperatures of nominally 377-440 degrees C to relatively low neutron fluences between 3 and 31 x 10(24) n/m(2) (E >1 May). The irradiation hardening was measured using tensile testing. For this relatively high application temperature (377-440 degrees C) saturation of hardening was observed at the relatively low dose of 3 and 8 x 10(24) n/m(2), but the magnitude of irradiation hardening is much less than reported in the literature for lower irradiation temperatures of 260-326 degrees C. Examinations of microstructure were used to show that a lower number density of < a > loops is present that results in the lower level of irradiation hardening. The lower irradiation hardening for the higher irradiation temperature is consistent with literature data. The amorphization of Zr(Fe,Cr)(2) precipitates and resulting change in precipitate composition during irradiation is characterized, and the potential role of these effects on < a > loop and < c > loop formation and irradiation hardening is discussed. (C) 2014 Elsevier B.V. All rights reserved. C1 [Cockeram, B. V.; Hollenbeck, J. L.] Bechtel Marine Prop Corp, Bettis Lab, West Mifflin, PA 15122 USA. [Leonard, K. J.; Byun, T. S.; Snead, L. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Cockeram, BV (reprint author), Bechtel Marine Prop Corp, Bettis Lab, West Mifflin, PA 15122 USA. EM bcockeram@verizon.net FU USDOE; ORNL's Shared Research Equipment (ShaRE); Office of Basic Energy Sciences, U.S. Department of Energy FX This work was supported by USDOE. The authors are grateful for the review and comments provided by J.E. Hack and B.F. Kammenzind. Thanks also to the following ORNL personnel for their efforts in completing the testing (A.W. Williams), a Department of Energy Office of Science User Facility. Research sponsored in part by ORNL's Shared Research Equipment (ShaRE) user facility, which is sponsored by the Office of Basic Energy Sciences, U.S. Department of Energy. NR 68 TC 4 Z9 4 U1 1 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2014 VL 449 IS 1-3 BP 69 EP 87 DI 10.1016/j.jnucmat.2014.03.004 PG 19 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AI6WX UT WOS:000337018800010 ER PT J AU Soderquist, CZ Schweiger, MJ Kim, DS Lukens, WW McCloy, JS AF Soderquist, Chuck Z. Schweiger, Michael J. Kim, Dong-Sang Lukens, Wayne W. McCloy, John S. TI Redox-dependent solubility of technetium in low activity waste glass SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID VAPOR HYDRATION TESTS; BOROSILICATE GLASS; RE BEHAVIOR; RHENIUM; PERTECHNETATE; IFEFFIT; MELT; COMPLEXES; SALTS; TC AB The solubility of technetium was measured in a Hanford low activity waste (LAW) glass simulant, to investigate the extent that technetium solubility controls the incorporation of technetium into LAW glass. A series of LAW glass samples, spiked with 500-6000 ppm of Tc as potassium pertechnetate, were melted at 1000 degrees C in sealed fused quartz ampoules. Technetium solubility was determined in the quenched bulk glass to be 2000-2800 ppm, with slightly reducing conditions due to choice of milling media resulting in reductant contamination and higher solubility. The chemical form of technetium obtained by X-ray absorption near edge spectroscopy is mainly isolated, octahedrally-coordinated Tc(IV), with a minority of Tc(VII) in some glasses and TcO2 in two glasses. The concentration and speciation of technetium depends on glass redox and amount of technetium added. Salts formed at the top of higher technetium loaded glasses during the melt. The results of this study show that technetium solubility should not be a factor in technetium retention during melting of Hanford LAW glass. (C) 2013 Elsevier B.V. All rights reserved. C1 [Soderquist, Chuck Z.; Schweiger, Michael J.; Kim, Dong-Sang] Pacific NW Natl Lab, Richland, WA 99352 USA. [Lukens, Wayne W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [McCloy, John S.] Washington State Univ, Pullman, WA 99164 USA. RP McCloy, JS (reprint author), Washington State Univ, Pullman, WA 99164 USA. EM john.mccloy@wsu.edu FU Department of Energy's Waste Treatment & Immobilization Plant Federal Project Office; U.S. DOE [DE-AC05-76RL01830]; U.S. Department of Energy, Basic Energy Sciences, Chemical Sciences, Biosciences, and Geosciences Division, Heavy Element Chemistry Program at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work was supported by the Department of Energy's Waste Treatment & Immobilization Plant Federal Project Office under the direction of Dr. Albert A. Kruger. The authors thank Jaehun Chun and two anonymous reviewers for comments on the manuscript. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the U.S. DOE under contract DE-AC05-76RL01830. Portions of this work were supported by U.S. Department of Energy, Basic Energy Sciences, Chemical Sciences, Biosciences, and Geosciences Division, Heavy Element Chemistry Program 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. DOE Office of Science by Stanford University. NR 35 TC 8 Z9 8 U1 2 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2014 VL 449 IS 1-3 BP 173 EP 180 DI 10.1016/j.jnucmat.2014.03.008 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AI6WX UT WOS:000337018800020 ER PT J AU Byun, TS Morgan, D Jiao, Z Nagai, Y Gueneau, C AF Byun, T. S. Morgan, D. Jiao, Z. Nagai, Y. Gueneau, C. TI Proceedings of the Sixth Symposium on Microstructural Processes in Irradiated Materials (WIN) Preface SO JOURNAL OF NUCLEAR MATERIALS LA English DT Editorial Material C1 [Byun, T. S.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Morgan, D.] Univ Wisconsin, Madison, WI 53706 USA. [Jiao, Z.] Univ Michigan, Ann Arbor, MI 48109 USA. [Nagai, Y.] Tohoku Univ, Oarai, Ibaraki 3111313, Japan. [Gueneau, C.] CEA Saclay, F-91191 Gif Sur Yvette, France. RP Byun, TS (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM byunts@ornl.gov NR 0 TC 0 Z9 0 U1 2 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2014 VL 449 IS 1-3 BP 189 EP 189 DI 10.1016/j.jnucmat.2014.04.013 PG 1 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AI6WX UT WOS:000337018800022 ER PT J AU Byun, TS Baek, JH Anderoglu, O Maloy, SA Toloczko, MB AF Byun, Thak Sang Baek, Jong-Hyuk Anderoglu, Osman Maloy, Stuart A. Toloczko, Mychailo B. TI Thermal annealing recovery of fracture toughness in HT9 steel after irradiation to high doses SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article; Proceedings Paper CT Proceedings of the Sixth Symposium on Microstructural Processes in Irradiated Materials (MPIM) Preface CY MAR 03-07, 2013 CL San Antonio, TX ID PRESSURE-VESSEL STEELS; IMPACT PROPERTIES; CORE MATERIALS; FUSION HEATS; ALLOYS; CREEP; MICROSTRUCTURE; REACTORS; SIMILAR-TO-400-DEGREES-C; 9CR-1MOVNB AB The HT9 ferritic/martensitic steel with a nominal chemistry of Fe(bal.)-12%Cr-1%MnVW has been used as a primary core material for fast fission reactors such as FFTF because of its high resistance to radiationinduced swelling and embrittlement. Both static and dynamic fracture test results have shown that the HT9 steel can become brittle when it is exposed to high dose irradiation at a relatively low temperature (<430 degrees C). This article aims at a comprehensive discussion on the thermal annealing recovery of fracture toughness in the HT9 steel after irradiation up to 3-148 dpa at 378-504 degrees C. A specimen reuse technique has been established and applied to this study: the fracture specimens were tested Charpy specimens or broken halves of Charpy bars (13 x 3 x 4 mm). The post-anneal fracture test results indicated that much of the radiation-induced damage can be recovered by a simple thermal annealing schedule: the fracture toughness was incompletely recovered by 550 degrees C annealing, while nearly complete or complete recovery occurred after 650 degrees C annealing. This indicates that thermal annealing is a feasible damage mitigation technique for the reactor components made of HT9 steel. The partial recovery is probably due to the non-removable microstructural damages such as void or gas bubble formation, elemental segregation and precipitation. Published by Elsevier B.V. C1 [Byun, Thak Sang] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Baek, Jong-Hyuk] Korea Atom Energy Res Inst, Taejon 305353, South Korea. [Anderoglu, Osman; Maloy, Stuart A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Toloczko, Mychailo B.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Byun, TS (reprint author), Oak Ridge Natl Lab, One Bethel Valley Rd,MS-6138, Oak Ridge, TN 37831 USA. EM byunts@ornl.gov RI Maloy, Stuart/A-8672-2009 OI Maloy, Stuart/0000-0001-8037-1319 FU US Department of Energy, Office of Nuclear Energy [DE-AC05-000R22725]; UT-Battelle, LLC FX This research was part of Fuel Cycle R&D Program/Core Materials sponsored by US Department of Energy, Office of Nuclear Energy under Contract DE-AC05-000R22725 with UT-Battelle, LLC. The authors would like to express special thanks to Dr. R.K. Nanstad for his technical review and thoughtful comments. NR 35 TC 5 Z9 5 U1 5 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2014 VL 449 IS 1-3 BP 263 EP 272 DI 10.1016/j.jnucmat.2013.07.064 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AI6WX UT WOS:000337018800033 ER PT J AU Zinkle, SJ AF Zinkle, S. J. TI Evaluation of high strength, high conductivity CuNiBe alloys for fusion energy applications SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article; Proceedings Paper CT Proceedings of the Sixth Symposium on Microstructural Processes in Irradiated Materials (MPIM) Preface CY MAR 03-07, 2013 CL San Antonio, TX ID BAKEOUT THERMAL CYCLES; HARDENED COPPER-ALLOYS; NEUTRON-IRRADIATION; MECHANICAL-PROPERTIES; FRACTURE-TOUGHNESS; INTERMEDIATE TEMPERATURE; ITER APPLICATIONS; HEAT-TREATMENTS; BASE ALLOYS; PRECIPITATION AB The unirradiated tensile properties for several different heats and thermomechanical treatment conditions of precipitation strengthened Hycon 3HPTM CuNiBe (Cu-2%Ni-0.35%Be in wt.%) have been measured over the temperature range of 20-500 C for longitudinal and long transverse orientations. The room temperature electrical conductivity has also been measured for several heats, and the precipitate microstructure was characterized using transmission electron microscopy. The CuNiBe alloys exhibit very good combination of strength and conductivity at room temperature, with yield strengths of 630-725 MPa and electrical conductivities of 65-72% International Annealed Copper Standard (IACS). The strength remained relatively high at all test temperatures, with yield strengths of 420-520 MPa at 500 degrees C. However, low levels of ductility (<5% uniform elongation) were observed at test temperatures above 200-250 C, due to flow localization near grain boundaries (exacerbated by having only 10-20 grains across the gage thickness of the miniaturized sheet tensile specimens). Scanning electron microscopy observation of the fracture surfaces found a transition from ductile transgranular to ductile intergranular fracture with increasing test temperature. Fission neutron irradiation to a dose of 0.7 displacements per atom (dpa) at temperatures between 100 and 240 degrees C produced a slight increase in strength and a significant decrease in ductility. The measured tensile elongation after irradiation increased with increasing irradiation temperature, with a uniform elongation of 3.3% observed at 240 degrees C. The electrical conductivity decreased slightly following irradiation, due to the presence of defect clusters and Ni, Zn, Co transmutation products. Considering also previously published fracture toughness data, this indicates that CuNiBe alloys have irradiated tensile and electrical properties comparable or superior to CuCrZr and oxide dispersion strengthened copper at temperatures <250 degrees C, and may be an attractive candidate for certain lowtemperature fusion energy structural applications. Conversely, CuNiBe may not be preferred at intermediate temperatures of 250-500 degrees C due to the poor ductility and fracture toughness of CuNiBe alloys at temperatures >250 degrees C. The potential deformation mechanisms responsible for the transition from transgranular to intergranular fracture are discussed. The possible implications for other precipitation-hardened alloys such as nickel based superalloys are briefly discussed. (C) 2013 Elsevier B.V. All rights reserved. C1 [Zinkle, S. J.] Oak Ridge Natl Lab, 1 Bethel Valley Rd,POB 2008, Oak Ridge, TN 37831 USA. RP Zinkle, SJ (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd,POB 2008, Oak Ridge, TN 37831 USA. EM zinklesj@ornl.gov OI Zinkle, Steven/0000-0003-2890-6915 FU Office of Fusion Energy Sciences, U.S. Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC FX The four Hycon 3HP (TM) alloy heats for this study were supplied by David Krus of Brush-Wellman Inc and Kevin Slattery of McDonnell-Douglas. The author thanks W.S. Eatherly for performing the tensile testing, L.L. Snead for experimental assistance with the HFBR neutron irradiation, J.P. Robertson for assistance with the irradiated tensile data acquisition, S.A. Fabritsiev for providing tensile data on neutron irradiated CuNiBe alloys, and T.S. Byun for technical comments on the draft manuscript. This research was sponsored by the Office of Fusion Energy Sciences, U.S. Department of Energy under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 63 TC 3 Z9 3 U1 6 U2 34 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2014 VL 449 IS 1-3 BP 277 EP 289 DI 10.1016/j.jnucmat.2013.09.007 PG 13 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AI6WX UT WOS:000337018800035 ER PT J AU Byun, TS Yoon, JH Hoelzer, DT Lee, YB Kang, SH Maloy, SA AF Byun, Thak Sang Yoon, Ji Hyun Hoelzer, David T. Lee, Yong Bok Kang, Suk Hoon Maloy, Stuart A. TI Process development for 9Cr nanostructured ferritic alloy (NFA) with high fracture toughness SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article; Proceedings Paper CT Proceedings of the Sixth Symposium on Microstructural Processes in Irradiated Materials (MPIM) Preface CY MAR 03-07, 2013 CL San Antonio, TX ID DISPERSION-STRENGTHENED ALLOYS; HIGH-TEMPERATURE STRENGTH; RESEARCH-AND-DEVELOPMENT; MARTENSITIC STEELS; NEUTRON-IRRADIATION; STRUCTURAL-MATERIALS; TENSILE PROPERTIES; STAINLESS-STEEL; ION-IRRADIATION; CORE MATERIALS AB This article is to summarize the process development and key characterization results for the newly-developed Fe-9Cr based nanostructured ferritic alloys (NFAs) with high fracture toughness. One of the major drawbacks from pursuing ultra-high strength in the past development of NFAs is poor fracture toughness at high temperatures although a high fracture toughness is essential to prevent cracking during manufacturing and to mitigate or delay irradiation-induced embrittlement in irradiation environments. A study on fracture mechanism using the NFA 14YWT found that the low-energy grain boundary decohesion in fracture process at a high temperature (>200 degrees C) resulted in low fracture toughness. Lately, efforts have been devoted to explore an integrated process to enhance grain bonding. Two base materials were produced through mechanical milling and hot extrusion and designated as 9YWTV-PM1 and 9YWTV-PM2. Isotherrfial annealing (IA) and controlled rolling (CR) treatments in two phase region were used to enhance diffusion across the interfaces and boundaries. The PM2 alloy after CR treatments showed high fracture toughness (K-JQ) at represented temperatures: 240-280 MPa root m at room temperature and 160-220 MPa root m at 500 degrees C, which indicates that the goal of 100 MPa root m over possible nuclear application temperature range has been well achieved. Furthermore, it is also confirmed by comparison that the CR treatments on 9YWTV-PM2 result in high fracture toughness similar to or higher than those of the conventional ferritic-martensitic steels such as HT9 and NF616. Published by Elsevier B.V. C1 [Byun, Thak Sang; Hoelzer, David T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Yoon, Ji Hyun; Lee, Yong Bok; Kang, Suk Hoon] Korea Atom Energy Res Inst, Taejon 305353, South Korea. [Maloy, Stuart A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Byun, TS (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM byunts@ornl.gov RI Maloy, Stuart/A-8672-2009; Hoelzer, David/L-1558-2016 OI Maloy, Stuart/0000-0001-8037-1319; FU International Nuclear Energy Research Initiative (I-NERI) Collaboration [2010-004-K]; Office of Nuclear Energy, US Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC FX This research was sponsored by the International Nuclear Energy Research Initiative (I-NERI) Collaboration between United States and South Korea (I-NERI Project 2010-004-K). In the US, this research was also part of the Fuel Cycle R&D program sponsored by the Office of Nuclear Energy, US Department of Energy, under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. The authors express special thanks to Drs. Chad M. Parish and Kurt. A. Terrani for their thorough reviews and thoughtful comments. NR 81 TC 11 Z9 11 U1 3 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2014 VL 449 IS 1-3 BP 290 EP 299 DI 10.1016/j.jnucmat.2013.10.007 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AI6WX UT WOS:000337018800036 ER PT J AU Kim, JH Byun, TS Lee, JH Min, JY Kim, SW Park, CH Lee, BH AF Kim, Jeoung Han Byun, Thak Sang Lee, Jae Hoon Min, Jeon Yeong Kim, Seong Woong Park, Chan Hee Lee, Bong Ho TI Effects of processing condition on the microstructural and tensile properties of 14Cr-based oxide dispersion strengthened alloys SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article; Proceedings Paper CT Proceedings of the Sixth Symposium on Microstructural Processes in Irradiated Materials (MPIM) Preface CY MAR 03-07, 2013 CL San Antonio, TX ID TEMPERATURE-DEPENDENCE; FERRITIC ALLOYS; STEELS; 14YWT; MECHANISMS; Y2O3 AB Eight different oxide dispersion strengthened CODS) steels were manufactured to investigate the influence of several processing parameters including milling temperature, rotation speed, and consolidation temperature. Microstructural evolution and resulting mechanical properties were then characterized for the different manufacturing processes. As milling temperature decreases, microstructures become finer and room temperature tensile strength increases. Lowering the consolidation temperature induces an increase in tensile strength with a decrease of ductility. The microstructure becomes homogeneous as the tensile strength increases when the milling speed increases from 100 rpm to 250 rpm. However, the improvement seems to be less effective than the adoption of a cryomilling technique. Porosity development was considerably dependent not only on consolidation condition but also on powder quality after mechanical alloying. (C) 2013 Elsevier B.V. All rights reserved. C1 [Kim, Jeoung Han; Min, Jeon Yeong; Kim, Seong Woong; Park, Chan Hee] Korea Inst Mat Sci, Special Alloys Grp, Chang Won, South Korea. [Byun, Thak Sang] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Lee, Jae Hoon] POSCO Tech Res Labs, Gwangyang Si 545090, Jeonnam, South Korea. [Kim, Jeoung Han] Hanbat Natl Univ, Dept Adv Mat Engn, Taejon 305719, South Korea. [Lee, Bong Ho] Pohang Univ Sci & Technol POSTECH, Natl Inst Nanomat Technol, Pohang, South Korea. RP Kim, JH (reprint author), Hanbat Natl Univ, Dept Adv Mat Engn, Taejon 305719, South Korea. EM jh.kim@hanbat.ac.kr FU Korea Institute of Materials Science; U.S. Department of Energy, Office of Nuclear Energy [DE-AC05-00OR22725]; UT-Battelle, LLC FX This research was sponsored by the in-house research project of the Korea Institute of Materials Science. It was also sponsored by U.S. Department of Energy, Office of Nuclear Energy under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. Special thanks go to Dr. Heung Man Kim. NR 17 TC 6 Z9 6 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2014 VL 449 IS 1-3 BP 300 EP 307 DI 10.1016/j.jnucmat.2013.09.043 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AI6WX UT WOS:000337018800037 ER PT J AU Straub, DN Nadiga, BT AF Straub, David N. Nadiga, Balasubramanya T. TI Energy Fluxes in the Quasigeostrophic Double Gyre Problem SO JOURNAL OF PHYSICAL OCEANOGRAPHY LA English DT Article ID OCEAN CIRCULATION; GEOPHYSICAL FLOWS; ABYSSAL OCEAN; TURBULENCE; BALANCE AB The classic baroclinic, wind-driven, double gyre problem is considered over a range of deformation radii, wind stress amplitudes, and bottom friction coefficients with the aim of better understanding the transfer of energy across scales. In this beta-plane basin setting, significant differences are found with respect to classic studies of geostrophic turbulence, which generally assume zonal periodicity and for which the beta term does not play a direct role in the energy transfers. In a basin geometry, the beta term can play a direct role in the transfers; for example, it can be the dominant term allowing for energy transfer between the basin scale and the baroclinic mesoscale. It is also found that barotropization of baroclinic energy forces the barotropic mode near scales at which bottom drag damps this mode. Associated with this, the barotropic, nonlinear, inverse energy cascade does not extend between mesoscale injection and large-scale dissipation wavenumbers, as is often assumed. Instead, it is part of a "double cascade" of barotropic energy in which the nonlinear inverse cascade is nearly offset by a forward cascade associated with the beta term. This is particularly evident in weak bottom drag simulations, for which a time eddy-mean decomposition of the flow reveals the double cascade to be associated with the eddy-only terms. C1 [Straub, David N.] McGill Univ, Montreal, PQ H3A 0B9, Canada. [Nadiga, Balasubramanya T.] LANL, Los Alamos, NM USA. RP Straub, DN (reprint author), McGill Univ, 805 Sherbrooke St W, Montreal, PQ H3A 0B9, Canada. EM david.straub@mcgill.ca FU NSERC (Canada); Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory [20110150ER] FX DNS was supported by NSERC (Canada) and also thanks the Center for Nonlinear Studies (CNLS) at the Los Alamos National Laboratory for hosting multiple visits and their hospitality. BTN was supported by the Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory (Project 20110150ER). We also thank two anonymous reviewers for their comments and criticism. NR 26 TC 3 Z9 3 U1 0 U2 5 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0022-3670 EI 1520-0485 J9 J PHYS OCEANOGR JI J. Phys. Oceanogr. PD JUN PY 2014 VL 44 IS 6 BP 1505 EP 1522 DI 10.1175/JPO-D-13-0216.1 PG 18 WC Oceanography SC Oceanography GA AI5EK UT WOS:000336888000001 ER PT J AU Ma, YC Zhu, B Sun, ZZ Zhao, C Yang, Y Piao, SL AF Ma, Yuecun Zhu, Biao Sun, Zhenzhong Zhao, Chuang Yang, Yan Piao, Shilong TI The effects of simulated nitrogen deposition on extracellular enzyme activities of litter and soil among different-aged stands of larch SO JOURNAL OF PLANT ECOLOGY LA English DT Article DE glucosidase; cellobiohydrolase; glucosaminidase; phenol oxidase; Larix plantation ID NORTHERN HARDWOOD FORESTS; ORGANIC-MATTER; MICROBIAL BIOMASS; CARBON; DECOMPOSITION; RESPONSES; CHINA; CHRONOSEQUENCE; ECOSYSTEMS; DYNAMICS AB Aims Nitrogen (N) addition could affect the rate of forest litter and soil organic matter decomposition by regulating extracellular enzyme activity (EEA). The impact of N addition on EEA may differ across different age stands with different organic matter quality. We were interested in whether the impact of N addition on EEA in litter and mineral soil during the growing season was dependent on stand age of a larch plantation in North China. Methods We added three levels of N (0, 20 and 50 kg N ha(-1) year(-1)) in three age stands (11, 20 and 45 years old) of Larix principis-rupprechtii plantation in North China. We measured potential activities of beta-1,4-glucosidase (BG), cellobiohydrolase (CB), beta-1,4-N-acetylglucosaminidase (NAG) and phenol oxidase (PO) in litter (organic horizon) and mineral soil (0-10 cm) during the second growing season after N amendment. We also measured C and N concentrations, microbial biomass C and N, and KCl-extractable ammonium and nitrate in both litter and mineral soil. Important Findings We observed unimodal patterns of EEA during the growing season in all three stands, consistent with the seasonal variations of soil temperature. Stand age had a strong effect on EEA in both litter and mineral soil, and this effect differed between litter and mineral soil as well as between different enzymes. N addition did not significantly affect the activities of BG or CB but significantly suppressed the activity of NAG in litter. We also found stand age-specific responses of PO activity to N addition in both litter and mineral soil. N addition suppressed PO activity of the high C: N ratio litters in 20- and 45-year-old stands but had no significant effect on PO activity of the low C: N ratio litter in 11-year-old stand. Moreover, N addition inhibited PO activity of the high C: N ratio soil in 20-year-old stand but had no significant impact on PO activity of the low C: N ratio soils in 11- and 45-year-old stands. Overall, stand age had a greater effect on EEA in litter and mineral soil compared to 2 years of N addition. Moreover, the effect of N addition on PO activity is stand age dependent, which may affect the long-term soil carbon storage in this forest. C1 [Ma, Yuecun; Sun, Zhenzhong; Zhao, Chuang; Yang, Yan; Piao, Shilong] Peking Univ, Coll Urban & Environm Sci, Minist Educ, Beijing 100871, Peoples R China. [Ma, Yuecun; Sun, Zhenzhong; Zhao, Chuang; Yang, Yan; Piao, Shilong] Peking Univ, Key Lab Earth Surface Proc, Minist Educ, Beijing 100871, Peoples R China. [Zhu, Biao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Piao, SL (reprint author), Peking Univ, Coll Urban & Environm Sci, Minist Educ, Beijing 100871, Peoples R China. EM slpiao@pku.edu.cn RI Zhu, Biao/F-8712-2010 OI Zhu, Biao/0000-0001-9858-7943 FU National Natural Science Foundation of China [41171202, 41125004] FX National Natural Science Foundation of China (#41171202, 41125004). NR 40 TC 3 Z9 5 U1 8 U2 107 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1752-9921 EI 1752-993X J9 J PLANT ECOL JI J. Plant Ecol. PD JUN PY 2014 VL 7 IS 3 BP 240 EP 249 DI 10.1093/jpe/rtt028 PG 10 WC Plant Sciences; Ecology SC Plant Sciences; Environmental Sciences & Ecology GA AI7JE UT WOS:000337063500004 ER PT J AU Covey, C Dai, AG Lindzen, RS Marsh, DR AF Covey, Curt Dai, Aiguo Lindzen, Richard S. Marsh, Daniel R. TI Atmospheric Tides in the Latest Generation of Climate Models SO JOURNAL OF THE ATMOSPHERIC SCIENCES LA English DT Article ID DIURNAL TIDE; VARIABILITY; CMIP5 AB For atmospheric tides driven by solar heating, the database of climate model output used in the most recent assessment report of the Intergovernmental Panel on Climate Change (IPCC) confirms and extends the authors' earlier results based on the previous generation of models. Both the present study and the earlier one examine the surface pressure signature of the tides, but the new database removes a shortcoming of the earlier study in which model simulations were not strictly comparable to observations. The present study confirms an approximate consistency among observations and all model simulations, despite variation of model tops from 31 to 144 km. On its face, this result is surprising because the dominant (semidiurnal) component of the tides is forced mostly by ozone heating around 30-70-km altitude. Classical linear tide calculations and occasional numerical experimentation have long suggested that models with low tops achieve some consistency with observations by means of compensating errors, with wave reflection from the model top making up for reduced ozone forcing. Future work with the new database may confirm this hypothesis by additional classical calculations and analyses of the ozone heating profiles and wave reflection in Coupled Model Intercomparison Project (CMIP) models. The new generation of models also extends CMIP's purview to free-atmosphere fields including the middle atmosphere and above. C1 [Covey, Curt] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA USA. [Dai, Aiguo] SUNY Albany, Albany, NY 12222 USA. [Lindzen, Richard S.] MIT, Cambridge, MA 02139 USA. [Marsh, Daniel R.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Covey, C (reprint author), LLNL Mail Code L-103,7000 East Ave, Livermore, CA 94550 USA. EM coveyl@llnl.gov RI Marsh, Daniel/A-8406-2008; Dai, Aiguo/D-3487-2009 OI Marsh, Daniel/0000-0001-6699-494X; FU DOE Office of Science by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; National Center for Atmospheric Research FX We appreciate reviewers stressing the distinction between diurnal and semidiurnal tide forcing. We acknowledge the Working Group on Coupled Modeling, which oversees CMIP, and thank the climate modeling groups (Table 1) for their output. For CMIP, the U.S. Department of Energy's Program for Climate Model Diagnosis and Intercomparison provides coordinating support and software infrastructure in partnership with the Global Organization for Earth System Science Portals. This work was performed under auspices of the DOE Office of Science by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and at the National Center for Atmospheric Research. NR 25 TC 1 Z9 1 U1 0 U2 12 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0022-4928 EI 1520-0469 J9 J ATMOS SCI JI J. Atmos. Sci. PD JUN PY 2014 VL 71 IS 6 BP 1905 EP 1913 DI 10.1175/JAS-D-13-0358.1 PG 9 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AI5CL UT WOS:000336882900001 ER PT J AU Ingersoll, RV Pratt, MJ Davis, PM Caracciolo, L Day, PP Hayne, PO Petrizzo, DA Gingrich, DA Cavazza, W Critelli, S Diamond, DS Coffey, KT Stang, DM Hoyt, JF Reith, RC Hendrix, ED AF Ingersoll, Raymond V. Pratt, Mark J. Davis, Paul M. Caracciolo, Luca Day, Paul P. Hayne, Paul O. Petrizzo, Daniel A. Gingrich, David A. Cavazza, William Critelli, Salvatore Diamond, David S. Coffey, Kevin T. Stang, Dallon M. Hoyt, Johanna F. Reith, Robin C. Hendrix, Eric D. TI Paleotectonics of a complex Miocene half graben formed above a detachment fault: The Diligencia basin, Orocopia Mountains, southern California SO LITHOSPHERE LA English DT Article ID SOUTHWESTERN UNITED-STATES; WESTERN TRANSVERSE RANGES; GULF-OF-CALIFORNIA; SOUTHEASTERN CALIFORNIA; DETRITAL MODES; PALEOMAGNETIC VECTORS; TECTONIC ROTATION; FRACTURE-ZONE; EVOLUTION; PROVENANCE AB The Diligencia basin in the Orocopia Mountains of southeastern California has been one of the primary areas used to test the hypothesis of more than 300 km of dextral slip along the combined San Andreas/San Gabriel fault system. The Orocopia Mountains have also been the focus of research on deposition, deformation, metamorphism, uplift and exposure of the Orocopia Schist, which resulted from flat-slab subduction during the latest Cretaceous/Paleogene Laramide orogeny. The uppermost Oligocene/Lower Miocene Diligencia Formation consists of more than 1500 m of nonmarine strata, including basalt flows and intrusions dated at 24-21 Ma. The base of the Diligencia Formation sits nonconformably on Proterozoic augen gneiss and related units along the southern basin boundary, where low-gradient alluvial fans extended into playa-lacustrine environments to the northeast. The northern basal conglomerate of the Diligencia Formation, which was derived from granitic rocks in the Hayfield Mountains to the north, sits unconformably on the Eocene Maniobra Formation. The northern basal conglomerate is overlain by more than 300 m of mostly red sandstone, conglomerate, mudrock and tuff. The basal conglomerate thins and fines westward; paleocurrent measurements suggest deposition on alluvial fans derived from the northeast, an interpretation consistent with a NW-SE-trending normal fault (present orientation) as the controlling structure of the half graben formed during early Diligencia deposition. This fault is hereby named the Diligencia fault, and is interpreted as a SW-dipping normal fault, antithetic to the Orocopia Mountains detachment and related faults. Deposition of the upper Diligencia Formation was influenced by a NE-dipping normal fault, synthetic with, and closer to, the exposed detachment faults. The Diligencia Formation is nonconformable on Mesozoic granitoids in the northwest part of the basin. Palinspastic restoration of the Orocopia Mountain area includes the following phases, each of which corresponds with microplate-capture events along the southern California continental margin: (1) Reversal of 240 km of dextral slip on the San Andreas fault (including the Punchbowl and other fault strands) in order to align the San Francisquito-Fenner-Orocopia Mountains detachment-fault system at 6 Ma. (2) Reversal of N-S shortening and 90 degrees of clockwise rotation of the Diligencia basin and Orocopia Mountains, and 40 km of dextral slip on the San Gabriel fault between 12 and 6 Ma. (3) Reversal of 40 degrees of clockwise rotation of the San Gabriel block (including Soledad basin and Sierra Pelona) and 30 km of dextral slip on the Canton fault between 18 and 12 Ma. These palinspastic restorations result in a coherent set of SW-NE-trending normal faults, basins (including Diligenica basin) and antiformal structures consistent with NW-SE-directed crustal extension from 24 to 18 Ma, likely resulting from the unstable configuration of the Mendocino triple junction. C1 [Ingersoll, Raymond V.; Pratt, Mark J.; Davis, Paul M.; Day, Paul P.; Hayne, Paul O.; Petrizzo, Daniel A.; Gingrich, David A.; Coffey, Kevin T.; Stang, Dallon M.; Hoyt, Johanna F.; Reith, Robin C.; Hendrix, Eric D.] Univ Calif Los Angeles, Dept Earth Planetary & Space Sci, Los Angeles, CA 90095 USA. [Caracciolo, Luca; Critelli, Salvatore] Univ Calabria, Dipartimento Sci Terra, I-87036 Cosenza, Italy. [Hayne, Paul O.] CALTECH, Jet Prop Lab, Pasadena, CA 91101 USA. [Cavazza, William] Univ Bologna, Dipartimento Scie Biol Geol & Ambientali, I-40126 Bologna, Italy. [Diamond, David S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Restorat Program, Berkeley, CA 94720 USA. [Stang, Dallon M.; Hoyt, Johanna F.] Aera Energy LLC, Bakersfield, CA 93311 USA. [Reith, Robin C.] Occidental Oil & Gas Corp, Long Beach, CA 90801 USA. [Hendrix, Eric D.] Earth Consultants Int Inc, Santa Ana, CA 92701 USA. RP Ingersoll, RV (reprint author), Univ Calif Los Angeles, Dept Earth Planetary & Space Sci, Los Angeles, CA 90095 USA. EM ringer@ess.ucla.edu FU Department of Earth, Planetary and Space Sciences; Academic Senate of UCLA FX We gratefully acknowledge gravity and magnetic measurements made by students and staff on joint Caltech-UCLA field trips in 2009 and 2011, using shared geophysical equipment. The Department of Earth, Planetary and Space Sciences, and the Academic Senate of UCLA provided logistical and financial support for this project. We also thank students and teaching assistants from many years of ESS 111 classes for their help and insights. NR 112 TC 1 Z9 1 U1 1 U2 8 PU GEOLOGICAL SOC AMER, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 1941-8264 EI 1947-4253 J9 LITHOSPHERE-US JI Lithosphere PD JUN PY 2014 VL 6 IS 3 BP 157 EP 176 DI 10.1130/L334.1 PG 20 WC Geochemistry & Geophysics; Geology SC Geochemistry & Geophysics; Geology GA AI5NY UT WOS:000336916600002 ER PT J AU Alamouti, SM Haridas, S Feau, N Robertson, G Bohlmann, J Breuil, C AF Alamouti, Sepideh Massoumi Haridas, Sajeet Feau, Nicolas Robertson, Gordon Bohlmann, Joerg Breuil, Colette TI Comparative Genomics of the Pine Pathogens and Beetle Symbionts in the Genus Grosmannia SO MOLECULAR BIOLOGY AND EVOLUTION LA English DT Article DE fungi; beetle; genomics; pathogen; pine; symbiont ID DENDROCTONUS-PONDEROSAE; LODGEPOLE PINE; OPHIOSTOMA-CLAVIGERUM; POPULATION-STRUCTURE; MAXIMUM-LIKELIHOOD; FILAMENTOUS FUNGI; GENETIC-VARIATION; BRITISH-COLUMBIA; SEQUENCE DATA; CRYPTOCOCCUS-NEOFORMANS AB Studies on beetle/tree fungal symbionts typically characterize the ecological and geographic distributions of the fungal populations. There is limited understanding of the genome-wide evolutionary processes that act within and between species as such fungi adapt to different environments, leading to physiological differences and reproductive isolation. Here, we assess genomic evidence for such evolutionary processes by extending our recent work on Grosmannia clavigera, which is vectored by the mountain pine beetle and jeffrey pine beetle. We report the genome sequences of an additional 11 G. clavigera (Gc) sensu lato strains from the two known sibling species, Grosmannia sp. (Gs) and Gc. The 12 fungal genomes are structurally similar, showing large-scale synteny within and between species. We identified 103,430 single-nucleotide variations that separated the Grosmannia strains into divergent Gs and Gc clades, and further divided each of these clades into two subclades, one of which may represent an additional species. Comparing variable genes between these lineages, we identified truncated genes and potential pseudogenes, as well as seven genes that show evidence of positive selection. As these variable genes are involved in secondary metabolism and in detoxifying or utilizing host-tree defense chemicals (e.g., polyketide synthases, oxidoreductases, and mono-oxygenases), their variants may reflect adaptation to the specific chemistries of the host trees Pinus contorta, P. ponderosa, and P. jeffreyi. This work provides a comprehensive resource for developing informative markers for landscape population genomics of these ecologically and economically important fungi, and an approach that could be extended to other beetle-tree-associated fungi. C1 [Alamouti, Sepideh Massoumi; Haridas, Sajeet; Breuil, Colette] Univ British Columbia, Dept Wood Sci, Vancouver, BC V5Z 1M9, Canada. [Haridas, Sajeet] DOE Joint Genome Inst, Walnut Creek, CA USA. [Feau, Nicolas; Bohlmann, Joerg] Univ British Columbia, Dept Forest & Conservat Sci, Vancouver, BC V5Z 1M9, Canada. [Robertson, Gordon] British Columbia Canc Agcy, Genome Sci Ctr, Vancouver, BC V5Z 4E6, Canada. [Bohlmann, Joerg] Univ British Columbia, Michael Smith Labs, Vancouver, BC V5Z 1M9, Canada. RP Breuil, C (reprint author), Univ British Columbia, Dept Wood Sci, Vancouver, BC V5Z 1M9, Canada. EM Colette.Breuil@ubc.ca FU Natural Sciences and Engineering Research Council of Canada (NSERC); Genome Canada; Genome BCGenome Alberta FX The authors thank Canada's Michael Smith Genome Science Center (Vancouver, BC, Canada) for sequencing the 11 Grosmannia genomes. The authors would like to recognize the excellent technical work of Lynette Lim in the CB laboratory. They greatly benefited from discussions with Mary Berbee, Kermit Ritland, Sally Otto, and Ye Wang, whose suggestions improved the manuscript. They thank Dr Richard Hamelin for allowing us to use the selection analysis pipeline developed for the TAIGA project (Tree Agressors Identification using Genomics Approaches) founded by Genome BC and Genome Canada. They thank Ms Karen Reid for excellent project management of the Tria project. This work was supported by grants from the Natural Sciences and Engineering Research Council of Canada (NSERC) to J.B. and C. B. and by Genome Canada, Genome BC, and Genome Alberta to J. B. and C. B., which supported the Tria project (www.thetriaproject.ca). NR 131 TC 1 Z9 1 U1 5 U2 31 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0737-4038 EI 1537-1719 J9 MOL BIOL EVOL JI Mol. Biol. Evol. PD JUN PY 2014 VL 31 IS 6 BP 1454 EP 1474 DI 10.1093/molbev/msu102 PG 21 WC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity GA AI7KD UT WOS:000337067400014 ER PT J AU Taatjes, CA Shallcross, DE Percival, CJ AF Taatjes, Craig A. Shallcross, Dudley E. Percival, Carl J. TI ATMOSPHERIC CHEMISTRY Intermediates just want to react SO NATURE CHEMISTRY LA English DT News Item ID ABSORPTION SPECTRUM; CH2OO C1 [Taatjes, Craig A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Shallcross, Dudley E.] Univ Bristol, Sch Chem, Biogeochem Res Ctr, Bristol BS8 1TS, Avon, England. [Percival, Carl J.] Univ Manchester, Ctr Atmospher Sci, Sch Earth Atmospher & Environm Sci, Manchester M13 9PL, Lancs, England. RP Taatjes, CA (reprint author), Sandia Natl Labs, Combust Res Facil, Mailstop 9055, Livermore, CA 94551 USA. EM cataatj@sandia.gov; D.E.Shallcross@bristol.ac.uk; C.Percival@manchester.ac.uk NR 8 TC 2 Z9 2 U1 1 U2 39 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD JUN PY 2014 VL 6 IS 6 BP 461 EP 462 DI 10.1038/nchem.1966 PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA AI5IA UT WOS:000336897800003 PM 24848227 ER PT J AU Yost, SR Lee, J Wilson, MWB Wu, T McMahon, DP Parkhurst, RR Thompson, NJ Congreve, DN Rao, A Johnson, K Sfeir, MY Bawendi, MG Swager, TM Friend, RH Baldo, MA Van Voorhis, T AF Yost, Shane R. Lee, Jiye Wilson, Mark W. B. Wu, Tony McMahon, David P. Parkhurst, Rebecca R. Thompson, Nicholas J. Congreve, Daniel N. Rao, Akshay Johnson, Kerr Sfeir, Matthew Y. Bawendi, Moungi G. Swager, Timothy M. Friend, Richard H. Baldo, Marc A. Van Voorhis, Troy TI A transferable model for singlet-fission kinetics SO NATURE CHEMISTRY LA English DT Article ID ELECTRON-TRANSFER; EXCITON-FISSION; CRYSTALLINE TETRACENE; LARGE MOLECULES; THIN-FILM; PENTACENE; TRIPLET; FLUORESCENCE; DYNAMICS; STATES AB Exciton fission is a process that occurs in certain organic materials whereby one singlet exciton splits into two independent triplets. In photovoltaic devices these two triplet excitons can each generate an electron, producing quantum yields per photon of >100% and potentially enabling single-junction power efficiencies above 40%. Here, we measure fission dynamics using ultrafast photoinduced absorption and present a first-principles expression that successfully reproduces the fission rate in materials with vastly different structures. Fission is non-adiabatic and Marcus-like in weakly interacting systems, becoming adiabatic and coupling-independent at larger interaction strengths. In neat films, we demonstrate fission yields near unity even when monomers are separated by >5 angstrom. For efficient solar cells, however, we show that fission must outcompete charge generation from the singlet exciton. This work lays the foundation for tailoring molecular properties like solubility and energy level alignment while maintaining the high fission yield required for photovoltaic applications. C1 [Yost, Shane R.; Wilson, Mark W. B.; McMahon, David P.; Parkhurst, Rebecca R.; Bawendi, Moungi G.; Swager, Timothy M.; Van Voorhis, Troy] MIT, Dept Chem, Cambridge, MA 02139 USA. [Lee, Jiye; Wu, Tony; Thompson, Nicholas J.; Congreve, Daniel N.; Baldo, Marc A.] MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. [Rao, Akshay; Johnson, Kerr] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. [Sfeir, Matthew Y.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Yost, SR (reprint author), MIT, Dept Chem, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM rhf10@cam.ac.uk; baldo@mit.edu; tvan@mit.edu RI Swager, Timothy/H-7459-2012; OI Sfeir, Matthew/0000-0001-5619-5722; Swager, Timothy/0000-0002-3577-0510; , /0000-0002-2914-3561; Rao, Akshay/0000-0003-4261-0766; Rao, Akshay/0000-0003-0320-2962 FU Center for Excitonics, an Energy Frontier Research Center - US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001088]; Engineering and Physical Sciences Research Council; Corpus Christi College, Cambridge; US Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work was supported as part of the Center for Excitonics, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences (award no. DE-SC0001088, MIT). The measurements on pentacene, TIPS-P and DTP were supported by the Engineering and Physical Sciences Research Council. A.R. thanks Corpus Christi College, Cambridge, for a research fellowship. Research was 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 (contract no. DE-AC02-98CH10886). The authors thank E. Hontz for discussions, C. Hanson for assistance with spectroscopy and B. Fernandez, T. L. Andrew and L. Liufor help with sample preparation and crystallization. NR 48 TC 104 Z9 105 U1 18 U2 209 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD JUN PY 2014 VL 6 IS 6 BP 492 EP 497 DI 10.1038/NCHEM.1945 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA AI5IA UT WOS:000336897800010 PM 24848234 ER PT J AU Fort, A Hashimoto, K Yamada, D Salimullah, M Keya, CA Saxena, A Bonetti, A Voineagu, I Bertin, N Kratz, A Noro, Y Wong, CH de Hoon, M Andersson, R Sandelin, A Suzuki, H Wei, CL Koseki, H Hasegawa, Y Forrest, ARR Carninci, P AF Fort, Alexandre Hashimoto, Kosuke Yamada, Daisuke Salimullah, Md Keya, Chaman A. Saxena, Alka Bonetti, Alessandro Voineagu, Irina Bertin, Nicolas Kratz, Anton Noro, Yukihiko Wong, Chee-Hong de Hoon, Michiel Andersson, Robin Sandelin, Albin Suzuki, Harukazu Wei, Chia-Lin Koseki, Haruhiko Hasegawa, Yuki Forrest, Alistair R. R. Carninci, Piero CA FANTOM Consortium TI Deep transcriptome profiling of mammalian stem cells supports a regulatory role for retrotransposons in pluripotency maintenance SO NATURE GENETICS LA English DT Article ID LONG NONCODING RNAS; TRANSPOSABLE ELEMENTS; GENE-EXPRESSION; MOUSE EPIBLAST; HUMAN GENOME; HOST GENES; DIFFERENTIATION; LANDSCAPE; ENHANCERS; CIRCUITRY AB The importance of microRNAs and long noncoding RNAs in the regulation of pluripotency has been documented; however, the noncoding components of stem cell gene networks remain largely unknown. Here we investigate the role of noncoding RNAs in the pluripotent state, with particular emphasis on nuclear and retrotransposon-derived transcripts. We have performed deep profiling of the nuclear and cytoplasmic transcriptomes of human and mouse stem cells, identifying a class of previously undetected stem cell specific transcripts. We show that long terminal repeat (LTR)-derived transcripts contribute extensively to the complexity of the stem cell nuclear transcriptome. Some LTR-derived transcripts are associated with enhancer regions and are likely to be involved in the maintenance of pluripotency. C1 [Fort, Alexandre; Hashimoto, Kosuke; Salimullah, Md; Keya, Chaman A.; Saxena, Alka; Bonetti, Alessandro; Voineagu, Irina; Bertin, Nicolas; Kratz, Anton; Noro, Yukihiko; de Hoon, Michiel; Suzuki, Harukazu; Hasegawa, Yuki; Forrest, Alistair R. R.; Carninci, Piero] RIKEN, Ctr Life Sci Technol, Div Genom Technol, Yokohama, Kanagawa, Japan. [Yamada, Daisuke; Koseki, Haruhiko] RIKEN Ctr Integrat Med Sci, Lab Dev Genet, Yokohama, Kanagawa, Japan. [Wong, Chee-Hong; Wei, Chia-Lin] Lawrence Berkeley Natl Lab, Joint Genome Inst, Sequencing Technol Grp, Walnut Creek, CA USA. [Andersson, Robin; Sandelin, Albin] Univ Copenhagen, Dept Biol, Bioinformat Ctr, Copenhagen, Denmark. [Andersson, Robin; Sandelin, Albin] Univ Copenhagen, Biotech Res & Innovat Ctr, Copenhagen, Denmark. RP Carninci, P (reprint author), RIKEN, Ctr Life Sci Technol, Div Genom Technol, Yokohama, Kanagawa, Japan. EM carninci@riken.jp RI Koseki, Haruhiko/I-3825-2014; Carninci, Piero/K-1568-2014; Sandelin, Albin/G-2881-2011; Andersson, Robin/B-5311-2009; de Hoon, Michiel/N-8006-2015; Suzuki, Harukazu/N-9553-2015; Bertin, Nicolas/C-3025-2008; OI Forrest, Alistair/0000-0003-4543-1675; Koseki, Haruhiko/0000-0001-8424-5854; Carninci, Piero/0000-0001-7202-7243; Sandelin, Albin/0000-0002-7109-7378; Andersson, Robin/0000-0003-1516-879X; Suzuki, Harukazu/0000-0002-8087-0836; Bertin, Nicolas/0000-0002-9835-9606; Kratz, Anton/0000-0002-6262-4404 FU Japan Society for the Promotion of Science (JSPS) through the Funding Program for Next-Generation World-Leading Researchers (NEXT); Council for Science and Technology Policy (CSTP); JSPS [P10782]; Japanese Ministry of Education, Culture, Sports, Science and Technology (MEXT); MEXT Japan; MEXT; Swiss National Science Foundation [PA00P3_142122]; European Union; Sigrid Juselius Foundation; Japan Science and Technology Agency CREST; ERC [204135]; Novo Nordisk Foundation; Lundbeck Foundation; Danish Cancer Society FX The authors thank the RIKEN GeNAS sequencing platform for sequencing of the libraries. This work was supported by a grant to P.C. from the Japan Society for the Promotion of Science (JSPS) through the Funding Program for Next-Generation World-Leading Researchers (NEXT) initiated by the Council for Science and Technology Policy (CSTP), by a grand-in-aid for scientific research from JSPS to P.C. and A.F., and by a research grant from the Japanese Ministry of Education, Culture, Sports, Science and Technology (MEXT) to the RIKEN Center for Life Science Technologies. FANTOM5 was made possible by a research grant for the RIKEN Omics Science Center from MEXT Japan to Y. Hayashizaki and by a grant for Innovative Cell Biology by Innovative Technology (Cell Innovation Program) from MEXT to Y. Hayashizaki. A.F. was supported by a JSPS long-term fellowship (P10782) and by a Swiss National Science Foundation Fellowship for Advanced Researchers (PA00P3_142122). K.H. was supported by European Union Framework Programme 7 (MODHEP project) for P.C. A.B. was supported by the Sigrid Juselius Foundation Fellowship. D.Y. and H.K. were supported by the Japan Science and Technology Agency CREST. R.A. and A. Sandelin were supported by funds from FP7/2007-2013/ERC grant agreement 204135, the Novo Nordisk Foundation, the Lundbeck Foundation and the Danish Cancer Society. NR 50 TC 72 Z9 73 U1 1 U2 20 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1061-4036 EI 1546-1718 J9 NAT GENET JI Nature Genet. PD JUN PY 2014 VL 46 IS 6 BP 558 EP 566 DI 10.1038/ng.2965 PG 9 WC Genetics & Heredity SC Genetics & Heredity GA AI4XU UT WOS:000336870700011 PM 24777452 ER PT J AU Li, X Ma, XH Su, D Liu, L Chisnell, R Ong, SP Chen, HL Toumar, A Idrobo, JC Lei, YC Bai, JM Wang, F Lynn, JW Lee, YS Ceder, G AF Li, Xin Ma, Xiaohua Su, Dong Liu, Lei Chisnell, Robin Ong, Shyue Ping Chen, Hailong Toumar, Alexandra Idrobo, Juan-Carlos Lei, Yuechuan Bai, Jianming Wang, Feng Lynn, Jeffrey W. Lee, Young S. Ceder, Gerbrand TI Direct visualization of the Jahn-Teller effect coupled to Na ordering in Na5/8MnO2 SO NATURE MATERIALS LA English DT Article ID BATTERIES; OXIDES AB The cooperative Jahn-Teller effect (CJTE) refers to the correlation of distortions arising from individual Jahn-Teller centres in complex compounds(1,2). The effect usually induces strong coupling between the static or dynamic charge, orbital and magnetic ordering, which has been related to many important phenomena such as colossal magnetoresistance(1,3) and superconductivity(1,4). Here we report a Na5/8MnO2 superstructure with a pronounced static CJTE that is coupled to an unusual Na vacancy ordering. We visualize this coupled distortion and Na ordering down to the atomic scale. The Mn planes are periodically distorted by a charge modulation on the Mn stripes, which in turn drives an unusually large displacement of some Na ions through long-ranged Na-O-Mn3+-O-Na interactions into a highly distorted octahedral site. At lower temperatures, magnetic order appears, in which Mn atomic stripes with different magnetic couplings are interwoven with each other. Our work demonstrates the strong interaction between alkali ordering, displacement, and electronic and magnetic structure, and underlines the important role that structural details play in determining electronic behaviour. C1 [Li, Xin; Ma, Xiaohua; Liu, Lei; Ong, Shyue Ping; Chen, Hailong; Toumar, Alexandra; Lei, Yuechuan; Ceder, Gerbrand] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Chisnell, Robin; Lee, Young S.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Idrobo, Juan-Carlos] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Bai, Jianming] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Wang, Feng] Brookhaven Natl Lab, Sustainable Energy Technol Dept, Upton, NY 11973 USA. [Lynn, Jeffrey W.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Ceder, G (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. EM gceder@mit.edu RI Idrobo, Juan/H-4896-2015; Bai, Jianming/O-5005-2015; Chen, Hailong/B-3998-2011; Su, Dong/A-8233-2013; liu, lei/M-6396-2016; Ong, Shyue Ping/D-7573-2014 OI Idrobo, Juan/0000-0001-7483-9034; Chen, Hailong/0000-0001-8283-2860; Su, Dong/0000-0002-1921-6683; liu, lei/0000-0003-3631-1874; Ong, Shyue Ping/0000-0001-5726-2587 FU Samsung Advanced Institute of Technology; US Department of Energy (DOE), Office of Basic Energy Sciences [DE-AC02-98CH10886]; DOE [DE-FG02-07ER46134]; DOE-EERE under the Batteries for Advanced Transportation Technologies (BATT) Program [DE-AC02-98CH10886]; MRSEC Program of the National Science Foundation [DMR-0819762]; 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 supported by the Samsung Advanced Institute of Technology. The STEM work carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory (BNL), was supported by the US Department of Energy (DOE), Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. The neutron scattering activities by Y.S.L. were supported by DOE under Grant No. DE-FG02-07ER46134. Use of the National Synchrotron Light Source, BNL, was supported by the DOE, Office of Science, Office of Basic Energy Sciences, and by DOE-EERE under the Batteries for Advanced Transportation Technologies (BATT) Program, under Contract No. DE-AC02-98CH10886. The identification of commercial product or trade name does not imply recommendation by the National Institute of Standards and Technology. This work made use of the Shared Experimental Facilities supported in part by the MRSEC Program of the National Science Foundation under award number DMR-0819762. This work was also supported by a user project of 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. We appreciate the assistance with magnetic SQUID measurements from S. Chu at MIT. NR 30 TC 57 Z9 57 U1 14 U2 133 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 JUN PY 2014 VL 13 IS 6 BP 586 EP 592 DI 10.1038/NMAT3964 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA AI3TQ UT WOS:000336787000019 PM 24836735 ER PT J AU Lin, JH Cretu, O Zhou, W Suenaga, K Prasai, D Bolotin, KI Cuong, NT Otani, M Okada, S Lupini, AR Idrobo, JC Caudel, D Burger, A Ghimire, NJ Yan, JQ Mandrus, DG Pennycook, SJ Pantelides, ST AF Lin, Junhao Cretu, Ovidiu Zhou, Wu Suenaga, Kazu Prasai, Dhiraj Bolotin, Kirill I. Cuong, Nguyen Thanh Otani, Minoru Okada, Susumu Lupini, Andrew R. Idrobo, Juan-Carlos Caudel, Dave Burger, Arnold Ghimire, Nirmal J. Yan, Jiaqiang Mandrus, David G. Pennycook, Stephen J. Pantelides, Sokrates T. TI Flexible metallic nanowires with self-adaptive contacts to semiconducting transition-metal dichalcogenide monolayers SO NATURE NANOTECHNOLOGY LA English DT Article ID SINGLE-LAYER MOS2; MOLYBDENUM-DISULFIDE; ELECTRON-MICROSCOPE; INTEGRATED-CIRCUITS; RADIATION-DAMAGE; MO6S6 NANOWIRES; GOLD ATOMS; TRANSISTORS AB In the pursuit of ultrasmall electronic components(1-5), monolayer electronic devices have recently been fabricated using transition-metal dichalcogenides(6-8). Monolayers of these materials are semiconducting, but nanowires with stoichiometry MX (M = Mo or W, X = S or Se) have been predicted to be metallic(9,10). Such nanowires have been chemically synthesized(11-13). However, the controlled connection of individual nanowires to monolayers, an important step in creating a two-dimensional integrated circuit, has so far remained elusive. In this work, by steering a focused electron beam, we directly fabricate MX nanowires that are less than a nanometre in width and Y junctions that connect designated points within a transition-metal dichalcogenide monolayer. In situ electrical measurements demonstrate that these nanowires are metallic, so they may serve as interconnects in future flexible nanocircuits fabricated entirely from the same monolayer. Sequential atom-resolved Z-contrast images reveal that the nanowires rotate and flex continuously under momentum transfer from the electron beam, while maintaining their structural integrity. They therefore exhibit self-adaptive connections to the monolayer from which they are sculpted. We find that the nanowires remain conductive while undergoing severe mechanical deformations, thus showing promise for mechanically robust flexible electronics. Density functional theory calculations further confirm the metallicity of the nanowires and account for their beam-induced mechanical behaviour. These results show that direct patterning of one-dimensional conducting nanowires in two-dimensional semiconducting materials with nanometre precision is possible using electron-beam-based techniques. C1 [Lin, Junhao; Bolotin, Kirill I.; Caudel, Dave; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Lin, Junhao; Zhou, Wu; Lupini, Andrew R.; Ghimire, Nirmal J.; Yan, Jiaqiang; Mandrus, David G.; Pantelides, Sokrates T.] Oak Ridge Natl Lab, Mat Sci Technol Div, Oak Ridge, TN 37831 USA. [Cretu, Ovidiu; Suenaga, Kazu; Cuong, Nguyen Thanh; Otani, Minoru] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058565, Japan. [Prasai, Dhiraj] Vanderbilt Univ, Interdisciplinary Grad Program Mat Sci, Nashville, TN 37235 USA. [Okada, Susumu] Univ Tsukuba, Grad Sch Pure & Appl Sci, Tsukuba, Ibaraki 3058571, Japan. [Idrobo, Juan-Carlos] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Caudel, Dave; Burger, Arnold] Fisk Univ, Dept Phys, Nashville, TN 37208 USA. [Ghimire, Nirmal J.; Mandrus, David G.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Yan, Jiaqiang; Mandrus, David G.; Pennycook, Stephen J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Lin, JH (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. EM junhao.lin@vanderbilt.edu; wu.zhou.stem@gmail.com RI Mandrus, David/H-3090-2014; Suenaga, Kazu/E-2339-2014; Zhou, Wu/D-8526-2011; Okada, Susumu/D-7461-2012; Lin, Junhao/D-7980-2015; Idrobo, Juan/H-4896-2015; Cuong, Nguyen Thanh/C-9053-2011; Cretu, Ovidiu/N-3437-2016; Bolotin, Kirill/O-5101-2016 OI Suenaga, Kazu/0000-0002-6107-1123; Zhou, Wu/0000-0002-6803-1095; Lin, Junhao/0000-0002-2195-2823; Idrobo, Juan/0000-0001-7483-9034; Cuong, Nguyen Thanh/0000-0003-1085-3448; Cretu, Ovidiu/0000-0002-1822-8172; FU US Department of Energy (DOE) [DE-FG02-09ER46554]; US DOE; Office of Basic Energy Sciences, Materials Sciences and Engineering Division, US DOE; ORNL's Center for Nanophase Materials Sciences (CNMS) - Scientific User Facilities Division, Office of Basic Energy Sciences, US DOE; ONR [N000141310299]; Office of Science of the US DOE [DE-AC02-05CH11231]; Japan Science and Technology Agency (JST); JST-CREST FX The authors thank H. Conley for helping with the transfer of the samples, E. Rowe, E. Tupitsyn and P. Bhattacharya for early technical assistance on the samples, and R. Ishikawa, R. Mishra, B. Wang and J. Lou for discussions. This research was supported in part by the US Department of Energy (DOE; grant DE-FG02-09ER46554 to J. L. and S. T. P.), a Wigner Fellowship through the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC, for the US DOE (W.Z.), the Office of Basic Energy Sciences, Materials Sciences and Engineering Division, US DOE (A. R. L., N.J.G., J.Q.Y., D. G. M., S. J. P. 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, US DOE (J. C. I.). K. I. B. and D. P. were supported by ONR N000141310299. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US DOE (contract no. DE-AC02-05CH11231). O.C. and K. S. acknowledge the Japan Science and Technology Agency (JST) research acceleration programme for financial support. N.T.C., M.O. and S.O. acknowledge support from the JST-CREST programme. NR 28 TC 45 Z9 45 U1 18 U2 187 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 JUN PY 2014 VL 9 IS 6 BP 436 EP 442 DI 10.1038/NNANO.2014.81 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AI6HB UT WOS:000336971600014 PM 24776648 ER PT J AU King, PDC Wei, HI Nie, YF Uchida, M Adamo, C Zhu, S He, X Bozovic, I Schlom, DG Shen, KM AF King, P. D. C. Wei, H. I. Nie, Y. F. Uchida, M. Adamo, C. Zhu, S. He, X. Bozovic, I. Schlom, D. G. Shen, K. M. TI Atomic-scale control of competing electronic phases in ultrathin LaNiO3 SO NATURE NANOTECHNOLOGY LA English DT Article ID RNIO3 R; OXIDE; TRANSITIONS AB In an effort to scale down electronic devices to atomic dimensions(1), the use of transition-metal oxides may provide advantages over conventional semiconductors. Their high carrier densities and short electronic length scales are desirable for miniaturization(2), while strong interactions that mediate exotic phase diagrams(3) open new avenues for engineering emergent properties(4,5). Nevertheless, understanding how their correlated electronic states can be manipulated at the nanoscale remains challenging. Here, we use angle-resolved photoemission spectroscopy to uncover an abrupt destruction of Fermi liquid-like quasiparticles in the correlated metal LaNiO3 when confined to a critical film thickness of two unit cells. This is accompanied by the onset of an insulating phase as measured by electrical transport. We show how this is driven by an instability to an incipient order of the underlying quantum many-body system, demonstrating the power of artificial confinement to harness control over competing phases in complex oxides with atomic-scale precision. C1 [King, P. D. C.; Schlom, D. G.; Shen, K. M.] Kavli Inst Cornell Nanoscale Sci, Ithaca, NY 14853 USA. [King, P. D. C.; Wei, H. I.; Nie, Y. F.; Uchida, M.; Shen, K. M.] Cornell Univ, Dept Phys, Lab Atom & Solid State Phys, Ithaca, NY 14853 USA. [Nie, Y. F.; Adamo, C.; Zhu, S.; Schlom, D. G.] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA. [He, X.; Bozovic, I.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP King, PDC (reprint author), Kavli Inst Cornell Nanoscale Sci, Ithaca, NY 14853 USA. EM kmshen@cornell.edu RI King, Philip/D-3809-2014; Uchida, Masaki/D-3710-2012; Nie, Yuefeng/L-8071-2013; Uchida, Masaki/I-1660-2014 OI King, Philip/0000-0002-6523-9034; Uchida, Masaki/0000-0002-0735-8844; Nie, Yuefeng/0000-0002-3449-5393; Uchida, Masaki/0000-0002-0735-8844 FU Office of Naval Research [N00014-12-1-0791]; National Science Foundation (NSF) through the MRSEC (Cornell Center for Materials Research) [DMR-1120296]; National Science Foundation [ECCS-0335765]; US Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; NSF IGERT [DGE-0654193] FX This work was supported by the Office of Naval Research (grant no. N00014-12-1-0791), the National Science Foundation (NSF) through the MRSEC programme (Cornell Center for Materials Research, DMR-1120296) and was performed in part at the Cornell NanoScale Facility, a member of the National Nanotechnology Infrastructure Network, which is supported by the National Science Foundation (grant ECCS-0335765). X. He and I. Bozovic were supported by the US Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. H.I. Wei acknowledges support from the NSF IGERT programme (DGE-0654193). The authors thank A. Georges, C.A. Marianetti, A.J. Millis, J.A. Mundy, T. W. Noh, and C.J. Palmstrom for discussions. NR 33 TC 34 Z9 34 U1 9 U2 99 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 JUN PY 2014 VL 9 IS 6 BP 443 EP 447 DI 10.1038/NNANO.2014.59 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AI6HB UT WOS:000336971600015 PM 24705511 ER PT J AU Chini, M Wang, XW Cheng, Y Wang, H Wu, Y Cunningham, E Li, PC Heslar, J Telnov, DA Chu, SI Chang, ZH AF Chini, Michael Wang, Xiaowei Cheng, Yan Wang, He Wu, Yi Cunningham, Eric Li, Peng-Cheng Heslar, John Telnov, Dmitry A. Chu, Shih-I Chang, Zenghu TI Coherent phase-matched VUV generation by field-controlled bound states SO NATURE PHOTONICS LA English DT Article ID HIGH-HARMONIC-GENERATION; DENSITY-FUNCTIONAL THEORY; MULTIPHOTON PROCESSES; THRESHOLD HARMONICS; LIGHT; ELLIPTICITY; IONIZATION; PULSES; GASES AB The generation of high-order harmonics(1) and attosecond pulses(2) at ultrahigh repetition rates (> 1 MHz) promises to revolutionize ultrafast spectroscopy. Such vacuum ultraviolet (VUV) and soft X-ray sources could potentially be driven directly by plasmonic enhancement of laser pulses from a femtosecond oscillator(3,4), but recent experiments suggest that the VUV signal is actually dominated by incoherent atomic line emission(5,6). Here, we demonstrate a new regime of phase-matched below-threshold harmonic generation, for which the generation and phase matching is enabled only near resonance structures of the atomic target. The coherent VUV line emission exhibits low divergence and quadratic growth with increasing target density up to nearly 1,000 torr mm and can be controlled by the sub-cycle field of a few-cycle driving laser with an intensity of only similar to 1x10(13) Wcm(-2), which is achievable directly from few-cycle femtosecond oscillators with nanojoule energy(7). C1 [Chini, Michael; Wang, Xiaowei; Cheng, Yan; Wu, Yi; Cunningham, Eric; Chang, Zenghu] Univ Cent Florida, CREOL, Inst Frontier Attosecond Sci & Technol, Orlando, FL 32816 USA. [Chini, Michael; Wang, Xiaowei; Cheng, Yan; Wu, Yi; Cunningham, Eric; Chang, Zenghu] Univ Cent Florida, Dept Phys, Orlando, FL 32816 USA. [Wang, Xiaowei] Natl Univ Def Technol, Dept Phys, Changsha 41000, Hunan, Peoples R China. [Wang, He] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Li, Peng-Cheng; Heslar, John; Chu, Shih-I] Natl Taiwan Univ, Ctr Quantum Sci & Engn, Taipei 10617, Taiwan. [Li, Peng-Cheng; Heslar, John; Chu, Shih-I] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan. [Li, Peng-Cheng] Northwest Normal Univ, Coll Phys & Elect Engn, Lanzhou 199034, Gansu, Peoples R China. [Telnov, Dmitry A.] St Petersburg State Univ, Dept Phys, St Petersburg 199034, Russia. [Chu, Shih-I] Univ Kansas, Dept Chem, Lawrence, KS 66045 USA. RP Chini, M (reprint author), Univ Cent Florida, CREOL, Inst Frontier Attosecond Sci & Technol, Orlando, FL 32816 USA. EM zenghu.chang@ucf.edu RI Wu, Ying/B-7283-2009; Telnov, Dmitry/G-8959-2013; OI Telnov, Dmitry/0000-0002-2509-2904; Cunningham, Eric/0000-0002-0976-4416 FU Defense Advanced Research Projects Agency (DARPA) program in ultrafast laser science and engineering (PULSE) programme through a grant from Aviation and Missile Research, Development, and Engineering Center (AMRDEC); US Army Research Office [W911 NF-12-1-0456]; National Science Foundation [106860]; US Department of Energy; National Science Council of Taiwan; National Taiwan University [103R104021, 103R8700-2] FX This work was funded by the Defense Advanced Research Projects Agency (DARPA) program in ultrafast laser science and engineering (PULSE) programme through a grant from Aviation and Missile Research, Development, and Engineering Center (AMRDEC), by the US Army Research Office (grant no. W911 NF-12-1-0456), and by the National Science Foundation (grant no. 106860). D. A. T. and S.-I.C. were partially supported by the US Department of Energy. P.-C. L., J.H. and S.-I.C. would also like to acknowledge the partial support of the National Science Council of Taiwan and National Taiwan University (grants nos 103R104021 and 103R8700-2). NR 30 TC 37 Z9 37 U1 5 U2 44 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 JUN PY 2014 VL 8 IS 6 BP 437 EP 441 DI 10.1038/nphoton.2014.83 PG 5 WC Optics; Physics, Applied SC Optics; Physics GA AI6HF UT WOS:000336972000008 ER PT J AU Burghoff, D Kao, TY Han, NR Chan, CWI Cai, XW Yang, Y Hayton, DJ Gao, JR Reno, JL Hu, Q AF Burghoff, David Kao, Tsung-Yu Han, Ningren Chan, Chun Wang Ivan Cai, Xiaowei Yang, Yang Hayton, Darren J. Gao, Jian-Rong Reno, John L. Hu, Qing TI Terahertz laser frequency combs SO NATURE PHOTONICS LA English DT Article ID QUANTUM-CASCADE LASERS; PHASE-LOCKING; SPECTROSCOPY AB Terahertz light can be used to identify numerous complex molecules, but has traditionally remained unexploited due to the lack of powerful broadband sources. Pulsed lasers can be used to generate broadband radiation, but such sources are bulky and produce only microwatts of average power. Conversely, although terahertz quantum cascade lasers are compact semiconductor sources of high-power terahertz radiation, their narrowband emission makes them unsuitable for complex spectroscopy. In this work, we demonstrate frequency combs based on terahertz quantum cascade lasers, which combine the high power of lasers with the broadband capabilities of pulsed sources. By fully exploiting the quantum-mechanically broadened gain spectrum available to these lasers, we can generate 5 mW of terahertz power spread across 70 laser lines. This radiation is sufficiently powerful to be detected by Schottky-diode mixers, and will lead to compact terahertz spectrometers. C1 [Burghoff, David; Kao, Tsung-Yu; Han, Ningren; Chan, Chun Wang Ivan; Cai, Xiaowei; Yang, Yang; Hu, Qing] MIT, Elect Res Lab, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. [Hayton, Darren J.; Gao, Jian-Rong] Univ Groningen, SRON Netherlands Inst Space Res, NL-9747 AD Groningen, Netherlands. [Gao, Jian-Rong] Delft Univ Technol, Kavli Inst NanoSci, NL-2628 CJ Delft, Netherlands. [Reno, John L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87123 USA. RP Burghoff, D (reprint author), MIT, Elect Res Lab, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. EM burghoff@mit.edu FU NASA; NSF; NWO; NATO SFP; RadioNet; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The work at MIT was supported by NASA and the NSF. The work in the Netherlands was supported by NWO, NATO SFP and RadioNet. This work was performed, in part, at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-programme 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 (contract no. DE-AC04-94AL85000). The authors thank D. Levonian for his help in setting up the FTIR. NR 40 TC 76 Z9 77 U1 3 U2 71 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 JUN PY 2014 VL 8 IS 6 BP 462 EP 467 DI 10.1038/nphoton.2014.85 PG 6 WC Optics; Physics, Applied SC Optics; Physics GA AI6HF UT WOS:000336972000012 ER PT J AU Joe, YI Chen, XM Ghaemi, P Finkelstein, KD de la Pena, GA Gan, Y Lee, JCT Yuan, S Geck, J MacDougall, GJ Chiang, TC Cooper, SL Fradkin, E Abbamonte, P AF Joe, Y. I. Chen, X. M. Ghaemi, P. Finkelstein, K. D. de la Pena, G. A. Gan, Y. Lee, J. C. T. Yuan, S. Geck, J. MacDougall, G. J. Chiang, T. C. Cooper, S. L. Fradkin, E. Abbamonte, P. TI Emergence of charge density wave domain walls above the superconducting dome in 1T-TiSe2 SO NATURE PHYSICS LA English DT Article ID SUPERLATTICE FORMATION; X-RAY; TEMPERATURE; SCATTERING; 2H-TASE2; TISE2 AB Superconductivity in so-called unconventional superconductors is nearly always found in the vicinity of another ordered state, such as antiferromagnetism, charge density wave (CDW), or stripe order. This suggests a fundamental connection between superconductivity and fluctuations in some other order parameter. To better understand this connection, we used high-pressure X-ray scattering to directly study the CDW order in the layered dichalcogenide TiSe2, which was previously shown to exhibit superconductivity when the CDW is suppressed by pressure(1) or intercalation of Cu atoms(2). We succeeded in suppressing the CDW fully to zero temperature, establishing for the first time the existence of aquantum critical point (QCP) at P-c = 5.1 +/- 0.2 GPa, which is more than 1 GPa beyond the end of the superconducting region. Unexpectedly, at P = 3 GPa we observed a reentrant, weakly first order, incommensurate phase, indicating the presence of a Lifshitz tricritical point somewhere above the superconducting dome. Our study suggests that superconductivity in TiSe2 may not be connected to the QCP itself, but to the formation of CDW domain walls. C1 [Joe, Y. I.; Chen, X. M.; Ghaemi, P.; de la Pena, G. A.; Gan, Y.; Lee, J. C. T.; Yuan, S.; MacDougall, G. J.; Chiang, T. C.; Cooper, S. L.; Fradkin, E.; Abbamonte, P.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Joe, Y. I.; Chen, X. M.; Ghaemi, P.; de la Pena, G. A.; Gan, Y.; Lee, J. C. T.; Yuan, S.; MacDougall, G. J.; Chiang, T. C.; Cooper, S. L.; Fradkin, E.; Abbamonte, P.] Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. [Finkelstein, K. D.] Cornell Univ, Cornell High Energy Synchrotron Source, Ithaca, NY 14853 USA. [Geck, J.] Leibniz Inst Solid State & Mat Res, D-01171 Dresden, Germany. [Abbamonte, P.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Abbamonte, P (reprint author), Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. EM abbamonte@mrl.illinois.edu OI MacDougall, Gregory/0000-0002-7490-9650; Fradkin, Eduardo/0000-0001-6837-463X FU US Department of Energy [DE-FG02-06ER46285]; DOE [DE-FG02-07ER46453, DE-FG02-07ER46383]; National Science Foundation; National Institutes of Health/National Institute of General Medical Sciences under NSF [DMR-0936384] FX We gratefully acknowledge discussions with P. B. Littlewood, M. R. Norman, R. Osborn and W-C. Lee. High-pressure X-ray experiments were supported by the US Department of Energy under grant No. DE-FG02-06ER46285. Crystal growth was supported by DOE grant No. DE-FG02-07ER46453. Use of the CHESS was supported by the National Science Foundation and the National Institutes of Health/National Institute of General Medical Sciences under NSF award DMR-0936384. T.C.C. was supported by DOE grant No. DE-FG02-07ER46383. NR 28 TC 34 Z9 34 U1 19 U2 178 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 EI 1745-2481 J9 NAT PHYS JI Nat. Phys. PD JUN PY 2014 VL 10 IS 6 BP 421 EP 425 DI 10.1038/NPHYS2935 PG 5 WC Physics, Multidisciplinary SC Physics GA AI6GG UT WOS:000336969500017 ER PT J AU Brun, C Cren, T Cherkez, V Debontridder, F Pons, S Fokin, D Tringides, MC Bozhko, S Ioffe, LB Altshuler, BL Roditchev, D AF Brun, C. Cren, T. Cherkez, V. Debontridder, F. Pons, S. Fokin, D. Tringides, M. C. Bozhko, S. Ioffe, L. B. Altshuler, B. L. Roditchev, D. TI Remarkable effects of disorder on superconductivity of single atomic layers of lead on silicon SO NATURE PHYSICS LA English DT Article ID DENSITY-OF-STATES; 2-DIMENSIONAL LIMIT; PB; SI(111); METAL; LOCALIZATION; TRANSITIONS; SURFACES; PHASES; FILMS AB In bulk materials, superconductivity is remarkably robust with respect to non-magnetic disorder. In the two-dimensional limit, however, disorder and electron correlations both tend to destroy the quantum condensate. Here we study, both experimentally and theoretically, the effect of structural disorder on the local spectral response of crystalline superconducting monolayers of lead on silicon. In a direct scanning tunnelling microscopy measurement, we reveal how the local superconducting spectra lose their conventional character and show variations at scales significantly shorter than the coherence length. We demonstrate that the precise atomic organization determines the robustness of the superconducting order with respect to structural defects, such as single atomic steps, which may disrupt superconductivity and act as native Josephson barriers. We expect that our results will improve the understanding of microscopic processes in surface and interface superconductivity, and will open a new way of engineering atomic-scale superconducting quantum devices. C1 [Brun, C.; Cren, T.; Cherkez, V.; Debontridder, F.; Pons, S.; Fokin, D.; Ioffe, L. B.; Roditchev, D.] UPMC Univ Paris 06, UMR 7588, Inst Nanosci Paris, Sorbonne Univ, F-75005 Paris, France. [Brun, C.; Cren, T.; Cherkez, V.; Debontridder, F.; Pons, S.; Fokin, D.] CNRS, Inst Nanosci Paris, UMR 7588, F-75005 Paris, France. [Fokin, D.] RAS, Joint Inst High Temp, Moscow 125412, Russia. [Tringides, M. C.] US DOE, Ames Lab, Ames, IA 50011 USA. [Tringides, M. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Bozhko, S.] RAS, Inst Solid State Phys, Chernogolovka 142432, Russia. [Ioffe, L. B.] CNRS, LPTHE, UMR 7589, F-75005 Paris, France. [Ioffe, L. B.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Altshuler, B. L.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Roditchev, D.] ParisTech UPMC, LPEM CNRS ESPCI UMR8213, F-75005 Paris, France. RP Cren, T (reprint author), UPMC Univ Paris 06, UMR 7588, Inst Nanosci Paris, Sorbonne Univ, F-75005 Paris, France. EM cren@insp.jussieu.fr RI Cerchez, Vladimir/P-1513-2015; OI Pons, Stephane /0000-0002-2519-5970 FU University Pierre et Marie Curie UPMC 'Emergence' project; French ANR Project 'Electro Vortex'; ANR-QuDec; Templeton Foundation [40381]; ARO [W911NF-13-1-0431]; CNRS PICS funds; US-DOE [DE-AC02-07CH11358] FX Critical reading of our manuscript by G. Deutscher and N. Trivedi is gratefully acknowledged. This work was supported by University Pierre et Marie Curie UPMC 'Emergence' project, French ANR Project 'Electro Vortex', ANR-QuDec and Templeton Foundation (40381), ARO (W911NF-13-1-0431) and CNRS PICS funds. Partial funding by US-DOE grant DE-AC02-07CH11358 is also acknowledged. The participation of G. Menard and R. Federicci in some of the measurements is acknowledged. NR 48 TC 27 Z9 27 U1 15 U2 111 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 EI 1745-2481 J9 NAT PHYS JI Nat. Phys. PD JUN PY 2014 VL 10 IS 6 BP 444 EP 450 DI 10.1038/NPHYS2937 PG 7 WC Physics, Multidisciplinary SC Physics GA AI6GG UT WOS:000336969500021 ER PT J AU Nunez, JK Kranzusch, PJ Noeske, J Wright, AV Davies, CW Doudna, JA AF Nunez, James K. Kranzusch, Philip J. Noeske, Jonas Wright, Addison V. Davies, Christopher W. Doudna, Jennifer A. TI Cas1-Cas2 complex formation mediates spacer acquisition during CRISPR-Cas adaptive immunity SO NATURE STRUCTURAL & MOLECULAR BIOLOGY LA English DT Article ID SHORT PALINDROMIC REPEATS; ESCHERICHIA-COLI; ANTIVIRUS IMMUNITY; BACTERIAL IMMUNITY; STRUCTURAL BASIS; SYSTEM; RNA; DNA; PROKARYOTES; DEFENSE AB The initial stage of CRISPR-Cas immunity involves the integration of foreign DNA spacer segments into the host genomic CRISPR locus. The nucleases Cas1 and Cas2 are the only proteins conserved among all CRISPR-Cas systems, yet the molecular functions of these proteins during immunity are unknown. Here we show that Cas1 and Cas2 from Escherichia coli form a stable complex that is essential for spacer acquisition and determine the 2.3-angstrom-resolution crystal structure of the Cas1-Cas2 complex. Mutations that perturb Cas1-Cas2 complex formation disrupt CRISPR DNA recognition and spacer acquisition in vivo. Active site mutants of Cas2, unlike those of Cas1, can still acquire new spacers, thus indicating a nonenzymatic role of Cas2 during immunity. These results reveal the universal roles of Cas1 and Cas2 and suggest a mechanism by which Cas1-Cas2 complexes specify sites of CRISPR spacer integration. C1 [Nunez, James K.; Kranzusch, Philip J.; Noeske, Jonas; Wright, Addison V.; Davies, Christopher W.; Doudna, Jennifer A.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Kranzusch, Philip J.; Doudna, Jennifer A.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Doudna, Jennifer A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Doudna, Jennifer A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Doudna, JA (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM doudna@berkeley.edu FU US National Science Foundation [1244557]; US National Science Foundation Graduate Research Fellowships; University of California, Berkeley Chancellor's Fellowship; Howard Hughes Medical Institute Fellow of the Life Sciences Research Foundation; Long-Term Postdoctoral Fellowship; Human Frontier Science Program Organization; Investigator of the Howard Hughes Medical Institute FX We are grateful for the input on this work provided by members of the Doudna laboratory. We thank S. Floor, A.S. Lee, H.Y. Lee, R. Wilson, R. Wu and K. Zhou for technical assistance, the 8.3.1 beamline staff at the Advanced Light Source and A. lavarone (University of California, Berkeley) for MS. We thank D. King (Howard Hughes Medical Institute, University of California, Berkeley) for Flag and HA peptides. This project was funded by a US National Science Foundation grant to J.A.D. (no. 1244557). J.K.N. and A.V.W. are supported by US National Science Foundation Graduate Research Fellowships and J.K.N. by a University of California, Berkeley Chancellor's Fellowship. P.J.K. is supported as a Howard Hughes Medical Institute Fellow of the Life Sciences Research Foundation. J.N. is supported by a Long-Term Postdoctoral Fellowship from the Human Frontier Science Program Organization. J.A.D. is supported as an Investigator of the Howard Hughes Medical Institute. NR 33 TC 82 Z9 88 U1 13 U2 59 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1545-9993 EI 1545-9985 J9 NAT STRUCT MOL BIOL JI Nat. Struct. Mol. Biol. PD JUN PY 2014 VL 21 IS 6 BP 528 EP 534 DI 10.1038/nsmb.2820 PG 7 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA AI6TS UT WOS:000337010500007 PM 24793649 ER PT J AU Ciaccio, G Schmitz, O Abdullaev, SS Frerichs, H Agostini, M Scarin, P Spizzo, G Vianello, N White, RB AF Ciaccio, G. Schmitz, O. Abdullaev, S. S. Frerichs, H. Agostini, M. Scarin, P. Spizzo, G. Vianello, N. White, R. B. TI Plasma edge transport with magnetic islands-a comparison between tokamak and reversed-field pinch SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 6th Workshop on Stochasticity in Fusion Plasmas / 531st Wilhelm and Else Hereaus Seminar on 3D versus 2D in Hot Plasmas CY MAR 18-21, 2013 CL Juelich, GERMANY DE resonant magnetic perturbation; radial electric field; transport; edge; reversed-field pinch ID DYNAMIC ERGODIC DIVERTOR; PERTURBATIONS; TEXTOR AB In the reversed-field pinch (RFP) edge, measured transport and flows are strongly influenced by magnetic islands (Vianello 2013 Nucl. Fusion 53 073025). In fact, these islands determine a differential radial diffusion of electrons and ions which, interacting with the wall, give rise to a characteristic edge ambipolar potential. Such island structures also arise in tokamak plasmas, when resonant magnetic perturbations (RMPs) are applied for control of edge-localized modes. They impose a characteristic modulation to edge electron density and temperature fields, in close correlation with the local magnetic vacuum topology (Schmitz 2012 Nucl. Fusion 52 054001). In order to develop a generic picture of particle transport with magnetic islands located in the plasma edge between RFPs and tokamaks with RMP, test-particle transport simulations are done on TEXTOR with the same tool used in RFX-mod, namely, the guiding-centre code ORBIT (White and Chance 1984 Phys. Fluids 27 2455-67). A typical TEXTOR discharge in the (m, n) = (12, 4) configuration is reconstructed and analysed with ORBIT. We use Poincare and connection length analysis of electrons and ion orbits to analyse the magnetic structure taking into account the different gyro-orbits of both constituents. Density distributions of test ions and electrons are calculated and used to obtain an initial estimate of the plasma potential and radial electric field around the island. C1 [Ciaccio, G.] Univ Padua, Dipartimento Fis, Padua, Italy. [Schmitz, O.; Abdullaev, S. S.; Frerichs, H.] Assoc EURATOM FZJ, Inst Energieforsch Plasmaphys, Julich, Germany. [Agostini, M.; Vianello, N.] Consorzio RFX, I-35127 Padua, Italy. [Scarin, P.] Euratom ENEA Assoc, Consorzio RFX, I-35127 Padua, Italy. [Spizzo, G.] Ist Gas Ionizzati CNR, Consorzio RFX, I-35127 Padua, Italy. [White, R. B.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Ciaccio, G (reprint author), Univ Padua, Dipartimento Fis, Padua, Italy. EM giovanni.ciaccio@igi.cnr.it RI Spizzo, Gianluca/B-7075-2009; Vianello, Nicola/B-6323-2008; White, Roscoe/D-1773-2013; OI Spizzo, Gianluca/0000-0001-8586-2168; Vianello, Nicola/0000-0003-4401-5346; White, Roscoe/0000-0002-4239-2685; AGOSTINI, MATTEO/0000-0002-3823-1002 FU Euratom Communities FX This work was supported by the Euratom Communities under the contract of Association between EURATOM/ENEA. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 47 TC 4 Z9 4 U1 2 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 JUN PY 2014 VL 54 IS 6 AR 064008 DI 10.1088/0029-5515/54/6/064008 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AI5GJ UT WOS:000336893100009 ER PT J AU del-Castillo-Negrete, D Blazevski, D AF del-Castillo-Negrete, Diego Blazevski, Daniel TI Heat pulse propagation in chaotic three-dimensional magnetic fields SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 6th Workshop on Stochasticity in Fusion Plasmas / 531st Wilhelm and Else Hereaus Seminar on 3D versus 2D in Hot Plasmas CY MAR 18-21, 2013 CL Juelich, GERMANY DE transport; chaotic magnetic fields; reversed shear configurations; Cantori; magnetic field connection length ID TRANSPORT; SYSTEMS; LINES; SHEAR; FLOW AB Heat pulse propagation in three-dimensional chaotic magnetic fields is studied by solving numerically the parallel heat transport equation using a Lagrangian Green's function (LG) method. The LG method provides an efficient and accurate technique that circumvents known limitations of finite elements and finite difference methods. The main two problems addressed are (i) the dependence of the radial transport of heat pulses on the level of magnetic field stochasticity (controlled by the amplitude of the magnetic field perturbation, epsilon), and (ii) the role of reversed shear magnetic field configurations on heat pulse propagation. In all the cases considered there are no magnetic flux surfaces. However, the radial transport of heat pulses is observed to depend strongly on epsilon due to the presence of high-order magnetic islands and Cantori. These structures act as quasi-transport barriers which can actually preclude the radial penetration of heat pulses within physically relevant time scales. The dependence of the magnetic field connection length, l(B), on epsilon is studied in detail. Regions where l(B) is large, correlate with regions where the radial propagation of the heat pulse slows down or stops. The decay rate of the temperature maximum, < T >(max)(t), the time delay of the temperature response as function of the radius, tau, and the radial heat flux < q . (e) over cap psi >, are also studied as functions of the magnetic field stochasticity and l(B). In all cases it is observed that the scaling of < T >(max) with t transitions from sub-diffusive, < T >(max) similar to t(-1/4), at short times (chi(parallel to) t < 10(5)) to a significantly slower, almost flat scaling at longer times (chi(parallel to) t > 10(5)). A strong dependence on epsilon is also observed on tau and < q . (e) over cap psi >. Even in the case when there are no flux surfaces nor magnetic field islands, reversed shear magnetic field configurations exhibit unique transport properties. The radial propagation of heat pulses in fully chaotic fields considerably slows down in the shear reversal region and, as a result, the delay time of the temperature response in reversed shear configurations is about an order of magnitude longer than the one observed in monotonic q-profiles. The role of separatrix reconnection of resonant modes in the shear reversal region, and the role of shearless Cantori in the observed phenomena are also discussed. C1 [del-Castillo-Negrete, Diego] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Blazevski, Daniel] ETH, Inst Mech Syst, CH-8092 Zurich, Switzerland. RP del-Castillo-Negrete, D (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. OI del-Castillo-Negrete, Diego/0000-0001-7183-801X FU Office of Fusion Energy Sciences of the US Department of Energy at Oak Ridge National Laboratory; US Department of Energy [DE-AC05-00OR22725] FX This work was sponsored by the Office of Fusion Energy Sciences of the US Department of Energy at Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy under contract DE-AC05-00OR22725. NR 20 TC 2 Z9 2 U1 1 U2 3 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 JUN PY 2014 VL 54 IS 6 AR 064009 DI 10.1088/0029-5515/54/6/064009 PG 16 WC Physics, Fluids & Plasmas SC Physics GA AI5GJ UT WOS:000336893100010 ER PT J AU Rack, M Zeng, L Denner, P Liang, Y Wingen, A Gan, KF Wang, L Liu, FK Shen, B Wan, BN Li, JG AF Rack, M. Zeng, L. Denner, P. Liang, Y. Wingen, A. Gan, K. F. Wang, L. Liu, F. K. Shen, B. Wan, B. N. Li, J. G. CA EAST Team TI Modelling of LHW-induced helical current filaments on EAST: study of an alternative method of applying RMPs SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 6th Workshop on Stochasticity in Fusion Plasmas / 531st Wilhelm and Else Hereaus Seminar on 3D versus 2D in Hot Plasmas CY MAR 18-21, 2013 CL Juelich, GERMANY DE resonant magnetic perturbations; lower hybrid waves; magnetic topology ID DIVERTOR; TOKAMAK; DRIVEN; PLASMA AB The lower hybrid wave (LHW) heating experiments at the Experimental Advanced Superconducting Tokamak (EAST) show a wide range of similarities to effects known from applied resonant magnetic perturbations (RMPs) by in-vessel or external magnetic perturbation coils. These observations suggest a current flow understood to be along scrape-off layer (SOL) field lines; here called helical current filaments (HCFs). For a better understanding of the experimental observations, a model to incorporate the magnetic perturbation of HCFs in the magnetic topology has been developed. Modelled SOL field lines, starting in front of the LHW antenna, show agreement in position and pitch-angle with the experimentally observed radiation belts. The comparison of the pick-up coil signals and the modelled HCFs' perturbation allows for determination of the current strength depending on the filaments' distance from the plasma edge. Agreement of predicted footprint structures with experimentally observed heat load and particle flux profiles at different toroidal angles in the divertor region is found. Based on the modelling results, the idea of LHW-induced RMPs, originating from the experimental observations, is strongly supported. C1 [Rack, M.; Zeng, L.; Denner, P.; Liang, Y.] Forschungszentrum Julich, EURATOM Assoc, Inst Energie & Klimaforsch Plasmaphys, D-52425 Julich, Germany. [Zeng, L.; Gan, K. F.; Wang, L.; Liu, F. K.; Shen, B.; Wan, B. N.; Li, J. G.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. [Wingen, A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Rack, M (reprint author), Forschungszentrum Julich, EURATOM Assoc, Inst Energie & Klimaforsch Plasmaphys, D-52425 Julich, Germany. EM m.rack@fz-juelich.de OI Wingen, Andreas/0000-0001-8855-1349 FU Helmholtz Association within the framework of the Helmholtz-University Young Investigators Group [VH-NG-410]; National Magnetic Confinement Fusion Scienece Program of China [2013GB106003] FX Many thanks to H. Frerichs for valuable discussions. M. R. thanks Evgenij Bleile and Gotz Lehmann for the long lasting support. The financial support from the Helmholtz Association within the framework of the Helmholtz-University Young Investigators Group VH-NG-410 and the National Magnetic Confinement Fusion Scienece Program of China under Contract No 2013GB106003 is gratefully acknowledged. NR 26 TC 4 Z9 4 U1 3 U2 17 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 JUN PY 2014 VL 54 IS 6 AR 064016 DI 10.1088/0029-5515/54/6/064016 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AI5GJ UT WOS:000336893100017 ER PT J AU Rack, M Sieglin, B Pearson, J Eich, T Liang, Y Denner, P Wingen, A Zeng, L Balboa, I Jachmich, S AF Rack, M. Sieglin, B. Pearson, J. Eich, T. Liang, Y. Denner, P. Wingen, A. Zeng, L. Balboa, I. Jachmich, S. CA JET-EFDA Contributors TI Modified heat load deposition of the ELM crash due to n=2 perturbation fields at JET SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 6th Workshop on Stochasticity in Fusion Plasmas / 531st Wilhelm and Else Hereaus Seminar on 3D versus 2D in Hot Plasmas CY MAR 18-21, 2013 CL Juelich, GERMANY DE JET; edge localized modes; divertor heat load deposition; resonant magnetic perturbations; thermoelectric current model ID PLASMA-FACING COMPONENTS; EDGE-LOCALIZED MODES; TOKAMAKS; ITER AB Significant changes in the edge localized mode (ELM) crash heat load deposition patterns compared to typical ELMs are seen via infra-red observations during resonant magnetic perturbation experiments at the Joint European Torus (JET). These modifications result from the changed magnetic topology of the plasma, caused by the perturbations. Dependences on the perturbation strength and the edge safety factor are analysed and discussed. A thermoelectric current model shows that current filaments in the plasma edge could explain the observations. This study gives an insight into how the changed magnetic topology affects the peak heat fluxes of ELMs which is crucial for understanding ELM control. C1 Culham Sci Ctr, JET EFDA, Abingdon OX14 3DB, Oxon, England. [Rack, M.; Pearson, J.; Liang, Y.; Denner, P.; Zeng, L.] Forschungszentrum Julich, Inst Energie & Klimaforsch Plasmaphys, EURATOM Assoc, D-52425 Julich, Germany. [Sieglin, B.; Eich, T.] Max Planck Inst Plasma Phys, EURATOM Assoc, D-85748 Garching, Germany. [Wingen, A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Zeng, L.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. [Balboa, I.] EURATOM CCFE Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Jachmich, S.] Assoc Euratom Belgian State, Koninklijke Mil Sch, Lab Phys Plasmas, Lab Plasmafys,Ecole Royale Mil,Trilateral Euregio, B-1000 Brussels, Belgium. RP Rack, M (reprint author), Forschungszentrum Julich, Inst Energie & Klimaforsch Plasmaphys, EURATOM Assoc, D-52425 Julich, Germany. EM m.rack@fz-juelich.de OI Wingen, Andreas/0000-0001-8855-1349 FU European Communities; Helmholtz Association in frame of the Helmholtz-University Young Investigators Group [VH-NG-410] FX M.R. thanks Evgenij Bleile and Gotz Lehmann for the long lasting support. This work, supported by the European Communities under the contract of Association between EURATOM and FZJ, was carried out within the framework of the European Fusion Development Agreement. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Additional support from the Helmholtz Association in frame of the Helmholtz-University Young Investigators Group VH-NG-410 is gratefully acknowledged. NR 28 TC 1 Z9 1 U1 1 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2014 VL 54 IS 6 AR 064012 DI 10.1088/0029-5515/54/6/064012 PG 7 WC Physics, Fluids & Plasmas SC Physics GA AI5GJ UT WOS:000336893100013 ER PT J AU Wingen, A Ferraro, NM Shafer, MW Unterberg, EA Evans, TE Hillis, DL Snyder, PB AF Wingen, A. Ferraro, N. M. Shafer, M. W. Unterberg, E. A. Evans, T. E. Hillis, D. L. Snyder, P. B. TI Impact of plasma response on plasma displacements in DIII-D during application of external 3D perturbations SO NUCLEAR FUSION LA English DT Article; Proceedings Paper CT 6th Workshop on Stochasticity in Fusion Plasmas / 531st Wilhelm and Else Hereaus Seminar on 3D versus 2D in Hot Plasmas CY MAR 18-21, 2013 CL Juelich, GERMANY DE tokamak; plasma response; synthetic diagnostic; soft x-ray; DIII-D; M3D-C1 ID MODES AB The effects of applied 3D resonant magnetic perturbations are modelled with and without self-consistent plasma response. The plasma response is calculated using a linear two-fluid model. A synthetic diagnostic is used to simulate soft x-ray (SXR) emission within the steep gradient region of the pedestal, 0.98 > psi > 0.94. Two methods for simulating the SXR emission given the perturbed fields are considered. In the first method, the emission is assumed to be constant on magnetic field lines, with the emission on each line determined by the penetration depth into the plasma. In the second method, the emission is taken to be a function of the perturbed electron temperature and density calculated by the two-fluid model. It is shown that the latter method is more accurate within the plasma, but is inadequate in the scrape-off layer due to the breakdown of the linearized temperature equation in the two-fluid model. The resulting synthetic emission is compared to measured SXR data, which show helical m = 11 +/- 1 displacements around the 11/3 rational surface of sizes up to 5 cm, depending on the poloidal angle. The helical displacements around the 11/3 surface are identified to be directly related to the kink response, caused by amplification of non-resonant components of the magnetic field due to plasma response. The role of different plasma parameters is investigated, but it appears that the electron rotation plays a key role in the formation of screening and resonant amplification, while the kinking appears to be sensitive to the edge current density. It is also hypothesized that the plasma response affects the edge-localized-mode (ELM) stability, i.e. the discharge's operational point relative to the peeling-ballooning stability boundary. C1 [Wingen, A.; Shafer, M. W.; Unterberg, E. A.; Hillis, D. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Ferraro, N. M.; Evans, T. E.; Snyder, P. B.] Gen Atom, San Diego, CA 92186 USA. RP Wingen, A (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM wingen@fusion.gat.com RI Unterberg, Ezekial/F-5240-2016; OI Unterberg, Ezekial/0000-0003-1353-8865; Wingen, Andreas/0000-0001-8855-1349; Ferraro, Nathaniel/0000-0002-6348-7827; Shafer, Morgan/0000-0001-9808-6305 FU US Department of Energy [DE-AC05-00OR22725, DE-FC02-04ER54698] FX This work was supported by the US Department of Energy under DE-AC05-00OR22725 and DE-FC02-04ER54698. Discussions with R.J. Buttery, D. M. Orlov, O. Schmitz and Y. Liang are gratefully acknowledged. NR 25 TC 13 Z9 13 U1 3 U2 10 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 JUN PY 2014 VL 54 IS 6 AR 064007 DI 10.1088/0029-5515/54/6/064007 PG 11 WC Physics, Fluids & Plasmas SC Physics GA AI5GJ UT WOS:000336893100008 ER PT J AU Sadi, S Paulenova, A Loveland, W Watson, PR Greene, JP Zhu, S Zinkann, G AF Sadi, S. Paulenova, A. Loveland, W. Watson, P. R. Greene, J. P. Zhu, S. Zinkann, G. TI Surface morphology and phase stability of titanium foils irradiated with 136 MeV Xe-136 SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Microstructure damage; Phase stability; Titanium; X-ray diffraction; SEM/EDS; AFM ID FCC TITANIUM; MULTILAYERS; FILMS AB A stack of titanium foils was irradiated with 136 MeV Xe-136 to study microstructure damage and phase stability of titanium upon irradiation. X-ray diffraction, scanning electron microscopy/energy dispersive spectroscopy and atomic force microscopy were used to study the resulting microstructure damage and phase stability of titanium. We observed the phase transformation of polycrystalline titanium from alpha-Ti (hexagonally closed packed (hcp)) to face centered cubic (fcc) after irradiation with 2.2 x 10(15) ions/cm(2). Irradiation of Ti with 1.8 x 10(14)-2.2 x 10(15) ions/cm(2) resulted in the formation of voids, hillocks, dislocation loops, dislocation lines, as well as polygonal ridge networks. (C) 2014 Elsevier B.V. All rights reserved. C1 [Sadi, S.; Paulenova, A.] Oregon State Univ, Dept Nucl Engn & Radiat Hlth Phys, Corvallis, OR 97331 USA. [Loveland, W.; Watson, P. R.] Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA. [Greene, J. P.; Zhu, S.; Zinkann, G.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Loveland, W (reprint author), Oregon State Univ, Dept Chem, Gilbert Hall 153, Corvallis, OR 97331 USA. EM lovelanw@onid.orst.edu FU Office of High Energy and Nuclear Physics, Nuclear Physics Division, US Department of Energy [DE-FG06-97ER41026]; faculty startup funds (AP) from the Department of Nuclear Engineering and Radiation Health Physics of Oregon State University FX We gratefully acknowledge the help of T. Sawyer in the SEM/EDS measurements. This work was supported (WL) in part by the Office of High Energy and Nuclear Physics, Nuclear Physics Division, US Department of Energy, under Grant No. DE-FG06-97ER41026 and from faculty startup funds (AP) from the Department of Nuclear Engineering and Radiation Health Physics of Oregon State University. NR 12 TC 1 Z9 1 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD JUN 1 PY 2014 VL 328 BP 78 EP 83 DI 10.1016/j.nimb.2014.02.008 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AI6WC UT WOS:000337016700012 ER PT J AU Voronov, DL Gullikson, EM Salmassi, F Warwick, T Padmore, HA AF Voronov, D. L. Gullikson, E. M. Salmassi, F. Warwick, T. Padmore, H. A. TI Enhancement of diffraction efficiency via higher-order operation of a multilayer blazed grating SO OPTICS LETTERS LA English DT Article ID X-RAY-SCATTERING; EXTREME-ULTRAVIOLET AB Imperfections in the multilayer stack deposited on a saw-tooth substrate are the main factor limiting the diffraction efficiency of extreme ultraviolet and soft x-ray multilayer-coated blazed gratings (MBGs). Since the multilayer perturbations occur in the vicinity of antiblazed facets of the substrates, reduction of the groove density of MBGs is expected to enlarge the area of unperturbed multilayer and result in higher diffraction efficiency. At the same time the grating should be optimized for higher-order operation in order to keep high dispersion and spectral resolution. In this work we show the validity of this approach and demonstrate significant enhancement of diffraction efficiency of MBGs using higher-order diffraction. A new record for diffraction efficiency of 52% in the second diffraction order was achieved for an optimized MBG with groove density of 2525 lines/mm at the wavelength of 13.4 nm. (C) 2014 Optical Society of America C1 [Voronov, D. L.; Gullikson, E. M.; Salmassi, F.; Warwick, T.; Padmore, H. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Voronov, DL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM dlvoronov@lbl.gov RI Foundry, Molecular/G-9968-2014 FU US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the US Department of Energy under contract number DE-AC02-05CH11231. NR 12 TC 17 Z9 17 U1 1 U2 25 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 JUN 1 PY 2014 VL 39 IS 11 BP 3157 EP 3160 DI 10.1364/OL.39.003157 PG 4 WC Optics SC Optics GA AI7UX UT WOS:000337107100019 PM 24876001 ER PT J AU Merkley, ED Rysavy, S Kahraman, A Hafen, RP Daggett, V Adkins, JN AF Merkley, Eric D. Rysavy, Steven Kahraman, Abdullah Hafen, Ryan P. Daggett, Valerie Adkins, Joshua N. TI Distance restraints from crosslinking mass spectrometry: Mining a molecular dynamics simulation database to evaluate lysine-lysine distances SO PROTEIN SCIENCE LA English DT Article DE chemical crosslinking; mass spectrometry; molecular dynamics simulations; distance restraints; hybrid modeling; integrative structural biology ID PROTEIN-PROTEIN INTERACTIONS; LINKED PEPTIDES; STRUCTURAL BIOLOGY; NUCLEIC-ACIDS; IDENTIFICATION; DYNAMEOMICS; ARCHITECTURE; QUATERNARY; REAGENTS; NETWORK AB Integrative structural biology attempts to model the structures of protein complexes that are challenging or intractable by classical structural methods (due to size, dynamics, or heterogeneity) by combining computational structural modeling with data from experimental methods. One such experimental method is chemical crosslinking mass spectrometry (XL-MS), in which protein complexes are crosslinked and characterized using liquid chromatography-mass spectrometry to pinpoint specific amino acid residues in close structural proximity. The commonly used lysine-reactive N-hydroxysuccinimide ester reagents disuccinimidylsuberate (DSS) and bis(sulfosuccinimidyl)suberate (BS3) have a linker arm that is 11.4 angstrom long when fully extended, allowing C (alpha carbon of protein backbone) atoms of crosslinked lysine residues to be up to approximate to 24 angstrom apart. However, XL-MS studies on proteins of known structure frequently report crosslinks that exceed this distance. Typically, a tolerance of approximate to 3 angstrom is added to the theoretical maximum to account for this observation, with limited justification for the chosen value. We used the Dynameomics database, a repository of high-quality molecular dynamics simulations of 807 proteins representative of diverse protein folds, to investigate the relationship between lysine-lysine distances in experimental starting structures and in simulation ensembles. We conclude that for DSS/BS3, a distance constraint of 26-30 angstrom between C atoms is appropriate. This analysis provides a theoretical basis for the widespread practice of adding a tolerance to the crosslinker length when comparing XL-MS results to structures or in modeling. We also discuss the comparison of XL-MS results to MD simulations and known structures as a means to test and validate experimental XL-MS methods. C1 [Merkley, Eric D.; Adkins, Joshua N.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Rysavy, Steven; Daggett, Valerie] Univ Washington, Biomed & Hlth Informat Program, Seattle, WA 98195 USA. [Kahraman, Abdullah] Univ Zurich, Inst Mol Life Sci, CH-8057 Zurich, Switzerland. [Hafen, Ryan P.] Pacific NW Natl Lab, Appl Stat & Computat Modeling Grp, Richland, WA 99352 USA. [Daggett, Valerie] Univ Washington, Dept Bioengn, Seattle, WA 98195 USA. RP Merkley, ED (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN K8-98, Richland, WA 99352 USA. EM eric.merkley@pnnl.gov OI Adkins, Joshua/0000-0003-0399-0700; Rysavy, Steven/0000-0003-0211-9593; Merkley, Eric/0000-0002-5486-4723; Kahraman, Abdullah/0000-0003-3523-4467 FU National Institute of General Medical Sciences [GM094623, GM50789]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX Grant sponsor: National Institute of General Medical Sciences; Grant numbers: GM094623 (to JNA) and GM50789 (to VD). Grant sponsor: Office of Science of the U.S. Department of Energy; Grant number: DE-AC02-05CH11231. NR 47 TC 40 Z9 41 U1 4 U2 24 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 EI 1469-896X J9 PROTEIN SCI JI Protein Sci. PD JUN PY 2014 VL 23 IS 6 BP 747 EP 759 DI 10.1002/pro.2458 PG 13 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AI4NW UT WOS:000336843100008 PM 24639379 ER PT J AU Amick, J Schlanger, SE Wachnowsky, C Moseng, MA Emerson, CC Dare, M Luo, WI Ithychanda, SS Nix, JC Cowan, JA Page, RC Misra, S AF Amick, Joseph Schlanger, Simon E. Wachnowsky, Christine Moseng, Mitchell A. Emerson, Corey C. Dare, Michelle Luo, Wen-I Ithychanda, Sujay S. Nix, Jay C. Cowan, J. A. Page, Richard C. Misra, Saurav TI Crystal structure of the nucleotide-binding domain of mortalin, the mitochondrial Hsp70 chaperone SO PROTEIN SCIENCE LA English DT Article DE mitochondria; protein quality control; Heat-shock protein 70; p53; chaperone inhibitor; nucleotide binding ID EXCHANGE FACTOR GRPE; CYTOPLASMIC SEQUESTRATION; PARKINSONS-DISEASE; WILD-TYPE; PROTEIN IMPORT; FAMILY-MEMBER; CANCER-CELLS; P53 FUNCTION; PHASE-I; MKT 077 AB Mortalin, a member of the Hsp70-family of molecular chaperones, functions in a variety of processes including mitochondrial protein import and quality control, Fe-S cluster protein biogenesis, mitochondrial homeostasis, and regulation of p53. Mortalin is implicated in regulation of apoptosis, cell stress response, neurodegeneration, and cancer and is a target of the antitumor compound MKT-077. Like other Hsp70-family members, Mortalin consists of a nucleotide-binding domain (NBD) and a substrate-binding domain. We determined the crystal structure of the NBD of human Mortalin at 2.8 angstrom resolution. Although the Mortalin nucleotide-binding pocket is highly conserved relative to other Hsp70 family members, we find that its nucleotide affinity is weaker than that of Hsc70. A Parkinson's disease-associated mutation is located on the Mortalin-NBD surface and may contribute to Mortalin aggregation. We present structure-based models for how the Mortalin-NBD may interact with the nucleotide exchange factor GrpEL1, with p53, and with MKT-077. Our structure may contribute to the understanding of disease-associated Mortalin mutations and to improved Mortalin-targeting antitumor compounds. C1 [Amick, Joseph; Schlanger, Simon E.; Dare, Michelle; Ithychanda, Sujay S.; Misra, Saurav] Cleveland Clin, Dept Mol Cardiol, Cleveland, OH 44195 USA. [Wachnowsky, Christine; Luo, Wen-I; Cowan, J. A.] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. [Moseng, Mitchell A.; Emerson, Corey C.; Page, Richard C.] Miami Univ, Dept Chem & Biochem, Oxford, OH 45056 USA. [Nix, Jay C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Mol Biol Consortium, Berkeley, CA 94720 USA. RP Misra, S (reprint author), Cleveland Clin, Dept Mol Cardiol, NB50,9500 Euclid Ave, Cleveland, OH 44195 USA. EM pagerc@miamioh.edu; misras@ccf.org RI Ithychanda, Sujay Subbayya/C-7792-2011; OI Ithychanda, Sujay Subbayya/0000-0001-8979-246X; Misra, Saurav/0000-0002-1385-8554; Page, Richard/0000-0002-3006-3171 FU U.S. National Institutes of Health [R01-GM080271]; National Institutes of Health [T32-HL007914]; U.S. Department of Energy, Office of Basic Energy Sciences (The Advanced Light Source) [DE-AC03-76SF00098] FX Grant sponsor: U.S. National Institutes of Health (S. M.); Grant number: R01-GM080271; Grant sponsor: National Institutes of Health (R. C. P.); Grant number: T32-HL007914. Grant sponsor: U.S. Department of Energy, Office of Basic Energy Sciences (The Advanced Light Source); Grant number: DE-AC03-76SF00098. NR 71 TC 7 Z9 7 U1 1 U2 12 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 EI 1469-896X J9 PROTEIN SCI JI Protein Sci. PD JUN PY 2014 VL 23 IS 6 BP 833 EP 842 DI 10.1002/pro.2466 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AI4NW UT WOS:000336843100015 PM 24687350 ER PT J AU Krupa, JS Rizzo, DM Eppstein, MJ Lanute, DB Gaalema, DE Lakkaraju, K Warrender, CE AF Krupa, Joseph S. Rizzo, Donna M. Eppstein, Margaret J. Lanute, D. Brad Gaalema, Diann E. Lakkaraju, Kiran Warrender, Christina E. TI Analysis of a consumer survey on plug-in hybrid electric vehicles SO TRANSPORTATION RESEARCH PART A-POLICY AND PRACTICE LA English DT Article DE Plug-in Hybrid Electric Vehicles (PHEVs); Electric vehicle technology adoption; Crowd-sourced opinion survey ID ALTERNATIVE FUEL VEHICLES; AMAZONS MECHANICAL TURK; MARKET PENETRATION; MODELING APPROACH; CHOICE ANALYSIS; ENERGY-SOURCES; GHG EMISSIONS; DEMAND; UNCERTAINTY; EVOLUTION AB Plug-in Hybrid Electric Vehicles (PHEVs) show potential to reduce greenhouse gas (GHG) emissions, increase fuel efficiency, and offer driving ranges that are not limited by battery capacity. However, these benefits will not be realized if consumers do not adopt this new technology. Several agent-based models have been developed to model potential market penetration of PHEVs, but gaps in the available data limit the usefulness of these models. To address this, we administered a survey to 1000 stated US residents, using Amazon Mechanical Turk, to better understand factors influencing the potential for PHEV market penetration. Our analysis of the survey results reveals quantitative patterns and correlations that extend the existing literature. For example, respondents who felt most strongly about reducing US transportation energy consumption and cutting greenhouse gas emissions had, respectively, 71 and 44 times greater odds of saying they would consider purchasing a compact PHEV than those who felt least strongly about these issues. However, even the most inclined to consider a compact PHEV were not generally willing to pay more than a few thousand US dollars extra for the sticker price. Consistent with prior research, we found that financial and battery-related concerns remain major obstacles to widespread PHEV market penetration. We discuss how our results help to inform agent-based models of PHEV market penetration, governmental policies, and manufacturer pricing and marketing strategies to promote consumer adoption of PHEVs. (C) 2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license. C1 [Krupa, Joseph S.; Rizzo, Donna M.] Univ Vermont, Sch Engn, Burlington, VT 05405 USA. [Eppstein, Margaret J.] Univ Vermont, Dept Comp Sci, Burlington, VT 05405 USA. [Lanute, D. Brad] Univ Vermont, Sch Environm & Nat Resources, Burlington, VT 05405 USA. [Gaalema, Diann E.] Univ Vermont, Dept Psychiat, Burlington, VT 05405 USA. [Lakkaraju, Kiran; Warrender, Christina E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Krupa, JS (reprint author), Univ Vermont, Sch Engn, 301 Votey Hall,33 Colchester Ave, Burlington, VT 05405 USA. EM joseph.krupa@gmail.com FU United States Department of Transportation through the University of Vermont Transportation Research Center; Sandia National Laboratories; U.S. Dept. of Energy through Inter-Entity Work Order [M610000767]; Vermont EPSCoR; National Science Foundation [EPS-0701410, EPS-1101317] FX This work was funded in part by the United States Department of Transportation through the University of Vermont Transportation Research Center, a workforce development sub-award from Sandia National Laboratories supported by the U.S. Dept. of Energy through Inter-Entity Work Order M610000767 and Vermont EPSCoR with funds from the National Science Foundation (Grant EPS-0701410 and EPS-1101317). We also thank Alan Howard at the University of Vermont for his guidance in helping us to identify appropriate statistical methods and in using JMP Pro 10. NR 80 TC 25 Z9 26 U1 6 U2 59 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0965-8564 J9 TRANSPORT RES A-POL JI Transp. Res. Pt. A-Policy Pract. PD JUN PY 2014 VL 64 BP 14 EP 31 DI 10.1016/j.tra.2014.02.019 PG 18 WC Economics; Transportation; Transportation Science & Technology SC Business & Economics; Transportation GA AI5AG UT WOS:000336877200002 ER PT J AU Tan, L Byun, TS Katoh, Y Snead, LL AF Tan, L. Byun, T. S. Katoh, Y. Snead, L. L. TI Stability of MX-type strengthening nanoprecipitates in ferritic steels under thermal aging, stress and ion irradiation SO ACTA MATERIALIA LA English DT Article DE Strength; Irradiation effect; Precipitation; Growth; Dissolution ID ACTIVATION FERRITIC/MARTENSITIC STEELS; CR-W STEELS; PHASE INSTABILITY; LAVES PHASE; PRECIPITATION; EVOLUTION; BEHAVIOR; ENERGY AB The stability of MX-type precipitates is critical to retain mechanical properties of both reduced activation ferritic-martensitic (RAFM) and conventional FM steels at elevated temperatures above similar to 500 degrees C. The stability of TaC, TaN and VN nanoprecipitates under thermal aging (600 and 700 degrees C), creep (600 degrees C) and ion irradiation (Fe ion, 500 degrees C) conditions was systematically studied in this work. The statistical particle evolution in density and size was characterized using transmission electron microscopy. Nanoprecipitate stability under the studied conditions manifested differently through either dissolution, reprecipitation, growth or fragmentation, with TaC exhibiting the greatest stability followed by VN and TaN in sequence. Nanoprecipitate evolution phenomena and mechanisms and the apparent disagreement of this interpretation with published literature on the subject are discussed. These findings not only help understanding the degradation mechanisms of RAFM and conventional FM steels at elevated temperatures and under stress and irradiation, but should also prove beneficial to the development of advanced RAFM steels. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Tan, L.; Byun, T. S.; Katoh, Y.; Snead, L. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Tan, L (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM tanl@ornl.gov RI Tan, Lizhen/A-7886-2009 OI Tan, Lizhen/0000-0002-3418-2450 FU US Department of Energy (DOE), Office of Fusion Energy Sciences [DE-AC05-00OR22725]; UT-Battelle, LLC; ORNL's Center for Nanophase Materials Sciences (CNMS); Scientific User Facilities Division, Office of Basic Energy Sciences, US DOE; US DOE, Office of Nuclear Energy under DOE Idaho Operations Office, ATR National Scientific User Facility experiment [DE-AC07-051D14517] FX Research was sponsored by the US Department of Energy (DOE), Office of Fusion Energy Sciences under contract DE-AC05-00OR22725 with UT-Battelle, LLC, and through a user project supported by ORNL's Center for Nanophase Materials Sciences (CNMS) that is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US DOE. Work was also supported by the US DOE, Office of Nuclear Energy under DOE Idaho Operations Office Contract DE-AC07-051D14517, as part of an ATR National Scientific User Facility experiment. Dr. G.S. Was is appreciated for his advice on the Fe2+ ion irradiation experiment, Drs. F.W. Wiffen and K.G. Field for reviewing the paper and Mr. O. Toader and Mrs. D.W. Coffey for conducting the Fe2+ ion irradiation experiment and preparing the FIB specimens, respectively. NR 23 TC 11 Z9 12 U1 2 U2 33 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN PY 2014 VL 71 BP 11 EP 19 DI 10.1016/j.actamat.2014.03.015 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AI2NM UT WOS:000336695100002 ER PT J AU Vo, NQ Liebscher, CH Rawlings, MJS Asta, M Dunand, DC AF Vo, Nhon Q. Liebscher, Christian H. Rawlings, Michael J. S. Asta, Mark Dunand, David C. TI Creep properties and microstructure of a precipitation-strengthened ferritic Fe-Al-Ni-Cr alloy SO ACTA MATERIALIA LA English DT Article DE Fe-Cr-Ni-Al alloy; Creep; Strengthening; High-temperature ID HIGH-TEMPERATURE STRENGTH; MECHANICAL-PROPERTIES; THRESHOLD STRESS; ELEVATED-TEMPERATURES; DISLOCATION CLIMB; HARD PARTICLES; AL(SC) ALLOYS; SC ALLOYS; BEHAVIOR; AMBIENT AB The ferritic alloy Fe-10Cr-10Ni-5.5Al-3.4Mo-0.25Zr-0.005B (wt.%), strengthened by coherent B2-structured (Ni,Fe)Al precipitates with a volume fraction of 13 vol.% and average precipitate radius of 62 nm, was subjected to creep in the stress range 30-300 MPa and the temperature range 600-700 degrees C. The stress dependence of the steady-state strain rate can be represented by a power law with high apparent stress exponents of 6-13 and high apparent activation energies of 510-680 kJ mol(-1). Threshold stresses at all studied temperatures were observed, ranging from 69 to 156 MPa, from which a true stress exponent of similar to 4 and a true activation energy of 243 +/- 37 kJ mol(-1) were determined, which are equal to those for dislocation creep and lattice diffusion in the ferritic matrix, respectively. Based on these mechanical results and detailed electron microscopy observations, the creep mechanism was rationalized to be general dislocation climb with repulsive elastic interaction between coherent precipitates and the matrix dislocations. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Vo, Nhon Q.; Rawlings, Michael J. S.; Dunand, David C.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Liebscher, Christian H.; Asta, Mark] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Liebscher, Christian H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Asta, Mark] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Vo, NQ (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. EM voquynhon@gmail.com RI Dunand, David/B-7515-2009; Foundry, Molecular/G-9968-2014 OI Dunand, David/0000-0001-5476-7379; FU US Department of Energy (DOE), Office of Fossil Energy [DE-FE0005868]; Office of Science, Office of Basic Energy Sciences of the US Department of Energy [DE-AC02-05CH11231] FX This research was supported financially by the US Department of Energy (DOE), Office of Fossil Energy, under Grant DE-FE0005868 (Dr V. Cedro, monitor). The authors also gratefully acknowledge Prof. P.K. Liaw, Mr. Z. Sun and Mr. G. Song (University of Tennessee) for providing the alloy and performing aging treatments. We also thank these authors and Dr Gautam Ghosh (Northwestern University) for numerous helpful discussions. The microscopy work was performed at NCEM, which is supported by the Office of Science, Office of Basic Energy Sciences of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 48 TC 21 Z9 21 U1 1 U2 47 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN PY 2014 VL 71 BP 89 EP 99 DI 10.1016/j.actamat.2014.02.020 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AI2NM UT WOS:000336695100009 ER PT J AU Shanti, NO Chan, VWL Stock, SR De Carlo, F Thornton, K Faber, KT AF Shanti, Noah O. Chan, Victor W. L. Stock, Stuart R. De Carlo, Francesco Thornton, Katsuyo Faber, Katherine T. TI X-ray micro-computed tomography and tortuosity calculations of percolating pore networks SO ACTA MATERIALIA LA English DT Article DE Tortuosity; Porosity; Transport properties; X-ray computed tomography; Finite difference modeling ID MICROTOMOGRAPHY; DIFFUSION; TRANSPORT; RECONSTRUCTION; CONNECTIVITY; RATES; ANODE; SIZE; FLOW AB Synchrotron source X-ray micro-computed tomography was used for non-destructive three-dimensional (3-D) imaging of porous alumina structures, in which the porosity was induced by a granular porogen, added in amounts of 10-60 vol.%. Microstructural characteristics related to transport properties, including connectivity and tortuosity, were measured from the resulting 3-D data sets. Connectivity of 94.5-99.6% was measured for samples produced with 35-60% porogen (30.8-49.6% porosity). Two methods of calculating tortuosity, path length ratio and gas phase flux were compared, and the effect of sample volume on calculated tortuosity value and computational time was examined. Average sample tortuosity calculated using the two methods generally agreed, although significant directional anisotropy was detected in some cases for the gas phase flux calculation method. Tortuosity values as low as 1.5 were measured for alumina components with 49.6% porosity. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Shanti, Noah O.; Faber, Katherine T.] Northwestern Univ, Robert R McCormick Sch Engn & Appl Sci, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Chan, Victor W. L.; Thornton, Katsuyo] Univ Michigan, Dept Mat Sci & Engn, Coll Engn, Ann Arbor, MI 48109 USA. [Stock, Stuart R.] Northwestern Univ, Feinberg Sch Med, Dept Mol Pharmacol & Biol Chem, Chicago, IL 60611 USA. [De Carlo, Francesco] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Faber, KT (reprint author), Northwestern Univ, Robert R McCormick Sch Engn & Appl Sci, Dept Mat Sci & Engn, Evanston, IL 60208 USA. EM k-faber@northwestern.edu RI Faber, Katherine/B-6741-2009; OI /0000-0002-1227-5293 FU MRSEC program of the National Science Foundation at the Materials Research Center of Northwestern University and National Science Foundation [DMR-1121262, DMR-0746424]; NSF-NSEC; NSF-MRSEC; Keck Foundation; State of Illinois; Northwestern University; US DOE [DE-AC02-06CH11357]; National Science Foundation [OCI-1053575, TG-DMR110007]; University of Michigan Advanced Research Computing FX The authors wish to acknowledge Sarah Miller for assistance in digital image transformations and measurements and Dr. Hsun-Yi Chen for his help with developing the code for the GPF method. This work was supported by the MRSEC program of the National Science Foundation (DMR-1121262) at the Materials Research Center of Northwestern University and National Science Foundation Grant DMR-0746424: "CAREER: Integrated Research and Education Program in Three-Dimensional Materials Science and Visualization". Portions of this work were performed in the EPIC facility of the NUANCE Center at Northwestern University, supported by NSF-NSEC, NSF-MRSEC, Keck Foundation, the State of Illinois, and Northwestern University. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH11357. The computational resources for the GPF calculations were provided by the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation Grant Number OCI-1053575, under Allocation No. TG-DMR110007, as well as the University of Michigan Advanced Research Computing. NR 32 TC 13 Z9 13 U1 5 U2 49 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN PY 2014 VL 71 BP 126 EP 135 DI 10.1016/j.actamat.2014.03.003 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AI2NM UT WOS:000336695100013 ER PT J AU Zhang, Y Xue, DZ Wu, HJ Ding, XD Lookman, T Ren, XB AF Zhang, Yang Xue, Dezhen Wu, Haijun Ding, Xiangdong Lookman, Turab Ren, Xiaobing TI Adaptive ferroelectric state at morphotropic phase boundary: Coexisting tetragonal and rhombohedral phases SO ACTA MATERIALIA LA English DT Article DE Piezoelectrics; Morphotropic phase boundary; TEM; Twin boundary; Adaptive phase ID LEAD-ZIRCONATE-TITANATE; POLARIZATION ROTATION; ELECTROMECHANICAL RESPONSE; PIEZOELECTRIC RESPONSE; SINGLE-CRYSTALS; TRANSFORMATION; STRAIN; RELAXOR; SYSTEMS; ORIGIN AB With a focus on local symmetry, the microstructural basis for high piezoelectric performance in PbMg1/3Nb2/3O3-xPbTiO3 (PMN-PT) ceramics at the morphotropic phase boundary (MPB) composition was investigated by means of convergent-beam electron diffraction analysis and twin diffraction pattern analysis. The local structure was found to consist of coexisting (101)-type tetragonal nanotwins and (001)-type rhombohedral nanotwins. A phenomenological theory based on crystallography is proposed to show that such nanoscale coexistence can give rise to an average monoclinic structure through strain accommodation. The average monoclinic structures (Ma and Mc) vary with temperature and composition due to the dependence on temperature and composition of the lattice parameters. Based on in situ X-ray diffraction data, we demonstrate how the polarization rotates across the MPB region in PMN PT ceramics with varying temperatures and compositions. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Zhang, Yang; Xue, Dezhen; Wu, Haijun; Ding, Xiangdong; Ren, Xiaobing] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Frontier Inst Sci & Technol, Multidisciplinary Mat Res Ctr, Xian 710049, Peoples R China. [Wu, Haijun] South Univ Sci & Technol China, Dept Phys, Shenzhen 518055, Peoples R China. [Lookman, Turab] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Lookman, Turab] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Ren, Xiaobing] Natl Inst Mat Sci, Ferro Phys Grp, Tsukuba, Ibaraki 3050047, Japan. RP Xue, DZ (reprint author), Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Frontier Inst Sci & Technol, Multidisciplinary Mat Res Ctr, Xian 710049, Peoples R China. EM xuedezhen@mail.xjtu.edu.cn; wu.hj@sustc.edu.cn RI XUE, Dezhen/A-6062-2010; Ren, Xiaobing/B-6072-2009; Ding, Xiangdong/K-4971-2013; wu, haijun/B-8598-2016 OI XUE, Dezhen/0000-0001-6132-1236; Ren, Xiaobing/0000-0002-4973-2486; Ding, Xiangdong/0000-0002-1220-3097; wu, haijun/0000-0002-7303-379X FU National Basic Research Program of China [2012CB619401, 2010CB631003]; National Natural Science Foundation of China [51302209, 51201126, 51321003, 51171140, 51231008]; 111 project of China [B06025] FX The authors gratefully acknowledge the support of National Basic Research Program of China (Grant Nos. 2012CB619401 and 2010CB631003), National Natural Science Foundation of China (Grant Nos. 51302209, 51201126, 51321003, 51171140 and 51231008), and 111 project of China (B06025). NR 62 TC 22 Z9 22 U1 12 U2 119 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN PY 2014 VL 71 BP 176 EP 184 DI 10.1016/j.actamat.2014.03.007 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AI2NM UT WOS:000336695100018 ER PT J AU Muntifering, B Pond, RC Kovarik, L Browning, ND Mulliner, P AF Muntifering, B. Pond, R. C. Kovarik, L. Browning, N. D. Muelliner, P. TI Intra-variant substructure in Ni-Mn-Ga martensite: Conjugation boundaries SO ACTA MATERIALIA LA English DT Article DE Ni-Mn-Ga; Martensite interface; HRTEM; Twin boundary; Disconnection ID INTERFACIAL DEFECTS; FERROELECTRIC-FILMS; SINGLE-CRYSTALS; DEFORMATION; NI2MNGA; ALLOYS; TRANSFORMATION; TEMPERATURE; STRAINS; FIELD AB The microstructure of a Ni-Mn-Ga alloy in the martensitic phase was investigated using transmission electron microscopy. Inter-variant twin boundaries were observed separating non-modulated tetragonal martensite variants. In addition, intra-variant boundary structures, referred to here as "conjugation boundaries", were also observed. We propose that conjugation boundaries originate at the transformation interface between austenite and a nascent martensite variant. In the alloy studied, deformation twinning was observed, consistent with being the mode of lattice-invariant deformation, and this can occur on either of two crystallographically equivalent conjugate {1 0 1}< 1 0 (1) Over bar > twinning systems: conjugation boundaries separate regions within a single variant in which the active modes were distinct. The defect structure of conjugation boundaries and the low-angle of misorientation across them are revealed in detail using high-resolution microscopy. We anticipate that the mobility of such boundaries is lower than that of inter-variant boundaries, and is therefore likely to significantly affect the kinetics of deformation in the martensitic phase. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Muntifering, B.; Muelliner, P.] Boise State Univ, Dept Mat Sci & Engn, Boise, ID 83725 USA. [Pond, R. C.] Univ Exeter, Coll Engn Math & Phys Sci, Exeter EX2 7JL, Devon, England. [Kovarik, L.; Browning, N. D.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Muntifering, B (reprint author), Boise State Univ, Dept Mat Sci & Engn, Boise, ID 83725 USA. EM brittanymuntifering@u.boisestate.edu RI Kovarik, Libor/L-7139-2016; OI Browning, Nigel/0000-0003-0491-251X FU National Science Foundation [DMR-1008167]; NSF MRI awards [0521315, 0619795]; Pacific Northwest National Laboratory [DE-ACO5-76RL01830] FX We thank Nikki Kucza and Martika Flores-Ramos for assistance with the growth of single crystals. We acknowledge partial financial support from the National Science Foundation through Grant DMR-1008167, and NSF MRI awards 0521315 (TEM) and 0619795 (XRD). The research described in this paper is part of the Chemical Imaging Initiative at Pacific Northwest National Laboratory under Contract DE-ACO5-76RL01830 operated for the Department of Energy by Battelle. A portion of the research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. NR 33 TC 14 Z9 14 U1 4 U2 58 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN PY 2014 VL 71 BP 255 EP 263 DI 10.1016/j.actamat.2014.03.018 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AI2NM UT WOS:000336695100024 ER PT J AU Ungar, T Ribarik, G Zilahi, G Mulay, R Lienert, U Balogh, L Agnew, S AF Ungar, Tamas Ribarik, Gabor Zilahi, Gyula Mulay, Rupalee Lienert, Ulrich Balogh, Levente Agnew, Sean TI Slip systems and dislocation densities in individual grains of polycrystalline aggregates of plastically deformed CoTi and CoZr alloys SO ACTA MATERIALIA LA English DT Article DE Slip systems; Dislocation densities; B2 intermetallics plasticity; CoTi; CoZr ID X-RAY-DIFFRACTION; COPPER SINGLE-CRYSTALS; LINE-PROFILE ANALYSIS; HEXAGONAL CRYSTALS; CONTRAST FACTORS; ROCKING-CURVE; DEFORMATION; MICROSTRUCTURE; STRAIN; TEMPERATURE AB A novel X-ray diffraction-based technique for grain-by-grain assessment of dislocation density within polycrystals is applied. The technique discriminates dislocation densities of different slip modes, slip systems and dislocation character. Data which was formerly confined to the transmission electron microscope (TEM) is now available from X-ray diffraction (XRD). In addition, there is a profound statistical advantage of the XRD approach over the traditional TEM-based approach. Over 130 grains were analyzed for one sample of CoTi, which would be a Herculean task on the TEM, requiring dozens of samples as well as numerous hours on the microscope and analysis of the images generated for each sample. The present experiments were performed in about 30 h per sample and the analysis is semi-automated, involving a Monte-Carlo-type algorithm to determine the dislocation structure best representing the single crystal diffraction peak profiles in a polycrystalline aggregate. Conclusive confirmation of a previously suggested explanation for the anomalous ductility of two CsCl structured intermetallic compounds, CoTi and CoZr, is provided: namely, that hard dislocation modes, with b = < 1 1 0 > and < 1 1 1 >, rarely observed in single crystal experiments, are active in nearly every grain. The results call into question the value of employing single crystal deformation experiments alone to understand the deformation behavior of polycrystalline materials. Further, the results re-emphasize that the uniform stress assumption implicit in Schmid factor analysis is a poor one for materials which are highly anisotropic at the single crystal level. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Ungar, Tamas] City Univ Hong Kong, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China. [Ungar, Tamas; Ribarik, Gabor; Zilahi, Gyula; Balogh, Levente] Eotvos Lorand Univ, Dept Mat Phys, Budapest, Hungary. [Mulay, Rupalee; Agnew, Sean] Univ Virginia, Charlottesville, VA 22904 USA. [Lienert, Ulrich] Argonne Natl Lab, Argonne, IL 60439 USA. RP Ungar, T (reprint author), Eotvos Lorand Univ, Dept Mat Phys, Budapest, Hungary. EM ungar@ludens.elte.hu RI Balogh, Levente/S-1238-2016 FU U.S. National Science Foundation through a CAREER [DMR-0547981]; U.S. DOE [DE-ACO206CH11357]; OTKA [K-112648]; [KMOP-4.2.1/B-10-2011-0002] FX T.U., G.R. and Gy.Z. are grateful to the Hungarian KMOP-4.2.1/B-10-2011-0002 and OTKA K-112648 projects for partial support of this work. R.P.M. and S.R.A. would like to thank the U.S. National Science Foundation, which sponsored their participation in this research through a CAREER Grant DMR-0547981. 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-ACO206CH11357. NR 48 TC 5 Z9 6 U1 0 U2 32 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN PY 2014 VL 71 BP 264 EP 282 DI 10.1016/j.actamat.2014.03.024 PG 19 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AI2NM UT WOS:000336695100025 ER PT J AU Huang, GY Abdul-Jabbar, NM Wirth, BD AF Huang, Gui-Yang Abdul-Jabbar, N. M. Wirth, B. D. TI Theoretical study of Ga2Se3, Ga2Te3 and Ga-2(Se1-xTex)(3): Band-gap engineering SO ACTA MATERIALIA LA English DT Article DE Structure and band structure; Band-gap engineering; Hybrid DFT calculations; GW method ID 2-DIMENSIONAL VACANCY PLANES; DEFECT ZINCBLENDE STRUCTURE; AUGMENTED-WAVE METHOD; IN2TE3 THIN-FILMS; ELECTRONIC-PROPERTIES; OPTICAL-PROPERTIES; SINGLE-CRYSTALS; SEMICONDUCTOR ALLOYS; X-RAY; ELECTRICAL-PROPERTIES AB The structure and band structure of Ga2Se3, Ga2Te3 and Ga-2(Se1-xTex)(3) have been investigated systematically, providing a good and extensive foundation for further experimental and theoretical investigations. The upper bound of self-consistent (sc) GW band-gap variation due to vacancy ordering variation for Ga2Se3 and Ga2Te3 is 0.33 and 0.21 eV, respectively, whereas the upper bound of band-gap variation based on GGA (PBE) calculations is larger, 0.55 and 0.51 eV, respectively. Hybrid density functional theory calculations have little effect on the band-gap variation upper bound of Ga2Se3, but reduce the band-gap variation upper bound of Ga2Te3 by similar to 0.1 eV (when the default mixing ratio (0.25) is used). Zigzag-line vacancy ordering and straight-line vacancy ordering produce a valence band maximum at the T point and not at the T point, respectively. The conduction band minimum is at Gamma point and not at T point for Ga2Se3 and Ga2Te3, respectively. The calculated scGW band-gaps of mono-Ga2Se3, ortho-Ga2Se3, mono-Ga2Te3 and ortho-Ga2Te3 at 0 K are 2.53, 2.20, 1.54 and 1.33 eV, respectively. The calculated band-gap is noticeably dependent on the level of self-consistency of the GW methods. The band-gap is larger for a higher level of self-consistency of the GW method, from G0W0 to scGW. The calculated band-gap curve of Ga-2(Se1-xTex)(3) is noticeably convex downwards. The deviation between our experimental measured band-gap curve and the calculated band-gap curve based on completely disordered anion distribution and straight-line vacancy ordering is small and relatively large at the Te-rich end, for PBE + correction and HSE06, respectively. In addition, our previous method (Huang et al., 2013) based on the shift of plane layer atoms to generate disordered vacancies is extended in this paper to the shift of the zigzag plane layer of atoms, which is important for explaining the cubic symmetry of vacancy-disordered phases. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Huang, Gui-Yang; Wirth, B. D.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. [Wirth, B. D.] Oak Ridge Natl Lab, Knoxville, TN USA. [Abdul-Jabbar, N. M.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Abdul-Jabbar, N. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Huang, GY (reprint author), Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. EM huangguiyang@gmail.com; bdwirth@utk.edu RI Wirth, Brian/O-4878-2015 OI Wirth, Brian/0000-0002-0395-0285 FU US Department of Energy, Office of Nuclear Energy through the Nuclear Energy University Program; Batelle Energy Alliance, LLC [00091204]; CFDA [81.049]; DHS-NSF Academic Research grant at the University of California, Berkeley FX This research has been funded by the US Department of Energy, Office of Nuclear Energy through the Nuclear Energy University Program, administered by Batelle Energy Alliance, LLC, Subcontract No. 00091204, CFDA# 81.049, and partially as part of the DHS-NSF Academic Research grant at the University of California, Berkeley. NR 103 TC 6 Z9 6 U1 10 U2 58 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD JUN PY 2014 VL 71 BP 349 EP 369 DI 10.1016/j.actamat.2014.03.010 PG 21 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AI2NM UT WOS:000336695100031 ER PT J AU Zhong, L Amonette, JE Mitroshkov, AV Olsen, KB AF Zhong, L. Amonette, J. E. Mitroshkov, A. V. Olsen, K. B. TI Transport of perfluorocarbon tracers and carbon dioxide in sediment columns - Evaluating the application of PFC tracers for CO2 leakage detection SO APPLIED GEOCHEMISTRY LA English DT Article ID SULFUR-HEXAFLUORIDE; VADOSE ZONE; PILOT TEST; SURFACE-AREA; NEW-MEXICO; USA; INJECTION; SITE; SEQUESTRATION; SLEIPNER AB Perfluorocarbon compounds (PFCs) have high chemical and thermal stability, low background levels in natural systems, and easy detectability. They are proposed as tracers for monitoring potential CO2 leakage associated with geological carbon sequestration (GCS). The fate of the PFCs in porous media, and in particular, the transport of these compounds relative to CO2 gas in geological formations, has not been thoroughly studied. We conducted column tests to study the transport of perfluoro-methylcyclo-pentane (PMCP), perfluoro-methylcyclo-hexane (PMCH), ortho-perfluoro-dimethylcyclo-hexane (ortho-PDCH), and perfluoro-trimethylcyclo-hexane (PTCH) gas tracers in a variety of porous media. The influence of water content and sediment minerals on the retardation of the tracers was tested. The transport of PFC tracers relative to (CO2)-C-13 and the conservative tracer sulfur hexafluoride (SF6) was also investigated. Results show that at high water content, the PFCs and SF6 transported together. In dry and low-watercontent sediments, however, the PFCs were retarded relative to SF6 with the degree of retardation increasing with the molecular weight of the PFC. When water was present in the medium, the transport of CO2 was greatly retarded compared to SF6 and the PFC tracers. However, in dry laboratory sediments, the migration of CO2 was slightly faster than all the tracers. The type of minerals in the sediments also had a significant impact on the fate of the tracers. In order to use the PFC tracer data obtained from the ground surface or shallow subsurface in a GCS site to precisely interpret the extent and magnitude of CO2 leakage, the retardation of the tracers and the interaction of CO2 with the reservoir overlying formation water should be carefully quantified. Published by Elsevier Ltd. C1 [Zhong, L.; Amonette, J. E.; Mitroshkov, A. V.; Olsen, K. B.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Zhong, L (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM lirong.zhong@pnnl.gov FU FutureGen Industrial Alliance; U.S. DOE [DE-AC06-76RL0 1830] FX We thank Mark E. Bowden for performing the X-ray diffraction analyses of the sediments, and Colleen K. Russell for conducting the specific surface analyses. Funding of this research was provided by the FutureGen Industrial Alliance. The Pacific Northwest National Laboratory is operated by Battelle for the U.S. DOE under Contract DE-AC06-76RL0 1830. NR 41 TC 4 Z9 4 U1 2 U2 23 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 JUN PY 2014 VL 45 BP 25 EP 32 DI 10.1016/j.apgeochem.2014.02.016 PG 8 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AH8GU UT WOS:000336375800003 ER PT J AU Emerson, HP Xu, C Ho, YF Zhang, S Schwehr, KA Lilley, M Kaplan, DI Santschi, PH Powell, BA AF Emerson, Hilary P. Xu, Chen Ho, Yi-Fang Zhang, S. Schwehr, Kathleen A. Lilley, Michael Kaplan, Daniel I. Santschi, Peter H. Powell, Brian A. TI Geochemical controls of iodine uptake and transport in Savannah River Site subsurface sediments SO APPLIED GEOCHEMISTRY LA English DT Article ID NATURAL ORGANIC-MATTER; MOLECULAR ENVIRONMENT; MASS-SPECTROMETRY; RADIOIODINE I-129; CHROMATOGRAPHY; MOBILITY; SORPTION; BINDING; IODATE; SOIL AB Because iodine-129 has a half-life of nearly 16 million years, poses major health threats, and can be mobile in the environment, it is important to use the best estimates for kinetics of sorption in risk assessment models. Previous work estimating the iodine sorption has not allowed for samples to reach full equilibrium and field studies have reported significant fractions of up to three major species of iodine; therefore, further research into the kinetics of iodine sorption to sediments is warranted. The objective of this study is to investigate the kinetics of iodine sorption in the presence of subsurface upland sediments and wetland sediments from an area within an I-129 plume at the Savannah River Site in Aiken, SC. Batch sorption studies for these systems took longer than 8 weeks to reach equilibrium, which is significant as previous studies did not reach such timescales. In addition, experiments were conducted under oxic and anoxic conditions. Results confirm that there are three species present in these systems (iodide, iodate, and organo-iodine) with a majority as organo-iodine species at equilibrium for systems with high organic matter content. It is notable that the anoxic conditions exhibited reduced sorption for the iodate species to wetland sediment with high organic matter. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Emerson, Hilary P.; Lilley, Michael; Powell, Brian A.] Clemson Univ, Dept Environm Engn & Earth Sci, Anderson, SC 29625 USA. [Xu, Chen; Ho, Yi-Fang; Zhang, S.; Schwehr, Kathleen A.; Santschi, Peter H.] Texas A&M Univ, Dept Marine Sci, Lab Environm & Oceanog Res, Galveston, TX 77551 USA. [Kaplan, Daniel I.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Powell, BA (reprint author), Clemson Univ, Dept Environm Engn & Earth Sci, 342 Comp Court, Anderson, SC 29625 USA. EM bpowell@clemson.edu RI Powell, Brian /C-7640-2011 OI Powell, Brian /0000-0003-0423-0180 FU U.S. Department of Energy (DOE) Office of Science - Subsurface Biogeochemistry Research program [DE-SC0006823]; DOE [DE-AD09-96SR18500] FX The authors thank the anonymous reviewers for their helpful comments. This work was funded by the U.S. Department of Energy (DOE) Office of Science - Subsurface Biogeochemistry Research program (DE-SC0006823). Work at the Savannah River National Laboratory was conducted under DOE contract DE-AD09-96SR18500. NR 24 TC 7 Z9 7 U1 0 U2 28 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 JUN PY 2014 VL 45 BP 105 EP 113 DI 10.1016/j.apgeochem.2014.03.002 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AH8GU UT WOS:000336375800009 ER PT J AU Strachan, DM Neeway, JJ AF Strachan, Denis M. Neeway, James J. TI Effects of alteration product precipitation on glass dissolution SO APPLIED GEOCHEMISTRY LA English DT Article ID NUCLEAR-WASTE GLASS; SECONDARY MINERAL PRECIPITATION; ALKALI-FELDSPAR DISSOLUTION; HIGH-LEVEL-WASTE; HYDRAULICALLY UNSATURATED CONDITIONS; FLOW-THROUGH EXPERIMENTS; TRANSITION-STATE THEORY; KINETICS CURRENT STATE; 200 DEGREES-C; BOROSILICATE GLASS AB Understanding the mechanisms that control the durability of nuclear waste glass is paramount if reliable models are to be constructed so that the glass dissolution rate in a given geological repository can be calculated. Presently, it is agreed that (boro) silicate glasses dissolve in water at a rate dependent on the solution concentration of orthosilicic acid (H4SiO4) with higher [H4SiO4] leading to lower dissolution rates. Once the reaction has slowed as a result of the buildup of H4SiO4, another increase in the rate has been observed that corresponds to the precipitation of certain silica-bearing alteration products. However, it has also been observed that the concentration of silica- bearing solution species does not significantly decrease, indicating saturation, while other glass tracer elements concentrations continue to increase, indicating that the glass is still dissolving. In this study, we have used the Geochemist's Workbench code to investigate the relationship between glass dissolution rates and the precipitation rate of a representative zeolitic silica- bearing alteration product, analcime [Na( AlSi2O6).H2O]. To simplify the calculations, we suppressed all alteration products except analcime, gibbsite (Al(OH)(3)), and amorphous silica. The pseudo- equilibrium- constant matrix for amorphous silica was substituted for the glass pseudoequilibrium- constant matrix because it has been shown that silicate glasses act as a silica- only solid with respect to kinetic considerations. In this article, we present the results of our calculations of the glass dissolution rate at different values for the analcime precipitation rate constant and the effects of varying the glass dissolution rate constant at a constant analcime precipitation rate constant. From the simulations we conclude, firstly, that the rate of glass dissolution is dependent on the kinetics of formation of the zeolitic phase. Therefore, the kinetics of secondary phase formation is an important parameter that should be taken into account in future glass dissolution modeling efforts. Secondly, the results indicate that, in the absence of a gel layer, the glass dissolution rate controls the rate of analcime precipitation in the long term. The meaning of these results pertinent to long-term glass durability is discussed. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Strachan, Denis M.; Neeway, James J.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Strachan, DM (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM Denis.Strachan@pnnl.gov OI Neeway, Jim/0000-0001-7046-8408 FU U.S. Department of Energy Office of Nuclear Energy; U.S. Department of Energy by Battelle Memorial Institute [DE-AC06-76RLO 1830] FX The authors wish to acknowledge the helpful comments from our colleagues Drs. Joseph Ryan and John Vienna and the very helpful comments from an anonymous referee. 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 102 TC 6 Z9 7 U1 3 U2 36 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 JUN PY 2014 VL 45 BP 144 EP 157 DI 10.1016/j.apgeochem.2014.03.013 PG 14 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AH8GU UT WOS:000336375800013 ER PT J AU French, A Langan, P AF French, Alfred Langan, Paul TI 100 years of cellulose fiber diffraction and the emergence of complementary techniques PREFACE SO CELLULOSE LA English DT Editorial Material C1 [French, Alfred] USDA, So Reg Res Ctr, New Orleans, LA 70179 USA. [Langan, Paul] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN USA. RP French, A (reprint author), USDA, So Reg Res Ctr, New Orleans, LA 70179 USA. EM cellulose.editor@gmail.com RI Langan, Paul/N-5237-2015 OI Langan, Paul/0000-0002-0247-3122 NR 0 TC 0 Z9 0 U1 0 U2 9 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD JUN PY 2014 VL 21 IS 3 BP 1087 EP 1089 DI 10.1007/s10570-014-0228-0 PG 3 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA AH7OL UT WOS:000336322800001 ER PT J AU Sawada, D Hanson, L Wada, M Nishiyama, Y Langan, P AF Sawada, Daisuke Hanson, Leif Wada, Masahisa Nishiyama, Yoshiharu Langan, Paul TI The initial structure of cellulose during ammonia pretreatment SO CELLULOSE LA English DT Article DE Low temperature phase (LTP) ammonia-cellulose I; X-ray diffraction; Biomass; AFEX; Amine complex ID NEUTRON FIBER DIFFRACTION; X-RAY-DIFFRACTION; HYDROGEN-BONDING SYSTEM; LIQUID-AMMONIA; CRYSTALLINE CELLULOSE; NATIVE CELLULOSE; ELECTRON-DIFFRACTION; NONAQUEOUS SYSTEMS; TRANSFORMATION; VALONIA AB A protocol was developed to freeze-trap (at 150 K) cellulose as it is undergoing liquid ammonia pretreatment, and then to collect X-ray diffraction data from the freeze-trapped reactants as the reaction is allowed to proceed and ammonia is allowed to melt and then evaporate, leaving ammonia-cellulose I. Cellulose adopts a new two-chain crystal form, which we call low temperature phase ammonia-cellulose I (two-chains and similar to ten ammonia molecules within a unit cell of a = 15.49 a"<<, b = 11.35 a"<<, c = 10.42 a"<< and gamma = 143.5A degrees). A schematic model was developed that is characterized by sheets of hydrophobically stacked cellulose-chains with hydrophilic channels between them that are filled with ammonia molecules. Neighboring chains in these sheets have either different conformations or are staggered with respect to each other. As ammonia is allowed to evaporate, the unit cell size is reduced by a factor of two as the two independent chains become identical. C1 [Sawada, Daisuke; Langan, Paul] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Hanson, Leif] Univ Toledo, Dept Chem, Toledo, OH 43606 USA. [Wada, Masahisa] Univ Tokyo, Dept Biomat Sci, Grad Sch Agr & Life Sci, Tokyo 1138657, Japan. [Wada, Masahisa] Kyung Hee Univ, Dept Plant & Environm New Resources, Coll Life Sci, Yongin 446701, Gyeonggi Do, South Korea. [Nishiyama, Yoshiharu] Univ Grenoble 1, CNRS, Ctr Rech Macromol Vegetales, F-38041 Grenoble 9, France. RP Sawada, D (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. EM sawadad@ornl.gov RI Nishiyama, Yoshiharu/A-3492-2012; Hanson, Bryant Leif/F-8007-2010; Langan, Paul/N-5237-2015 OI Nishiyama, Yoshiharu/0000-0003-4069-2307; Hanson, Bryant Leif/0000-0003-0345-3702; Langan, Paul/0000-0002-0247-3122 FU Genomic Science Program of the Office of Biological and Environmental Research, US Department of Energy [FWP ERKP752] FX This work was funded by the Genomic Science Program of the Office of Biological and Environmental Research, US Department of Energy, under FWP ERKP752. NR 31 TC 1 Z9 1 U1 4 U2 37 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD JUN PY 2014 VL 21 IS 3 BP 1117 EP 1126 DI 10.1007/s10570-014-0218-2 PG 10 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA AH7OL UT WOS:000336322800004 ER PT J AU Diehl, BG Watts, HD Kubicki, JD Regner, MR Ralph, J Brown, NR AF Diehl, Brett G. Watts, Heath D. Kubicki, James D. Regner, Matthew R. Ralph, John Brown, Nicole R. TI Towards lignin-protein crosslinking: amino acid adducts of a lignin model quinone methide SO CELLULOSE LA English DT Article DE Nuclear magnetic resonance spectroscopy; Lignin; Protein; Quinone methide; Amino acid; Crosslinking; Density functional theory ID PLANT-CELL-WALL; NMR CHEMICAL-SHIFTS; GLYCINE-RICH PROTEIN; SHIELDING TENSORS; BASIS-SETS; C-13 NMR; CHEMISTRY; COMPLEX; BIOSYNTHESIS; PEPTIDE AB The polyaromatic structure of lignin has long been recognized as a key contributor to the rigidity of plant vascular tissues. Although lignin structure was once conceptualized as a highly networked, heterogeneous, high molecular weight polymer, recent studies have suggested a very different configuration may exist in planta. These findings, coupled with the increasing attention and interest in efficiently utilizing lignocellulosic materials for green materials and energy applications, have renewed interest in lignin chemistry. Here we focus on quinone methides (QMs)-key intermediates in lignin polymerization-that are quenched via reaction with cell-wall-available nucleophiles. Reactions with alcohol and uronic acid groups of hemicelluloses, for example, can lead to lignin-carbohydrate crosslinks. Our work is a first step toward exploring potential QM reactions with nucleophilic groups in cell wall proteins. We conducted a model compound study wherein the lignin model compound guaiacylglycerol-beta-guaiacyl ether 1, was converted to its QM 2, then reacted with amino acids bearing nucleophilic side-groups. Yields for the QM-amino acid adducts ranged from quantitative in the case of QM-lysine 3, to zero (no reaction) in the cases of QM-threonine (Thr) 10 and QM-hydroxyproline (Hyp) 11. The structures of the QM-amino acid adducts were confirmed via 1D and 2D nuclear magnetic resonance (NMR) spectroscopy and density functional theory (DFT) calculations, thereby extending the lignin NMR database to include amino acid crosslinks. Some of the QM-amino acid adducts formed both syn- and anti-isomers, whereas others favored only one isomer. Because the QM-Thr 10 and QM-Hyp 11 compounds could not be experimentally prepared under conditions described here but could potentially form in vivo, we used DFT to calculate their NMR shifts. Characterization of these model adducts extends the lignin NMR database to aid in the identification of lignin-protein linkages in more complex in vitro and in vivo systems, and may allow for the identification of such linkages in planta. C1 [Diehl, Brett G.; Brown, Nicole R.] Penn State Univ, Dept Agr & Biol Engn, University Pk, PA 16802 USA. [Watts, Heath D.; Kubicki, James D.] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. [Kubicki, James D.] Penn State Univ, Earth & Environm Syst Inst, University Pk, PA 16802 USA. [Regner, Matthew R.; Ralph, John] Wisconsin Energy Inst, Dept Biochem, Madison, WI 53726 USA. [Regner, Matthew R.; Ralph, John] Wisconsin Energy Inst, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA. RP Diehl, BG (reprint author), Penn State Univ, Dept Agr & Biol Engn, 226 Forest Resources Bldg, University Pk, PA 16802 USA. EM bgd115@psu.edu; hdw115@psu.edu; jdk7@psu.edu; mregner@gmail.com; jralph@wisc.edu; nrb10@psu.edu RI Kubicki, James/I-1843-2012 OI Kubicki, James/0000-0002-9277-9044 FU Center for Lignocellulose Structure and Formation, an Energy Frontier Research Center - US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001090]; DOE Great Lakes Bioenergy Research Center (DOE Office of Science) [BER DE-FC02-07ER64494]; USDA National Needs Program; National Science Foundation FX This research was supported as part of The Center for Lignocellulose Structure and Formation, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001090, and the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494). The authors would like to thank and acknowledge the Center for Lignocellulose Structure and Formation (CLSF) and the members thereof. Student fellowships were provided by the USDA National Needs Program and the National Science Foundation. The authors would like to thank Dr. Alan Benesi and Dr. Wenbin Luo for assistance in acquiring NMR spectra of the lignin model compounds, Dr. James Miller for acquiring mass spec data, and Dr. Josh Stapleton for providing assistance with UV/Vis. The primary author would also like to acknowledge Paul Munson and Curtis Frantz for valuable discussion, and valuable interactions with Dan Gall and other members of the Wisconsin lab. NR 64 TC 2 Z9 2 U1 2 U2 44 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD JUN PY 2014 VL 21 IS 3 BP 1395 EP 1407 DI 10.1007/s10570-014-0181-y PG 13 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA AH7OL UT WOS:000336322800029 ER PT J AU Oh, H Madison, C Villeneuve, S Markley, C Jagust, WJ AF Oh, Hwamee Madison, Cindee Villeneuve, Sylvia Markley, Candace Jagust, William J. TI Association of Gray Matter Atrophy with Age, beta-Amyloid, and Cognition in Aging SO CEREBRAL CORTEX LA English DT Article DE aging; amyloid; cognition; Pittsburgh compound B-positron emission tomography; structure ID PITTSBURGH COMPOUND-B; ALZHEIMERS-DISEASE; OLDER-ADULTS; HIPPOCAMPAL VOLUME; ELDERLY SUBJECTS; CEREBRAL-CORTEX; BRAIN ATROPHY; MEMORY; DEPOSITION; MILD AB Both cognitive aging and beta-amyloid (A beta) deposition, a pathological hallmark of Alzheimer's disease, are associated with structural and cognitive changes in cognitively normal older people. To examine independent effects of age and A beta deposition on cognition and brain structure in aging, 83 cognitively normal older adults underwent structural magnetic resonance imaging scans and neuropsychological tests and were classified as negative (PIB-) or positive (PIB+) for A beta deposition using the radiotracer Pittsburgh compound B (PIB). Weighted composite discriminant scores represented subjects' cognition. Older adults showed age-related gray matter (GM) atrophy across the whole brain regardless of A beta deposition. Amyloid burden within PIB+ subjects, however, was associated with GM atrophy in the frontal, parietal, and temporal cortices. Associations between cognition and volume in PIB- subjects were primarily seen throughout frontal regions and the striatum, while, in PIB+ subjects, these associations were seen in orbital-frontal and hippocampal regions. Furthermore, in PIB- subjects, cognition was related to putaminal volume, but not to hippocampus, while, in PIB+ subjects, cognition was related to hippocampal volume, but not to putamen. These findings highlight differential age and A beta effects on brain structure, indicating effects of age and A beta that operate somewhat independently to affect frontostriatal and medial temporal brain systems. C1 [Oh, Hwamee; Madison, Cindee; Villeneuve, Sylvia; Markley, Candace; Jagust, William J.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Jagust, William J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Life Sci Div, Berkeley, CA 94720 USA. RP Oh, H (reprint author), Univ Calif Berkeley, Helen Wills Neurosci Inst, 132 Barker Hall MC 3190, Berkeley, CA 94720 USA. EM hwameeoh@berkeley.edu FU National Institutes of Health [AG034570]; Alzheimer's Association [ZEN-08-87090] FX National Institutes of Health (AG034570) and Alzheimer's Association (ZEN-08-87090). NR 46 TC 16 Z9 16 U1 2 U2 9 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 1047-3211 EI 1460-2199 J9 CEREB CORTEX JI Cereb. Cortex PD JUN PY 2014 VL 24 IS 6 BP 1609 EP 1618 DI 10.1093/cercor/bht017 PG 10 WC Neurosciences SC Neurosciences & Neurology GA AI0IG UT WOS:000336529700018 PM 23389995 ER PT J AU Perumalla, KS Park, AJ AF Perumalla, Kalyan S. Park, Alfred J. TI Reverse computation for rollback-based fault tolerance in large parallel systems SO CLUSTER COMPUTING-THE JOURNAL OF NETWORKS SOFTWARE TOOLS AND APPLICATIONS LA English DT Article DE Checkpointing; Rollback; Reverse computation; Performance evaluation; Parallel; Systems; Fault tolerance AB Reverse computation is presented here as an important future direction in addressing the challenge of fault tolerant execution on very large cluster platforms for parallel computing. As the scale of parallel jobs increases, traditional checkpointing approaches suffer scalability problems ranging from computational slowdowns to high congestion at the persistent stores for checkpoints. Reverse computation can overcome such problems and is also better suited for parallel computing on newer architectures with smaller, cheaper or energy-efficient memories and file systems. Initial evidence for the feasibility of reverse computation in large systems is presented with detailed performance data from a particle (ideal gas) simulation scaling to 65,536 processor cores and 950 accelerators (GPUs). Reverse computation is observed to deliver very large gains relative to checkpointing schemes when nodes rely on their host processors/memory to tolerate faults at their accelerators. A comparison between reverse computation and checkpointing with measurements such as cache miss ratios, TLB misses and memory usage indicates that reverse computation is hard to ignore as a future alternative to be pursued in emerging architectures. C1 [Perumalla, Kalyan S.; Park, Alfred J.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. RP Perumalla, KS (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. EM perumallaks@ornl.gov; parkaj@ornl.gov OI Perumalla, Kalyan/0000-0002-7458-0832 FU UT-Battelle, LLC [DE-AC05-00OR22725]; U.S. Department of Energy (DOE); United States Government FX This paper has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy (DOE). Accordingly, 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. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory supported by the Office of Science of the DOE. NR 16 TC 5 Z9 5 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1386-7857 EI 1573-7543 J9 CLUSTER COMPUT JI Cluster Comput. PD JUN PY 2014 VL 17 IS 2 BP 303 EP 313 DI 10.1007/s10586-013-0277-4 PG 11 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA AH8YP UT WOS:000336424400014 ER PT J AU Yun, ZF Lei, Z Allen, G Katz, DS Ramanujam, J AF Yun, Zhifeng Lei, Zhou Allen, Gabrielle Katz, Daniel S. Ramanujam, J. TI DA-TC: a novel application execution model in multicluster systems SO CLUSTER COMPUTING-THE JOURNAL OF NETWORKS SOFTWARE TOOLS AND APPLICATIONS LA English DT Article DE Scheduling; Execution management; Load balancing; Cluster computing; Multi-clusters; Distributed systems ID TIME PREDICTIONS; PERFORMANCE; ALLOCATION; COMPUTERS; GRIDS; JOBS AB The availability of a large number of separate clusters has given rise to the field of multicluster systems in which these resources are coupled to obtain their combined benefits to solve large-scale compute-intensive applications. However, it is challenging to achieve automatic load balancing of the jobs across these participating autonomic systems. We developed a novel user space execution model named DA-TC to address the workload allocation techniques for the applications with large number of sequential jobs in multicluster systems. Through this model, we can achieve dynamic load balancing for task assignment, and slower resources become beneficial factors rather than bottlenecks for application execution. The effectiveness of this strategy is demonstrated through theoretical analysis. This model is also evaluated through extensive experimental studies and the results show that when compared with the traditional method, the proposed DA-TC model can significantly improve the performance of application execution in terms of application turnaround time and system reliability in multicluster circumstances. C1 [Yun, Zhifeng] Louisiana State Univ, Ctr Computat & Technol, Baton Rouge, LA 70803 USA. [Lei, Zhou] Shanghai Univ, Sch Comp Engn & Sci, Shanghai, Peoples R China. [Allen, Gabrielle; Ramanujam, J.] Louisiana State Univ, Sch Elect Engn & Comp Sci, Baton Rouge, LA 70803 USA. [Katz, Daniel S.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Katz, Daniel S.] Argonne Natl Lab, Chicago, IL USA. RP Yun, ZF (reprint author), Louisiana State Univ, Ctr Computat & Technol, Baton Rouge, LA 70803 USA. EM zyun@cct.lsu.edu OI Katz, Daniel S./0000-0001-5934-7525 FU U.S. Department of Energy (DOE) [DE-FG02-04ER46136]; Louisiana Board of Regents [DOE/LEQSF (2004-07)]; U.S. National Science Foundation [0811457, 0926687, 1059417]; U.S. Army [W911NF-10-1-0004] FX We thank the reviewers for their feedback and suggestions that have helped us improve the presentation of the paper. This work is supported in part by the U.S. Department of Energy (DOE) under Award Number DE-FG02-04ER46136, by the Louisiana Board of Regents under contract number DOE/LEQSF (2004-07), by the U.S. National Science Foundation through awards 0811457, 0926687 and 1059417, and by the U.S. Army through contract W911NF-10-1-0004. Portions of this research were conducted using computational resources provided by the Louisiana Optical Network Initiative (http://www.loni.org). NR 39 TC 0 Z9 0 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1386-7857 EI 1573-7543 J9 CLUSTER COMPUT JI Cluster Comput. PD JUN PY 2014 VL 17 IS 2 BP 371 EP 387 DI 10.1007/s10586-012-0228-5 PG 17 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA AH8YP UT WOS:000336424400020 ER PT J AU Tian, Y Xu, C Yu, WK Vetter, JS Klasky, S Liu, HG Biaz, S AF Tian, Yuan Xu, Cong Yu, Weikuan Vetter, Jeffrey S. Klasky, Scott Liu, Honggao Biaz, Saad TI neCODEC: nearline data compression for scientific applications SO CLUSTER COMPUTING-THE JOURNAL OF NETWORKS SOFTWARE TOOLS AND APPLICATIONS LA English DT Article DE MPI-IO; Lustre; Data compression ID ISABELA AB Advances on multicore technologies lead to processors with tens and soon hundreds of cores in a single socket, resulting in an ever growing gap between computing power and available memory and I/O bandwidths for data handling. It would be beneficial if some of the computing power can be transformed into gains of I/O efficiency, thereby reducing this speed disparity between computing and I/O. In this paper, we design and implement a NEarline data COmpression and DECompression (neCODEC) scheme for data-intensive parallel applications. Several salient techniques are introduced in neCODEC, including asynchronous compression threads, elastic file representation, distributed metadata handling, and balanced subfile distribution. Our performance evaluation indicates that neCODEC can improve the performance of a variety of data-intensive microbenchmarks and scientific applications. Particularly, neCODEC is capable of increasing the effective bandwidth of S3D, a combustion simulation code, by more than 5 times. C1 [Tian, Yuan; Xu, Cong; Yu, Weikuan; Biaz, Saad] Auburn Univ, Auburn, AL 36849 USA. [Vetter, Jeffrey S.; Klasky, Scott] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Liu, Honggao] Louisiana State Univ, Baton Rouge, LA 70808 USA. RP Yu, WK (reprint author), Auburn Univ, Auburn, AL 36849 USA. EM tianyua@auburn.edu; congxu@auburn.edu; wkyu@auburn.edu; vetter@ornl.gov; klasky@ornl.gov; honggao@cct.lsu.edu; biazsaa@auburn.edu FU National Science Foundation [CNS-0917137, CNS-1059376]; Office of Advanced Scientific Computing Research; U.S. Department of Energy FX This work is funded in part by National Science Foundation awards CNS-0917137 and CNS-1059376. This research is sponsored in part by the Office of Advanced Scientific Computing Research; U.S. Department of Energy. This research is conducted with high performance computational resources provided by the Louisiana Optical Network Initiative (http://www.loni.org). We are very grateful for the technical support from the LONI team. NR 31 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1386-7857 EI 1573-7543 J9 CLUSTER COMPUT JI Cluster Comput. PD JUN PY 2014 VL 17 IS 2 BP 475 EP 486 DI 10.1007/s10586-013-0265-8 PG 12 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA AH8YP UT WOS:000336424400028 ER PT J AU Seel, J Barbose, GL Wiser, RH AF Seel, Joachim Barbose, Galen L. Wiser, Ryan H. TI An analysis of residential PV system price differences between the United States and Germany SO ENERGY POLICY LA English DT Article DE Photovoltaics; Soft costs; System pricing ID LEARNING-CURVE; CALIFORNIA; DIFFUSION; PROSPECTS; IMPACT AB Residential photovoltaic (PV) systems were twice as expensive in the United States as in Germany (median of $5.29/W vs. $2.59/W) in 2012. This price discrepancy stems primarily from differences in non-hardware or "soft" costs between the two countries, which can only in part be explained by differences in cumulative market size and associated learning. A survey of German PV installers was deployed to collect granular data on PV soft costs in Germany, and the results are compared to those of a similar survey of U.S. PV installers. Non-module hardware costs and all analyzed soft costs are lower in Germany, especially for customer acquisition, installation labor, and profit/overhead costs, but also for expenses related to permitting, interconnection, and inspection procedures. Additional costs occur in the United States due to state and local sales taxes, smaller average system sizes, and longer project-development times. To reduce the identified additional costs of residential PV systems, the United States could introduce policies that enable a robust and lasting market while minimizing market fragmentation. Regularly declining incentives offering a transparent and certain value proposition combined with simple interconnection, permitting, and inspection requirements might help accelerate PV cost reductions in the United States. Published by Elsevier Ltd. C1 [Seel, Joachim; Barbose, Galen L.; Wiser, Ryan H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Seel, Joachim] Univ Calif Berkeley, Berkeley, CA 94720 USA. RP Seel, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. FU U.S. Department of Energy's Solar Energy Technologies Office FX This work would not have been possible without the assistance of many residential PV installers in the United States and Germany, data support by the firm EuPD, and collaboration and guidance by our colleagues at NREL, especially the work of surveying U.S. installers by Kristen Ardani, Ted James, and Al Goodrich. We thank the sponsors of this work at the U.S. Department of Energy's Solar Energy Technologies Office, in particular Minh Le, Christina Nichols, and Elaine Ulrich. In addition we are indebted to the helpful comments of our anonymous reviewers. NR 52 TC 30 Z9 31 U1 2 U2 15 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 JUN PY 2014 VL 69 BP 216 EP 226 DI 10.1016/j.enpol.2014.02.022 PG 11 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA AH9MX UT WOS:000336467600021 ER PT J AU Attanasio, C Nord, AS Zhu, YW Blow, MJ Biddie, SC Mendenhall, EM Dixon, J Wright, C Hosseini, R Akiyama, JA Holt, A Plajzer-Frick, I Shoukry, M Afzal, V Ren, B Bernstein, BE Rubin, EM Visel, A Pennacchio, LA AF Attanasio, Catia Nord, Alex S. Zhu, Yiwen Blow, Matthew J. Biddie, Simon C. Mendenhall, Eric M. Dixon, Jesse Wright, Crystal Hosseini, Roya Akiyama, Jennifer A. Holt, Amy Plajzer-Frick, Ingrid Shoukry, Malak Afzal, Veena Ren, Bing Bernstein, Bradley E. Rubin, Edward M. Visel, Axel Pennacchio, Len A. TI Tissue-specific SMARCA4 binding at active and repressed regulatory elements during embryogenesis SO GENOME RESEARCH LA English DT Article ID CHROMATIN-REMODELING COMPLEX; EMBRYONIC STEM-CELLS; MUSCLE DEVELOPMENT; SWI/SNF COMPLEXES; SELF-RENEWAL; BRG1; ENHANCERS; GENOME; TRANSCRIPTION; EXPRESSION AB The SMARCA4 (also known as BRG1 in humans) chromatin remodeling factor is critical for establishing lineage-specific chromatin states during early mammalian development. However, the role of SMARCA4 in tissue-specific gene regulation during embryogenesis remains poorly defined. To investigate the genome-wide binding landscape of SMARCA4 in differentiating tissues, we engineered a Smarca4 FLAG knock-in mouse line. Using ChIP-seq, we identified similar to 51,000 SMARCA4associated regions across six embryonic mouse tissues (forebrain, hindbrain, neural tube, heart, limb, and face) at midgestation (E11.5). The majority of these regions was distal from promoters and showed dynamic occupancy, with most distal SMARCA4 sites (73%) confined to a single or limited subset of tissues. To further characterize these regions, we profiled active and repressive histone marks in the same tissues and examined the intersection of informative chromatin states and SMARCA4 binding. This revealed distinct classes of distal SMARCA4-associated elements characterized by activating and repressive chromatin signatures that were associated with tissue-specific up-or down-regulation of gene expression and relevant active/repressed biological pathways. We further demonstrate the predicted active regulatory properties of SMARCA4associated elements by retrospective analysis of tissue-specific enhancers and direct testing of SMARCA4-bound regions in transgenic mouse assays. Our results indicate a dual active/repressive function of SMARCA4 at distal regulatory sequences in vivo and support its role in tissue-specific gene regulation during embryonic development. C1 [Attanasio, Catia; Nord, Alex S.; Zhu, Yiwen; Hosseini, Roya; Akiyama, Jennifer A.; Holt, Amy; Plajzer-Frick, Ingrid; Shoukry, Malak; Afzal, Veena; Rubin, Edward M.; Visel, Axel; Pennacchio, Len A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Blow, Matthew J.; Biddie, Simon C.; Wright, Crystal; Rubin, Edward M.; Visel, Axel; Pennacchio, Len A.] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. [Biddie, Simon C.] Cambridge Univ NHS Trust, Addenbrookes Hosp, Cambridge CB2 0QQ, England. [Mendenhall, Eric M.; Bernstein, Bradley E.] Massachusetts Gen Hosp, HHMI, Boston, MA 02114 USA. [Mendenhall, Eric M.; Bernstein, Bradley E.] Massachusetts Gen Hosp, Dept Pathol, Boston, MA 02114 USA. [Mendenhall, Eric M.; Bernstein, Bradley E.] Harvard Univ, Sch Med, Boston, MA 02114 USA. [Dixon, Jesse; Ren, Bing] UCSD Sch Med, Ludwig Inst Canc Res, La Jolla, CA 92093 USA. RP Pennacchio, LA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. EM lapennacchio@lbl.gov RI Blow, Matthew/G-6369-2012; Visel, Axel/A-9398-2009; attanasio, catia/D-5042-2017; OI Blow, Matthew/0000-0002-8844-9149; Visel, Axel/0000-0002-4130-7784; Biddie, Simon/0000-0002-8253-0253; Mendenhall, Eric/0000-0002-7395-6295 FU National Human Genome Research Institute [HG003988, U54HG006997]; Swiss National Science Foundation (SNSF) Advanced Researcher fellowship; NIH/NIGMS NRSA F32 [GM105202]; University of California [DE-AC02-05CH11231] FX L.A.P. and A.V. were supported by grants HG003988 and U54HG006997 funded by the National Human Genome Research Institute. C.A. was supported by the Swiss National Science Foundation (SNSF) Advanced Researcher fellowship. A.S.N. was supported by NIH/NIGMS NRSA F32 fellowship GM105202. Research was conducted at the E.O. Lawrence Berkeley National Laboratory and performed under Department of Energy Contract DE-AC02-05CH11231, University of California. NR 52 TC 19 Z9 19 U1 0 U2 10 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 JUN PY 2014 VL 24 IS 6 BP 920 EP 929 DI 10.1101/gr.168930.113 PG 10 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA AI2BQ UT WOS:000336662200004 PM 24752179 ER PT J AU Nguyen, TA Menendez, D Resnick, MA Anderson, CW AF Nguyen, Thuy-Ai Menendez, Daniel Resnick, Michael A. Anderson, Carl W. TI Mutant TP53 Posttranslational Modifications: Challenges and Opportunities SO HUMAN MUTATION LA English DT Review DE TP53; p53; phosphorylation; acetylation; methylation; ubiquitylation; transcription ID DNA-DAMAGE RESPONSE; TUMOR-SUPPRESSOR PROTEIN; WILD-TYPE P53; PROSTATE-CANCER CELLS; PROLYL ISOMERASE PIN1; LI-FRAUMENI-SYNDROME; POLO-LIKE KINASES; FUNCTIONS IN-VIVO; TETRAMERIZATION DOMAIN; IONIZING-RADIATION AB The wild-type (WT) human p53 (TP53) tumor suppressor can be posttranslationally modified at over 60 of its 393 residues. These modifications contribute to changes in TP53 stability and in its activity as a transcription factor in response to a wide variety of intrinsic and extrinsic stresses in part through regulation of protein-protein and protein-DNA interactions. The TP53 gene frequently is mutated in cancers, and in contrast to most other tumor suppressors, the mutations are mostly missense often resulting in the accumulation of mutant (MUT) protein, which may have novel or altered functions. Most MUT TP53s can be posttranslationally modified at the same residues as in WT TP53. Strikingly, however, codons for modified residues are rarely mutated in human tumors, suggesting that TP53 modifications are not essential for tumor suppression activity. Nevertheless, these modifications might alter MUT TP53 activity and contribute to a gain-of-function leading to increased metastasis and tumor progression. Furthermore, many of the signal transduction pathways that result in TP53 modifications are altered or disrupted in cancers. Understanding the signaling pathways that result in TP53 modification and the functions of these modifications in both WT TP53 and its many MUT forms may contribute to more effective cancer therapies. C1 [Nguyen, Thuy-Ai; Menendez, Daniel; Resnick, Michael A.; Anderson, Carl W.] NIEHS, Mol Genet Lab, Chromosome Stabil Sect, Res Triangle Pk, NC 27709 USA. [Anderson, Carl W.] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. RP Anderson, CW (reprint author), NIEHS, Mol Genet Lab, Res Triangle Pk, NC 27709 USA. EM cwa@bnl.gov FU Intramural Research Program of the NIH, National Institute of Environmental Health Sciences FX We thank K. Bebenek for assistance with structural representations of PTM residues, and D. W. Meek (University of Dundee) and K. Sakaguchi (Hokkaido University) for comments and suggestions. This research was supported in part by the Intramural Research Program of the NIH, National Institute of Environmental Health Sciences. NR 179 TC 15 Z9 16 U1 2 U2 15 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1059-7794 EI 1098-1004 J9 HUM MUTAT JI Hum. Mutat. PD JUN PY 2014 VL 35 IS 6 SI SI BP 738 EP 755 DI 10.1002/humu.22506 PG 18 WC Genetics & Heredity SC Genetics & Heredity GA AI1NX UT WOS:000336618900010 PM 24395704 ER PT J AU Yampikulsakul, N Byon, E Huang, S Sheng, SW You, MD AF Yampikulsakul, Nattavut Byon, Eunshin Huang, Shuai Sheng, Shuangwen You, Mingdi TI Condition Monitoring of Wind Power System With Nonparametric Regression Analysis SO IEEE TRANSACTIONS ON ENERGY CONVERSION LA English DT Article DE Control chart; fault diagnosis; statistical process control; support vector regression (SVR); wind energy ID SUPPORT VECTOR MACHINE AB Condition monitoring helps reduce the operations and maintenance costs by providing information about the physical condition of wind power systems. This study proposes to use a statistical method for effective condition monitoring. The turbine operation is significantly affected by external weather conditions. We model the wind turbine response as a function of weather variables, using a nonparametric regression method named least squares support vector regression. In practice, online condition monitoring of wind power systems often relies on datasets contaminated with outliers. This study proposes to use a weighted version of least squares support vector regression that provides a formal procedure for removing the outlier effects. We determine the decision boundaries to distinguish faulty conditions from normal conditions by examining the variations in the operational responses that are significantly affected by external weather. The results show that the proposed method effectively detects anomalies. C1 [Yampikulsakul, Nattavut; Byon, Eunshin; You, Mingdi] Univ Michigan, Dept Ind & Operat Engn, Ann Arbor, MI 48109 USA. [Huang, Shuai] Univ S Florida, Dept Ind & Management Syst Engn, Tampa, FL 33620 USA. [Sheng, Shuangwen] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Yampikulsakul, N (reprint author), Univ Michigan, Dept Ind & Operat Engn, Ann Arbor, MI 48109 USA. EM nattavut@umich.edu; ebyon@umich.edu; shuaihuang@usf.edu; Shuangwen.Sheng@nrel.gov; mingdyou@umich.edu OI sheng, shuangwen/0000-0003-0134-0907 NR 28 TC 11 Z9 11 U1 1 U2 12 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8969 EI 1558-0059 J9 IEEE T ENERGY CONVER JI IEEE Trans. Energy Convers. PD JUN PY 2014 VL 29 IS 2 BP 288 EP 299 DI 10.1109/TEC.2013.2295301 PG 12 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA AI5OH UT WOS:000336917900003 ER PT J AU Tian, GX Teat, SJ Rao, LF AF Tian, Guoxin Teat, Simon J. Rao, Linfeng TI Formation, structure, and optical properties of PuO22+ complexes with N,N,N ',N '-tetramethyl-3-oxa-glutaramide SO INORGANIC CHEMISTRY COMMUNICATIONS LA English DT Article DE Pu(VI); Complexation; Optical absorption; Symmetry ID ELECTRONIC ABSORPTION-SPECTRA; CRYSTAL-STRUCTURE; ACTINYL IONS; NEPTUNIUM(V); EXTRACTION; CHEMISTRY; DIAMIDE; CATIONS; NPO22+ AB SynopsisPu atom is at the inversion center of the PuO2L2(ClO4)2 complex where L stands for N,N,N ',N '-tetrtametryl-3-oxa-glutaramide (TMOGA). Due to the forbiddance of the f-f transitions, PuO2L2(ClO4)2 in solution is "silent" in near IR optical absorption and PuO2L2(ClO4)2 in solid does not have significant diffuse reflectance bands.The variation of the absorption spectra of Pu(VI) in the presence of a tridentate organic ligand, N,N,N ',N '-tetramethyl-3-oxa-glutaramide (TMOGA denoted as L), was interpreted with the assumption that the 1:2 complex, PuO2L2(ClO4)(2), is "silent" in optical absorption of the near IR region because the f-f transitions of Pu(VI) are forbidden due to the high symmetry of the complex. To test the assumption and demonstrate the validity of the Laporte's rule that governs the probability of f-f transitions, crystals of the PuO2L2(ClO4)(2) complex were synthesized from the aqueous solution and characterized with single-crystal X-ray diffraction and diffuse reflectance spectra. The structural data, showing that the square-based prism salt crystallized in a highly symmetrical tetragonal space group, I4/mcm, and the plutonium atom is on a center of inversion at the intersection of three perpendicular mirror planes, support the above assumption. The diffuse reflectance spectra of the solid PuO2L2(ClO4)(2) also showed no significant bands in the near IR region, consistent with the silent feature in the absorption spectra of this complex in solution. (C) 2014 Elsevier B.V. All rights reserved. C1 [Tian, Guoxin; Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Teat, SJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM SJTeat@lbl.gov; LRao@lbl.gov FU Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) [DE-ACO2-05CH11231] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy (DOE) under Contract No. DE-ACO2-05CH11231 at the Lawrence Berkeley National Laboratory (LBNL). Single-crystal X-ray diffraction data were collected and analyzed at the Advanced Light Source (ALS). ALS is supported by the Director, Office of Science, Office of Basic Energy Sciences, U.S. DOE under Contract No. DE-ACO2-05CH11231. NR 29 TC 1 Z9 2 U1 3 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-7003 EI 1879-0259 J9 INORG CHEM COMMUN JI Inorg. Chem. Commun. PD JUN PY 2014 VL 44 BP 32 EP 36 DI 10.1016/j.inoche.2014.02.050 PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA AI3OV UT WOS:000336772700008 ER PT J AU Sha, WT AF Sha, William T. TI Recent improvements of novel porous media formulation for multiphase flow conservation equation SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE Multiphase flow; Multiphase flow conservation equations; Time averaging; Volume averaging; Time-volume averaging; Statistical averaging; Local-volume-averaged theorems ID SYSTEMS; MOTION AB In the derivation of time averaging of local volume averaged multiphase flow conservation equations presented in my book titled "Novel Porous Media Formulation for Multiphase Flow Conservation Equations" published by Cambridge University Press, September, 2011. The high-frequency fluctuation of all dependent variables were included except for the high frequency fluctuations of volume fraction, fluid fluid interfacial area, and local averaging volume for the simplicity and lacking of pertinent experimental data on fluid-fluid interface. These equations are valid for use (1) for laminar flows by dropping out all high frequency terms in these derived equations; and (2) for weak turbulent flows allowing for neglecting of the high frequency fluctuations of volume fraction, fluid-fluid interfacial area and local averaging volume. The major contributions of this paper are (1) to include the high-frequency fluctuations of volume fraction, fluid-fluid interfacial area and local averaging volume, in the derivation for completeness and rigor, and to demonstrate flexibility of novel porous media formulation; (2) to incorporate the concept of a coherence component in turbulence and for simplification in deriving the time-volume averaged multiphase flow conservation equations; and (3) to include stationary, nonporous, and nonreactive internal structures. With these three improvements, a new set of multiphase flow conservation equations have been derived and presented here for the first time and they have greatly widened the range of applicability. (C) 2014 Published by Elsevier Ltd. C1 Sha & Associates Inc, Argonne Natl Lab, Multiphase Flow Res Inst, Oak Brook, IL 60523 USA. RP Sha, WT (reprint author), Sha & Associates Inc, Argonne Natl Lab, Multiphase Flow Res Inst, 2823 Meyers Rd, Oak Brook, IL 60523 USA. EM jsha893@aol.com NR 26 TC 0 Z9 0 U1 1 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0017-9310 EI 1879-2189 J9 INT J HEAT MASS TRAN JI Int. J. Heat Mass Transf. PD JUN PY 2014 VL 73 BP 859 EP 874 DI 10.1016/j.ijheatmasstransfer.2014.01.070 PG 16 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA AH7YV UT WOS:000336352200087 ER PT J AU Schultz, AJ Jorgensen, MRV Wang, XP Mikkelson, RL Mikkelson, DJ Lynch, VE Peterson, PF Green, ML Hoffmann, CM AF Schultz, Arthur J. Jorgensen, Mads Ry Vogel Wang, Xiaoping Mikkelson, Ruth L. Mikkelson, Dennis J. Lynch, Vickie E. Peterson, Peter F. Green, Mark L. Hoffmann, Christina M. TI Integration of neutron time-of-flight single-crystal Bragg peaks in reciprocal space SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID DIFFRACTION DATA; X-RAY; DIFFRACTOMETER; MOLECULE AB The intensity of single-crystal Bragg peaks obtained by mapping neutron time-of-flight event data into reciprocal space and integrating in various ways is compared. These methods include spherical integration with a fixed radius, ellipsoid fitting and integration of the peak intensity, and one-dimensional peak profile fitting. In comparison to intensities obtained by integrating in real detector histogram space, the data integrated in reciprocal space result in better agreement factors and more accurate atomic parameters. Furthermore, structure refinement using integrated intensities from one-dimensional profile fitting is demonstrated to be more accurate than simple peak-minus-background integration. C1 [Schultz, Arthur J.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Jorgensen, Mads Ry Vogel] Aarhus Univ, Ctr Mat Crystallog, Aarhus, Denmark. [Wang, Xiaoping; Hoffmann, Christina M.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Mikkelson, Ruth L.; Mikkelson, Dennis J.] Univ Wisconsin Stout, Dept Math Stat & Comp Sci, Menomonie, WI 54751 USA. [Lynch, Vickie E.; Peterson, Peter F.] Oak Ridge Natl Lab, Neutron Data Anal & Visualizat Div, Oak Ridge, TN 37831 USA. [Green, Mark L.] Tech X Corp, Williamsville, NY 14221 USA. RP Schultz, AJ (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ajschultz2@gmail.com; wangx@ornl.gov; hoffmanncm@ornl.gov RI Wang, Xiaoping/E-8050-2012; Lynch, Vickie/J-4647-2012; hoffmann, christina/D-2292-2016 OI Wang, Xiaoping/0000-0001-7143-8112; Lynch, Vickie/0000-0002-5836-7636; hoffmann, christina/0000-0002-7222-5845 FU Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC; US DOE BES Small Business Innovation Research grant [DE-SC000624]; Danish National Research Foundation [DNRF93] FX The neutron scattering measurements were carried out at the Spallation Neutron Source, which is sponsored by the Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy, under contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. AJS was partially supported by a US DOE BES Small Business Innovation Research grant (DE-SC000624) obtained by MLG of the Tech-X Corporation. MRVJ was supported by The Danish National Research Foundation (funding code DNRF93; Center for Materials Crystallography). We wish to thank Dr Jacob Overgaard for collecting the BIPa X-ray data. NR 29 TC 25 Z9 25 U1 3 U2 21 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 EI 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2014 VL 47 BP 915 EP 921 DI 10.1107/S1600576714006372 PN 3 PG 7 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA AI3DE UT WOS:000336738500010 ER PT J AU Ozturk, H Yan, HF Hill, JP Noyan, IC AF Oeztuerk, Hande Yan, Hanfei Hill, John P. Noyan, Ismail C. TI Sampling statistics of diffraction from nanoparticle powder aggregates SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID SIZE; PARTICLES; SCATTERING; SIMULATION; EQUATION; SHAPE AB In this study, the sampling statistics of X-ray diffraction data obtained from polycrystalline nanopowders are studied through analytical formulations and numerical modelling. It is shown that the very large acceptance angles of crystalline nanoparticles can cause issues in computing the number of diffracting grains scattering into a given Bragg reflection. These results intimate that formulations previously tested and verified for polycrystalline aggregates with grains larger than 500 nm should be revalidated for particles with coherent scattering lengths below 10 nm. C1 [Oeztuerk, Hande; Noyan, Ismail C.] Columbia Univ, New York, NY 10027 USA. [Yan, Hanfei] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. [Hill, John P.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. RP Noyan, IC (reprint author), Columbia Univ, 116th St & Broadway, New York, NY 10027 USA. EM icn2@columbia.edu RI Yan, Hanfei/F-7993-2011 OI Yan, Hanfei/0000-0001-6824-0367 FU US Department of Energy, Office of Science [DE-AC02-98CH10886] FX We would like to thank Chi-Chang Kao and James Misewich for encouraging us to work in this area and Mikhail Treger and Seung-Yub Lee for valuable discussions. This work was supported by the US Department of Energy, Office of Science, under contract No. DE-AC02-98CH10886. NR 27 TC 2 Z9 2 U1 2 U2 15 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 EI 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2014 VL 47 BP 1016 EP 1025 DI 10.1107/S1600576714008528 PN 3 PG 10 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA AI3DE UT WOS:000336738500022 ER PT J AU Borbely, A Renversade, L Kenesei, P Wright, J AF Borbely, Andras Renversade, Loic Kenesei, Peter Wright, Jonathan TI On the calibration of high-energy X-ray diffraction setups. I. Assessing tilt and spatial distortion of the area detector SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID SYNCHROTRON; CRYSTALLOGRAPHY; IMAGE; SCAN AB The geometry of high-energy X-ray diffraction setups using an area detector and a rotation axis is analysed. The present paper (part 1) describes the methodology for determining continuously varying spatial distortions and tilt of the area detector based on the reference diffraction rings of a certified powder. Analytical expressions describing the degeneration of Debye rings into ellipses are presented and a robust calibration procedure is introduced. It is emphasized that accurate detector calibration requires the introduction of spatial distortion into the equation describing the tilt. The method is applied to data sets measured at the Advanced Photon Source and at the European Synchrotron Radiation Facility using detectors with different physical characteristics, the GE 41RT flat-panel and the FReLoN4M detector, respectively. The spatial distortion of the detectors is compared with regard to their use in structural and strain tensor analysis, a subject treated in part 2 of the calibration work [Borbely, Renversade & Kenesei (2014). J. Appl. Cryst. Submitted]. C1 [Borbely, Andras; Renversade, Loic] Ecole Natl Super Mines, SMS EMSE, CNRS UMR 5307, LGF, F-42023 St Etienne 2, France. [Kenesei, Peter] Argonne Natl Lab, XSD Adv Photon Source, Argonne, IL 60439 USA. [Wright, Jonathan] European Synchrotron Radiat Facil, F-38043 Grenoble, France. RP Borbely, A (reprint author), Ecole Natl Super Mines, SMS EMSE, CNRS UMR 5307, LGF, F-42023 St Etienne 2, France. EM borbely@emse.fr RI Wright, Jonathan/A-4321-2010 OI Wright, Jonathan/0000-0002-8217-0884 FU US DOE [DE-AC02-06CH11357]; French ANR project AMOS FX AB acknowledges the support of the APS and ESRF for beamtime allocation under the proposals GUP-23795 and MA711, respectively. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the US DOE under contract No. DE-AC02-06CH11357. AB also acknowledges the financial support of the French ANR project AMOS. NR 25 TC 4 Z9 4 U1 2 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 EI 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2014 VL 47 BP 1042 EP 1053 DI 10.1107/S160057671400898X PN 3 PG 12 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA AI3DE UT WOS:000336738500025 ER PT J AU Barty, A Kirian, RA Maia, FRNC Hantke, M Yoon, CH White, TA Chapman, H AF Barty, Anton Kirian, Richard A. Maia, Filipe R. N. C. Hantke, Max Yoon, Chun Hong White, Thomas A. Chapman, Henry TI Cheetah: software for high-throughput reduction and analysis of serial femtosecond X-ray diffraction data SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID LASER AB The emerging technique of serial X-ray diffraction, in which diffraction data are collected from samples flowing across a pulsed X-ray source at repetition rates of 100 Hz or higher, has necessitated the development of new software in order to handle the large data volumes produced. Sorting of data according to different criteria and rapid filtering of events to retain only diffraction patterns of interest results in significant reductions in data volume, thereby simplifying subsequent data analysis and management tasks. Meanwhile the generation of reduced data in the form of virtual powder patterns, radial stacks, histograms and other meta data creates data set summaries for analysis and overall experiment evaluation. Rapid data reduction early in the analysis pipeline is proving to be an essential first step in serial imaging experiments, prompting the authors to make the tool described in this article available to the general community. Originally developed for experiments at X-ray free-electron lasers, the software is based on a modular facility-independent library to promote portability between different experiments and is available under version 3 or later of the GNU General Public License. C1 [Barty, Anton; Kirian, Richard A.; Yoon, Chun Hong; White, Thomas A.; Chapman, Henry] Deutsch Elektronen Synchrotron DESY, Ctr Free Elect Laser Sci, D-22607 Hamburg, Germany. [Maia, Filipe R. N. C.; Hantke, Max] Uppsala Univ, Dept Cell & Mol Biol, Lab Mol Biophys, Uppsala, Sweden. [Maia, Filipe R. N. C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, NERSC, Berkeley, CA 94720 USA. [Yoon, Chun Hong] European XFEL GmbH, D-22761 Hamburg, Germany. [Chapman, Henry] Univ Hamburg, D-22761 Hamburg, Germany. RP Barty, A (reprint author), Deutsch Elektronen Synchrotron DESY, Ctr Free Elect Laser Sci, Notkestr 85, D-22607 Hamburg, Germany. EM anton.barty@desy.de RI Barty, Anton/K-5137-2014; Chapman, Henry/G-2153-2010; OI Barty, Anton/0000-0003-4751-2727; Chapman, Henry/0000-0002-4655-1743; Rocha Neves Couto Maia, Filipe/0000-0002-2141-438X FU German Federal Ministry for Education and Research [05K12CH1, 05K2012]; Hamburg Ministry of Science and Research and Joachim Herz Stiftung as part of the Hamburg Initiative for Excellence in Research; Max Planck Society; Swedish Research Council; Swedish Strategic Research Foundation; Swedish Foundation for International Cooperation in Research and Higher Education; US Department of Energy, Office of Basic Energy Sciences, through the Photon Ultrafast Laser Science and Engineering (PULSE) Institute at the Stanford Linear Accelerator Center (SLAC); US Department of Energy through Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; UCOP Lab Fee Program [118036]; US National Science Foundation [MCB-1021557, MCB-1120997]; National Institute of Health [1R01GM095583] FX We thank Thomas Barends, Nadia Zatsepin, Haiguang Liu, Cornelius Gati, Kenneth Beyerlein and Shibom Basu for testing and feedback during many experiments at the LCLS. We also thank Marc Messerschmidt, Garth Williams, Amadeo Perazzo, Phillip Hart and Joseph Barrera for support with interfacing to the LCLS data and implementing CSPAD detector corrections, and Lutz Foucar for helpful discussions regarding the architecture of CASS. Data presented in this paper formed part of the data presented by Boutet et al. (2012). These data were collected in February 2011 at the Linac Coherent Light Source (LCLS), a national user facility operated by Stanford University on behalf of the US Department of Energy, Office of Basic Energy Sciences, and are available from the CXI database (http://cxidb.org/). GPCR data were provided courtesy of V. Cherezov and E. Xu. Experiments that led to the development of this software were performed by a large collaboration and were supported by the following agencies: the German Federal Ministry for Education and Research (grants 05K12CH1 and 05K2012); the Hamburg Ministry of Science and Research and Joachim Herz Stiftung as part of the Hamburg Initiative for Excellence in Research; the Max Planck Society, the Swedish Research Council; the Swedish Strategic Research Foundation; the Swedish Foundation for International Cooperation in Research and Higher Education; the US Department of Energy, Office of Basic Energy Sciences, through the Photon Ultrafast Laser Science and Engineering (PULSE) Institute at the Stanford Linear Accelerator Center (SLAC); the US Department of Energy through Lawrence Livermore National Laboratory under the contract DE-AC52-07NA27344 and supported by the UCOP Lab Fee Program (award No. 118036); the US National Science Foundation (award MCB-1021557 and MCB-1120997); and the National Institute of Health (award 1R01GM095583). NR 17 TC 68 Z9 70 U1 2 U2 29 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8898 EI 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2014 VL 47 BP 1118 EP 1131 DI 10.1107/S1600576714007626 PN 3 PG 14 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA AI3DE UT WOS:000336738500032 PM 24904246 ER PT J AU McNamara, BK Buck, EC Soderquist, CZ Smith, FN Mausolf, EJ Scheele, RD AF McNamara, Bruce K. Buck, Edgar C. Soderquist, Chuck Z. Smith, Frances N. Mausolf, Edward J. Scheele, Randall D. TI Separation of metallic residues from the dissolution of a high-burnup BWR fuel using nitrogen trifluoride SO JOURNAL OF FLUORINE CHEMISTRY LA English DT Article DE Noble metal phase; 5-Metal phase; White inclusions; Nitrogen trifluoride; Fluoride volatility; Platinum metals ID SPENT NUCLEAR-FUEL; VALUE FISSION PLATINOIDS; IRRADIATED OXIDE FUELS; THERMAL NF3; PWR FUEL; RUTHENIUM; PALLADIUM; HEXAFLUORIDE; PRODUCTS; RECOVERY AB Nitrogen trifluoride (NF3) was used to fluorinate the metallic residue from the dissolution of a high burnup, boiling water reactor fuel (similar to 70 MWd/kgU). The washed residue included the noble-metal phase (containing ruthenium, rhodium, palladium, technetium, and molybdenum), smaller amounts of zirconium, selenium, tellurium, and silver, along with trace quantities of plutonium, uranium, cesium, cobalt, europium, and americium, likely as their oxides. Exposing the noble metal phase to 10% NF3 in argon, between 400 and 550 degrees C, removed molybdenum and technetium near 400 degrees C as their volatile fluorides, and ruthenium near 500 degrees C as its volatile fluoride. The events were thermally and temporally distinct and the conditions specified provide a recipe to separate these transition metals from each other and from the nonvolatile residue. Depletion of the volatile fluorides resulted in substantial exothermicity. Thermal excursion behavior was recorded with the thermal gravimetric instrument operated in a non-adiabatic, isothermal mode; conditions that typically minimize heat release. Physical characterization of the noble-metal phase and its thermal behavior are consistent with high kinetic velocity reactions encouraged by the nanoparticulate phase or perhaps catalytic influences of the mixed platinum metals with nearly pure phase structure. Post-fluorination, only two products were present in the residual nonvolatile fraction. These were identified as a nano-crystalline, metallic palladium cubic phase and a hexagonal rhodium trifluoride (RhF3) phase. The two phases were distinct as the sub-p,m crystallites of metallic palladium were in contrast to the RhF3 phase, which grew from the parent, nano-crystalline noble-metal phase during fluorination, to acicular crystals exceeding 20-mu m in length. (C) 2014 Published by Elsevier B.V. C1 [McNamara, Bruce K.; Buck, Edgar C.; Soderquist, Chuck Z.; Smith, Frances N.; Mausolf, Edward J.; Scheele, Randall D.] Pacific NW Natl Lab, Energy & Environm Directorate, Nucl Chem & Engn Grp, Richland, WA 99352 USA. RP McNamara, BK (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Nucl Chem & Engn Grp, Richland, WA 99352 USA. EM bruce.mcnamara@pnnl.gov RI Buck, Edgar/N-7820-2013 OI Buck, Edgar/0000-0001-5101-9084 FU United States Department of Energy (DOE) [DE-AC05-76RL01830]; DOE-Nuclear Energy's Fuel Cycle Research and Development Program; PNNL's Sustained Nuclear Power Initiative FX The work described in this article was performed by Pacific Northwest National Laboratory (PNNL), which is operated by Battelle for the United States Department of Energy (DOE) under Contract DE-AC05-76RL01830. The DOE-Nuclear Energy's Fuel Cycle Research and Development Program and PNNL's Sustained Nuclear Power Initiative funded our efforts. We would like to thank J. Crum, D. Strachan, A. Rohatgi, and M. Zumhoff for providing us with a sample of their surrogate epsilon metal phase and to A. Kozelisky for her thermoanalysis of the product. NR 41 TC 4 Z9 4 U1 1 U2 15 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0022-1139 EI 1873-3328 J9 J FLUORINE CHEM JI J. Fluor. Chem. PD JUN PY 2014 VL 162 BP 1 EP 8 DI 10.1016/j.jfluchem.2014.02.010 PG 8 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA AI4HT UT WOS:000336827000001 ER PT J AU Wehrl, HF Wiehr, S Divine, MR Gatidis, S Gullberg, GT Maier, FC Rolle, AM Schwenck, J Thaiss, WM Pichler, BJ AF Wehrl, Hans F. Wiehr, Stefan Divine, Mathew R. Gatidis, Sergios Gullberg, Grant T. Maier, Florian C. Rolle, Anna-Maria Schwenck, Johannes Thaiss, Wolfgang M. Pichler, Bernd J. TI Preclinical and Translational PET/MR Imaging SO JOURNAL OF NUCLEAR MEDICINE LA English DT Article DE PET/MRI; oncology; cardiology; neurology; connectomics ID POSITRON-EMISSION-TOMOGRAPHY; AMYLOID-BETA PET; ALZHEIMERS-DISEASE; INITIAL EXPERIENCES; HYPOTHETICAL MODEL; DYNAMIC BIOMARKERS; NEXT-GENERATION; BRAIN-FUNCTION; RESTING STATE; DEFAULT MODE AB Combined PET and MR imaging (PET/MR imaging) has progressed tremendously in recent years. The focus of current research has shifted from technologic challenges to the application of this new multimodal imaging technology in the areas of oncology, cardiology, neurology, and infectious diseases. This article reviews studies in preclinical and clinical translation. The common theme of these initial results is the complementary nature of combined PET/MR imaging that often provides additional insights into biologic systems that were not clearly feasible with just one modality alone. However, in vivo findings require ex vivo validation. Combined PET/MR imaging also triggers a multitude of new developments in image analysis that are aimed at merging and using multimodal information that ranges from better tumor characterization to analysis of metabolic brain networks. The combination of connectomics information that maps brain networks derived from multiparametric MR data with metabolic information from PET can even lead to the formation of a new research field that we would call cometomics that would map functional and metabolic brain networks. These new methodologic developments also call for more multidisciplinarity in the field of molecular imaging, in which close interaction and training among clinicians and a variety of scientists is needed. C1 [Wehrl, Hans F.; Wiehr, Stefan; Divine, Mathew R.; Maier, Florian C.; Rolle, Anna-Maria; Schwenck, Johannes; Thaiss, Wolfgang M.; Pichler, Bernd J.] Univ Tubingen, Dept Preclin Imaging & Radiopharm, Werner Siemens Imaging Ctr, D-72076 Tubingen, Germany. [Gatidis, Sergios; Thaiss, Wolfgang M.] Univ Tubingen, Dept Diagnost & Intervent Radiol, D-72076 Tubingen, Germany. [Gullberg, Grant T.] Ernest Orlando Lawrence Berkeley Natl Lab, Dept Radiotracer Dev & Imaging Technol, Berkeley, CA USA. [Gullberg, Grant T.] Univ Calif San Francisco, Dept Radiol & Biomed Imaging, San Francisco, CA 94143 USA. [Schwenck, Johannes] Univ Tubingen, Dept Nucl Med, D-72076 Tubingen, Germany. RP Wehrl, HF (reprint author), Univ Tubingen, Dept Preclin Imaging & Radiopharm, Werner Siemens Imaging Ctr, Rontgenweg 13, D-72076 Tubingen, Germany. EM hans.wehrl@med.uni-tuebingen.de RI Pichler, Bernd/B-4483-2012 FU German Research Foundation [DFG PI 771-1, DFG PI 771-3, DFG WI 3777/1-1]; Germany Ministry for Education and Research (BMBF); Siemens Foundation; Wilhelm Schuler Foundation; Tuebingen IZKF junior research group program; EU; National Institutes of Health [R01 EB07219] FX This work was supported by grants from the German Research Foundation (DFG PI 771-1, DFG PI 771-3, DFG WI 3777/1-1), Germany Ministry for Education and Research (BMBF), Werner Siemens Foundation, Wilhelm Schuler Foundation, Tuebingen IZKF junior research group program (Functional and Metabolic Brain Imaging), EU grant FP 7 MATHIAS project, and the National Institutes of Health (R01 EB07219). No other potential conflict of interest relevant to this article was reported. NR 77 TC 20 Z9 20 U1 0 U2 9 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD JUN PY 2014 VL 55 SU 2 BP 11S EP 18S DI 10.2967/jnumed.113.129221 PG 8 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA AI4IX UT WOS:000336830000003 PM 24833493 ER PT J AU Aynajian, P Neto, EHD Zhou, BB Misra, S Baumbach, RE Fisk, Z Mydosh, J Thompson, JD Bauer, ED Yazdani, A AF Aynajian, Pegor da Silva Neto, Eduardo H. Zhou, Brian B. Misra, Shashank Baumbach, Ryan E. Fisk, Zachary Mydosh, John Thompson, Joe D. Bauer, Eric D. Yazdani, Ali TI Visualizing Heavy Fermion Formation and their Unconventional Superconductivity in f-Electron Materials SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article ID QUANTUM PHASE-TRANSITIONS; KONDO-LATTICE; HIDDEN ORDER; CECOIN5; URU2SI2; MAGNETISM; CERHIN5; METALS; STATES; BI2SR2CACU2O8+DELTA AB In solids containing elements with f-orbitals, the interaction between f-electron spins and those of itinerant electrons leads to the development of low-energy fermionic excitations with a heavy effective mass. These excitations are fundamental to the appearance of unconventional superconductivity observed in actinide-and lanthanide-based compounds. We use spectroscopic mapping with the scanning tunneling microscope to detect the emergence of heavy excitations with lowering of temperature in Ce- and U-based heavy fermion compounds. We demonstrate the sensitivity of the tunneling process to the composite nature of these heavy quasiparticles, which arises from quantum entanglement of itinerant conduction and f-electrons. Scattering and interference of the composite quasiparticles is used in the Ce-based compounds to resolve their energy-momentum structure and to extract their mass enhancement, which develops with decreasing temperature. Finally, by extending these techniques to much lower temperatures, we investigate how superconductivity, with a nodal d-wave character, develops within a strongly correlated band of composite excitations. C1 [Aynajian, Pegor; da Silva Neto, Eduardo H.; Zhou, Brian B.; Misra, Shashank; Yazdani, Ali] Princeton Univ, Joseph Henry Labs, Princeton, NJ 08544 USA. [Aynajian, Pegor; da Silva Neto, Eduardo H.; Zhou, Brian B.; Misra, Shashank; Yazdani, Ali] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Baumbach, Ryan E.; Thompson, Joe D.; Bauer, Eric D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Fisk, Zachary] Univ Calif Irvine, Irvine, CA 92697 USA. [Mydosh, John] Leiden Univ, Kamerlingh Onnes Lab, NL-2300 RA Leiden, Netherlands. RP Aynajian, P (reprint author), SUNY Binghamton, Dept Phys Appl Phys & Astron, Binghamton, NY 13902 USA. EM yazdani@princeton.edu OI Bauer, Eric/0000-0003-0017-1937 FU DOE-BES; NSF-DMR [1104612]; NSF-MRSEC program through Princeton Center for Complex Materials [DMR-0819860]; Wendy and Eric Schmidt Transformative Fund; W. M. Keck Foundation; Princeton Center for Complex Materials - National Science Foundation MRSEC program; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering; [NSF-DMR-0801253] FX We gratefully acknowledge discussions with P. W. Anderson, E. Abrahams, P. Coleman, N. Curro, D. Pines, D. Morr, T. Senthil, S. Sachdev, M. Vojta, and C. Varma. The work at Princeton was primarily supported by a grant from DOE-BES. The instrumentation and infrastructure at the Princeton Nanoscale Microscopy Laboratory used for this work were also supported by grants from NSF-DMR 1104612, the NSF-MRSEC program through Princeton Center for Complex Materials (DMR-0819860), the Wendy and Eric Schmidt Transformative Fund, and the W. M. Keck Foundation. P.A. acknowledges postdoctoral fellowship support through the Princeton Center for Complex Materials funded by the National Science Foundation MRSEC program. Work at Los Alamos was performed under the auspices of the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering. Z.F. acknowledges support from NSF-DMR-0801253. NR 45 TC 4 Z9 4 U1 1 U2 25 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 JUN PY 2014 VL 83 IS 6 AR 061008 DI 10.7566/JPSJ.83.061008 PG 10 WC Physics, Multidisciplinary SC Physics GA AI3BK UT WOS:000336733300009 ER PT J AU Wirth, S Prots, Y Wedel, M Ernst, S Kirchner, S Fisk, Z Thompson, JD Steglich, F Grin, Y AF Wirth, Steffen Prots, Yurii Wedel, Michael Ernst, Stefan Kirchner, Stefan Fisk, Zachary Thompson, Joe D. Steglich, Frank Grin, Yuri TI Structural Investigations of CeIrIn5 and CeCoIn5 on Macroscopic and Atomic Length Scales SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTORS; RESOLUTION ELECTRON-MICROSCOPY; QUANTUM PHASE-TRANSITIONS; HEAVY-FERMION METAL; UNCONVENTIONAL SUPERCONDUCTIVITY; KONDO-LATTICE; PSEUDOGAP; CERHIN5; ANTIFERROMAGNETISM; CRITICALITY AB For any thorough investigation of complex physical properties, as encountered in strongly correlated electron systems, not only single crystals of highest quality but also a detailed knowledge of the structural properties of the material are pivotal prerequisites. Here, we combine physical and chemical investigations on the prototypical heavy fermion superconductors CeIrIn5 and CeCoIn5 on atomic and macroscopic length scale to gain insight into their precise structural properties. Our approach spans from enhanced resolution X-ray diffraction experiments to atomic resolution by means of scanning tunneling microscopy (STM) and reveal a certain type of local features (coexistence of minority and majority structural patterns) in the tetragonal HoCoGa5-type structure of both compounds. C1 [Wirth, Steffen; Prots, Yurii; Wedel, Michael; Ernst, Stefan; Kirchner, Stefan; Steglich, Frank; Grin, Yuri] Max Planck Inst Chem Phys Fester Stoffe, D-01187 Dresden, Germany. [Kirchner, Stefan] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany. [Fisk, Zachary] Univ Calif Irvine, Irvine, CA 92697 USA. [Thompson, Joe D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Wirth, S (reprint author), Max Planck Inst Chem Phys Fester Stoffe, Nothnitzer Str 40, D-01187 Dresden, Germany. FU German Research Foundation through DFG Forschergruppe 960; US DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; [NSF-DMR-0801253] FX This work is partially supported by the German Research Foundation through DFG Forschergruppe 960. Z.F. acknowledges support through NSF-DMR-0801253. Work at Los Alamos was performed under the auspices of the US DOE, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. NR 68 TC 5 Z9 5 U1 5 U2 33 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 JUN PY 2014 VL 83 IS 6 AR 061009 DI 10.7566/JPSJ.83.061009 PG 8 WC Physics, Multidisciplinary SC Physics GA AI3BK UT WOS:000336733300010 ER PT J AU Pieri, MM Mortonson, MJ Frank, S Crighton, N Weinberg, DH Lee, KG Noterdaeme, P Bailey, S Busca, N Ge, J Kirkby, D Lundgren, B Mathur, S Paris, I Palanque-Delabrouille, N Petitjean, P Rich, J Ross, NP Schneider, DP York, DG AF Pieri, Matthew M. Mortonson, Michael J. Frank, Stephan Crighton, Neil Weinberg, David H. Lee, Khee-Gan Noterdaeme, Pasquier Bailey, Stephen Busca, Nicolas Ge, Jian Kirkby, David Lundgren, Britt Mathur, Smita Paris, Isabelle Palanque-Delabrouille, Nathalie Petitjean, Patrick Rich, James Ross, Nicholas P. Schneider, Donald P. York, Donald G. TI Probing the circumgalactic medium at high-redshift using composite BOSS spectra of strong Lyman alpha forest absorbers SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: evolution; galaxies: formation; galaxies: high-redshift; intergalactic medium; quasars: absorption lines ID DIGITAL SKY SURVEY; OSCILLATION SPECTROSCOPIC SURVEY; STAR-FORMATION HISTORY; DATA RELEASE 9; SIMILAR-TO 3; ANISOTROPIC GALACTIC OUTFLOWS; BARYONIC STRUCTURE SURVEY; WEAK MGII ABSORBERS; 9TH DATA RELEASE; INTERGALACTIC MEDIUM AB We present composite spectra constructed from a sample of 242 150 Lyman alpha (Ly alpha) forest absorbers at redshifts 2.4 < z < 3.1 identified in quasar spectra from the Baryon Oscillation Spectroscopic Survey (BOSS) as part of Data Release 9 of the Sloan Digital Sky Survey III. We select forest absorbers by their flux in bins 138 km s(-1) wide (approximately the size of the BOSS resolution element). We split these absorbers into five samples spanning the range of flux -0.05 <= F < 0.45. Tests on a smaller set of high-resolution spectra show that our three strongest absorption samples would probe circumgalactic regions (projected separation < 300 proper kpc and |Delta v| < 300 km s(-1)) in about 60 per cent of cases for very high signal-to-noise ratio. Within this subset, weakening Ly alpha absorption is associated with decreasing purity of circumgalactic selection once BOSS noise is included. Our weaker two Ly alpha absorption samples are dominated by the intergalactic medium. We present composite spectra of these samples and a catalogue of measured absorption features from H i and 13 metal ionization species, all of which we make available to the community. We compare measurements of seven Lyman series transitions in our composite spectra to single line models and obtain further constraints from their associated excess Lyman limit opacity. This analysis provides results consistent with column densities over the range 14.4 less than or similar to log(N-HI) less than or similar to 16.45. We compare our measurements of metal absorption to a variety of simple single-line, single-phase models for a preliminary interpretation. Our results imply clumping on scales down to similar to 30 pc and near-solar metallicities in the circumgalactic samples, while high-ionization metal absorption consistent with typical IGM densities and metallicities is visible in all samples. C1 [Pieri, Matthew M.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Pieri, Matthew M.] Univ Colorado, Dept Astrophys & Planetary Sci, CASA, Boulder, CO 80309 USA. [Mortonson, Michael J.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Mortonson, Michael J.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Mortonson, Michael J.; Bailey, Stephen; Ross, Nicholas P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Frank, Stephan; Weinberg, David H.; Mathur, Smita] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Frank, Stephan; Weinberg, David H.; Mathur, Smita] Ohio State Univ, CCAPP, Columbus, OH 43210 USA. [Crighton, Neil] Swinburne Univ Technol, Ctr Astrophys & Supercomp, Hawthorn, Vic 3122, Australia. [Crighton, Neil; Lee, Khee-Gan] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Noterdaeme, Pasquier; Petitjean, Patrick] UPMC, CNRS, UMR 7095, Inst Astrophys Paris, F-75014 Paris, France. [Busca, Nicolas] Univ Paris 07, CNRS, IN2P3, Observ Paris,CEA,APC, Paris, France. [Ge, Jian] Univ Florida, Dept Astron, Bryant Space Sci Ctr 211, Gainesville, FL 32611 USA. [Kirkby, David] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Lundgren, Britt] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. [Paris, Isabelle] Univ Chile, Dept Astron, Santiago, Chile. [Palanque-Delabrouille, Nathalie; Rich, James] CEA, Ctr Saclay, IRFU, F-91191 Gif Sur Yvette, France. [Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [York, Donald G.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60615 USA. [York, Donald G.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60615 USA. RP Pieri, MM (reprint author), Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg, Portsmouth PO1 3FX, Hants, England. EM matthew.pieri@port.ac.uk OI Kirkby, David/0000-0002-8828-5463 FU European Union [PIIF-GA-2011-301665]; NASA [NNX12AG71G]; CCAPP at Ohio State; NSF [AST-1009505]; NASA ATP [NNX10AJ95G]; Alfred P. Sloan Foundation; National Science Foundation; U.S. Department of Energy Office of Science; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; University of Cambridge; Carnegie Mellon University; University of Florida; French Participation Group; German Participation Group; Harvard University; Instituto de Astrofisica de Canarias; Michigan State/Notre Dame/JINA Participation Group; Johns Hopkins University; Lawrence Berkeley National Laboratory; Max Planck Institute for Astrophysics; Max Planck Institute for Extraterrestrial Physics; New Mexico State University; New York University; Ohio State University; Pennsylvania State University; University of Portsmouth; Princeton University; Spanish Participation Group; University of Tokyo; University of Utah; Vanderbilt University; University of Virginia University of Washington; Yale University FX The research leading to these results has received funding from the European Union Seventh Framework Programme (FP7/2007-2013) under grant agreement n [PIIF-GA-2011-301665]. MM was partially supported by NASA grant NNX12AG71G and CCAPP at Ohio State. DW acknowledges support of NSF Grant AST-1009505 and NASA ATP grant NNX10AJ95G.; Funding for SDSS-III has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, and the U.S. Department of Energy Office of Science. The SDSS-III web site is http://www.sdss3.org/. SDSS-III is managed by the Astrophysical Research Consortium for the Participating Institutions of the SDSS-III Collaboration including the University of Arizona, the Brazilian Participation Group, Brookhaven National Laboratory, University of Cambridge, Carnegie Mellon University, University of Florida, the French Participation Group, the German Participation Group, Harvard University, the Instituto de Astrofisica de Canarias, the Michigan State/Notre Dame/JINA Participation Group, Johns Hopkins University, Lawrence Berkeley National Laboratory, Max Planck Institute for Astrophysics, Max Planck Institute for Extraterrestrial Physics, New Mexico State University, New York University, Ohio State University, Pennsylvania State University, University of Portsmouth, Princeton University, the Spanish Participation Group, University of Tokyo, University of Utah, Vanderbilt University, University of Virginia University of Washington, and Yale University. NR 89 TC 14 Z9 14 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 JUN PY 2014 VL 441 IS 2 BP 1718 EP 1740 DI 10.1093/mnras/stu577 PG 23 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH9WC UT WOS:000336494800060 ER PT J AU Jansson, JK Tas, N AF Jansson, Janet K. Tas, Neslihan TI The microbial ecology of permafrost SO NATURE REVIEWS MICROBIOLOGY LA English DT Review ID PSYCHROBACTER-ARCTICUS 273-4; SPORE-FORMING BACTERIUM; NORTHERN VICTORIA LAND; POLAR YEAR 2007-2009; SP-NOV.; SIBERIAN PERMAFROST; LOW-TEMPERATURE; METHANOGENIC ARCHAEON; ANTARCTIC PERMAFROST; SUBZERO TEMPERATURES AB Permafrost constitutes a major portion of the terrestrial cryosphere of the Earth and is a unique ecological niche for cold-adapted microorganisms. There is a relatively high microbial diversity in permafrost, although there is some variation in community composition across different permafrost features and between sites. Some microorganisms are even active at subzero temperatures in permafrost. An emerging concern is the impact of climate change and the possibility of subsequent permafrost thaw promoting microbial activity in permafrost, resulting in increased potential for greenhouse-gas emissions. This Review describes new data on the microbial ecology of permafrost and provides a platform for understanding microbial life strategies in frozen soil as well as the impact of climate change on permafrost microorganisms and their functional roles. C1 [Jansson, Janet K.; Tas, Neslihan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Ecol, Div Earth Sci, Berkeley, CA 94720 USA. [Jansson, Janet K.] JGI, Walnut Creek, CA 94598 USA. [Jansson, Janet K.] Joint BioEnergy Inst JBEI, Emeryville, CA 94608 USA. [Jansson, Janet K.] Univ Copenhagen, Danish Ctr Permafrost CENPERM, DK-1350 Copenhagen, Denmark. [Jansson, Janet K.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. RP Jansson, JK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Ecol, Div Earth Sci, One Cyclotron Rd,MS 70A-3317, Berkeley, CA 94720 USA. EM jrjansson@lbl.gov RI Tas, Neslihan/D-1172-2015 FU US Department of Energy (DOE) [DE-AC02-05CH11231]; DOE-Next Generation Ecosystem Experiment (NGEE-Arctic); Danish Center for Permafrost (CENPERM) FX This manuscript is dedicated to the late David Gilichinsky for his research on permafrost microbiology. This work was supported by US Department of Energy (DOE) contract DE-AC02-05CH11231 to Lawrence Berkeley National Laboratory (LBNL), University of California, USA. The authors acknowledge financial support from the DOE-Next Generation Ecosystem Experiment (NGEE-Arctic) and the Danish Center for Permafrost (CENPERM). The authors thank L. Ovreas, University of Bergen, Norway, for critical reading of the manuscript NR 115 TC 44 Z9 44 U1 22 U2 172 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1740-1526 EI 1740-1534 J9 NAT REV MICROBIOL JI Nat. Rev. Microbiol. PD JUN PY 2014 VL 12 IS 6 BP 414 EP 425 DI 10.1038/nrmicro3262 PG 12 WC Microbiology SC Microbiology GA AI1VP UT WOS:000336643600010 PM 24814065 ER PT J AU Griffies, SM Yin, JJ Durack, PJ Goddard, P Bates, SC Behrens, E Bentsen, M Bi, DH Biastoch, A Boning, CW Bozec, A Chassignet, E Danabasoglu, G Danilov, S Domingues, CM Drange, H Farneti, R Fernandez, E Greatbatch, RJ Holland, DM Ilicak, M Large, WG Lorbacher, K Lu, JH Marsland, SJ Mishra, A Nurser, AJG Melia, DSY Palter, JB Samuels, BL Schroter, J Schwarzkopf, FU Sidorenko, D Treguier, AM Tseng, YH Tsujino, H Uotila, P Valcke, S Voldoire, A Wang, Q Winton, M Zhang, XB AF Griffies, Stephen M. Yin, Jianjun Durack, Paul J. Goddard, Paul Bates, Susan C. Behrens, Erik Bentsen, Mats Bi, Daohua Biastoch, Arne Boening, Claus W. Bozec, Alexandra Chassignet, Eric Danabasoglu, Gokhan Danilov, Sergey Domingues, Catia M. Drange, Helge Farneti, Riccardo Fernandez, Elodie Greatbatch, Richard J. Holland, David M. Ilicak, Mehmet Large, William G. Lorbacher, Katja Lu, Jianhua Marsland, Simon J. Mishra, Akhilesh Nurser, A. J. George Salas y Melia, David Palter, Jaime B. Samuels, Bonita L. Schroeter, Jens Schwarzkopf, Franziska U. Sidorenko, Dmitry Treguier, Anne Marie Tseng, Yu-heng Tsujino, Hiroyuki Uotila, Petteri Valcke, Sophie Voldoire, Aurore Wang, Qiang Winton, Michael Zhang, Xuebin TI An assessment of global and regional sea level for years 1993-2007 in a suite of interannual CORE-II simulations SO OCEAN MODELLING LA English DT Article DE Sea level; CORE global ocean-ice simulations; Steric sea level; Global sea level; Ocean heat content ID NORTH-ATLANTIC OCEAN; GENERAL-CIRCULATION MODELS; FREE-SURFACE METHOD; HEAT-CONTENT; PART I; THERMOHALINE CIRCULATION; CYCLE INTENSIFICATION; ATMOSPHERE MODEL; CLIMATE MODELS; UNITED-STATES AB We provide an assessment of sea level simulated in a suite of global ocean-sea ice models using the interannual CORE atmospheric state to determine surface ocean boundary buoyancy and momentum fluxes. These CORE-II simulations are compared amongst themselves as well as to observation-based estimates. We focus on the final 15 years of the simulations (1993-2007), as this is a period where the CORE-II atmospheric state is well sampled, and it allows us to compare sea level related fields to both satellite and in situ analyses. The ensemble mean of the CORE-II simulations broadly agree with various global and regional observation-based analyses during this period, though with the global mean thermosteric sea level rise biased low relative to observation-based analyses. The simulations reveal a positive trend in dynamic sea level in the west Pacific and negative trend in the east, with this trend arising from wind shifts and regional changes in upper 700 m ocean heat content. The models also exhibit a thermosteric sea level rise in the subpolar North Atlantic associated with a transition around 1995/1996 of the North Atlantic Oscillation to its negative phase, and the advection of warm subtropical waters into the subpolar gyre. Sea level trends are predominantly associated with steric trends, with thermosteric effects generally far larger than halosteric effects, except in the Arctic and North Atlantic. There is a general anticorrelation between thermosteric and halosteric effects for much of the World Ocean, associated with density compensated changes. Published by Elsevier Ltd. C1 [Griffies, Stephen M.; Samuels, Bonita L.; Winton, Michael] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ 08540 USA. [Yin, Jianjun; Goddard, Paul] Univ Arizona, Dept Geosci, Tucson, AZ 85721 USA. [Durack, Paul J.] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA USA. [Bates, Susan C.; Danabasoglu, Gokhan; Large, William G.; Tseng, Yu-heng] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Behrens, Erik; Biastoch, Arne; Boening, Claus W.; Greatbatch, Richard J.; Schwarzkopf, Franziska U.] GEOMAR Helmholtz Ctr Ocean Res Kiel, Kiel, Germany. [Bentsen, Mats; Ilicak, Mehmet] Uni Res Ltd, Uni Climate, Bergen, Norway. [Bi, Daohua; Lorbacher, Katja; Marsland, Simon J.; Uotila, Petteri] CSIRO, Ctr Australian Weather & Climate Res, Melbourne, Vic, Australia. [Bozec, Alexandra; Chassignet, Eric; Lu, Jianhua; Mishra, Akhilesh] Florida State Univ, Ctr Ocean Atmospher Predict Studies, Tallahassee, FL 32306 USA. [Danilov, Sergey; Schroeter, Jens; Sidorenko, Dmitry; Wang, Qiang] Alfred Wegener Inst AWI Polar & Marine Res, Bremerhaven, Germany. [Domingues, Catia M.] Univ Tasmania, Antarctic Climate & Ecosyst Cooperat Res Ctr, Hobart, Tas, Australia. [Drange, Helge] Univ Bergen, Bergen, Norway. [Farneti, Riccardo] Abdus Salaam Int Ctr Theoret Phys, Trieste, Italy. [Fernandez, Elodie; Valcke, Sophie] CNRS INSU, URA 1875, Ctr Europeen Rech & Format Avanceen Calcul Sci, Toulouse, France. [Holland, David M.] NYU, New York, NY 10012 USA. [Nurser, A. J. George] Natl Oceanog Ctr Southampton, Southampton, Hants, England. [Salas y Melia, David; Voldoire, Aurore] Ctr Natl Rech Meteorol CNRM GAME, Toulouse, France. [Palter, Jaime B.] McGill Univ, Montreal, PQ, Canada. [Treguier, Anne Marie] CNRS Ifremer IRD UBO, UMR 6523, Lab Phys Oceans, Plouzane, France. [Tsujino, Hiroyuki] Japan Meteorol Agcy, Meteorol Res Inst, Tsukuba, Ibaraki 305, Japan. [Zhang, Xuebin] CSIRO, Ctr Australian Weather & Climate Res, Hobart, Tas, Australia. RP Griffies, SM (reprint author), NOAA, Geophys Fluid Dynam Lab, Princeton, NJ 08540 USA. EM Stephen.Griffies@noaa.gov RI Durack, Paul/A-8758-2010; Danilov, Sergey/S-6184-2016; Marsland, Simon/A-1453-2012; ILICAK, Mehmet/H-2219-2011; Domingues, Catia /A-2901-2015; Boening, Claus/B-1686-2012; Treguier, Anne Marie/B-7497-2009; Uotila, Petteri/A-1703-2012; Farneti, Riccardo/B-5183-2011; Bi, Daohua/O-4508-2015; Biastoch, Arne/B-5219-2014; Zhang, Xuebin/A-3405-2012 OI Tseng, Yu-heng/0000-0002-4816-4974; Durack, Paul/0000-0003-2835-1438; Marsland, Simon/0000-0002-5664-5276; ILICAK, Mehmet/0000-0002-4777-8835; Domingues, Catia /0000-0001-5100-4595; Boening, Claus/0000-0002-6251-5777; Treguier, Anne Marie/0000-0003-4569-845X; Uotila, Petteri/0000-0002-2939-7561; Biastoch, Arne/0000-0003-3946-4390; Zhang, Xuebin/0000-0003-1731-3524 FU US National Science Foundation; Australian Government Department of the Environment; Bureau of Meteorology; CSIRO through the Australian Climate Change Science Programme; BNP-Paribas foundation via the PRE-CLIDE project under the CNRS [30023488]; Regional and Global Climate Modeling Program of the U. S. Department of Energy Office of Science; European Commission's 7th Framework Programme [282672]; NOAA CPO [NA13OAR4310128]; NYU Abu Dhabi grant [G1204]; [DE-AC52-07NA27344] FX NCAR is sponsored by the US National Science Foundation. The ACCESS model is supported by the Australian Government Department of the Environment, the Bureau of Meteorology and CSIRO through the Australian Climate Change Science Programme. E. Fernandez was supported by the BNP-Paribas foundation via the PRE-CLIDE project under the CNRS research convention agreement 30023488. P.J. Durack was supported by the Regional and Global Climate Modeling Program of the U. S. Department of Energy Office of Science, and his research was performed at LLNL under Contract DE-AC52-07NA27344. A.M. Treguier acknowledges support of the European Commission's 7th Framework Programme, under Grant Agreement number 282672, EMBRACE project. J. Yin and P. Goddard are supported by NOAA CPO under Grant NA13OAR4310128. D. M. Holland was supported by NYU Abu Dhabi grant G1204. NR 144 TC 27 Z9 27 U1 0 U2 30 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1463-5003 EI 1463-5011 J9 OCEAN MODEL JI Ocean Model. PD JUN PY 2014 VL 78 BP 35 EP 89 DI 10.1016/j.ocemod.2014.03.004 PG 55 WC Meteorology & Atmospheric Sciences; Oceanography SC Meteorology & Atmospheric Sciences; Oceanography GA AI0DJ UT WOS:000336516100003 ER PT J AU Amugongo, SK Yao, W Jia, J Lay, YAE Dai, W Jiang, L Walsh, D Li, CS Dave, NKN Olivera, D Panganiban, B Ritchie, RO Lane, NE AF Amugongo, S. K. Yao, W. Jia, J. Lay, Y. -A. E. Dai, W. Jiang, L. Walsh, D. Li, C. -S. Dave, N. K. N. Olivera, D. Panganiban, B. Ritchie, R. O. Lane, N. E. TI Effects of sequential osteoporosis treatments on trabecular bone in adult rats with low bone mass SO OSTEOPOROSIS INTERNATIONAL LA English DT Article DE Alendronate; Mass; Microarchitecture; Ovariectomy; Parathyroid hormone; Raloxifene; Strength ID PARATHYROID-HORMONE 1-84; MICRO-COMPUTED TOMOGRAPHY; AGED OVARIECTOMIZED RATS; VERTEBRAL FRACTURE RISK; POSTMENOPAUSAL WOMEN; BISPHOSPHONATE THERAPY; ANTIRESORPTIVE AGENTS; CANCELLOUS BONE; DRUG HOLIDAY; ALENDRONATE AB We used an osteopenic adult ovariectomized (OVX) rat model to evaluate various sequential treatments for osteoporosis, using FDA-approved agents with complementary tissue-level mechanisms of action. Sequential treatment for 3 months each with alendronate (Aln), followed by PTH, followed by resumption of Aln, created the highest trabecular bone mass, best microarchitecture, and highest bone strength. Individual agents used to treat human osteoporosis reduce fracture risk by similar to 50-60 %. As agents that act with complementary mechanisms are available, sequential therapies that mix antiresorptive and anabolic agents could improve fracture risk reduction, when compared with monotherapies. We evaluated bone mass, bone microarchitecture, and bone strength in adult OVX, osteopenic rats, during different sequences of vehicle (Veh), parathyroid hormone (PTH), Aln, or raloxifene (Ral) in three 90- day treatment periods, over 9 months. Differences among groups were evaluated. The interrelationships of bone mass and microarchitecture endpoints and their relationship to bone strength were studied. Estrogen deficiency caused bone loss. OVX rats treated with Aln monotherapy had significantly better bone mass, microarchitecture, and bone strength than untreated OVX rats. Rats treated with an Aln drug holiday had bone mass and microarchitecture similar to the Aln monotherapy group but with significantly lower bone strength. PTH-treated rats had markedly higher bone endpoints, but all were lost after PTH withdrawal without follow-up treatment. Rats treated with PTH followed by Aln had better bone endpoints than those treated with Aln monotherapy, PTH monotherapy, or an Aln holiday. Rats treated initially with Aln or Ral, then switched to PTH, also had better bone endpoints, than monotherapy treatment. Rats treated with Aln, then PTH, and returned to Aln had the highest values for all endpoints. Our data indicate that antiresorptive therapy can be coupled with an anabolic agent, to produce and maintain better bone mass, microarchitecture, and strength than can be achieved with any monotherapy. C1 [Amugongo, S. K.; Yao, W.; Jia, J.; Lay, Y. -A. E.; Dai, W.; Jiang, L.; Walsh, D.; Lane, N. E.] Univ Calif Davis, Med Ctr, Ctr Musculoskeletal Hlth, Sacramento, CA 95817 USA. [Amugongo, S. K.; Yao, W.; Jia, J.; Lay, Y. -A. E.; Dai, W.; Jiang, L.; Walsh, D.; Lane, N. E.] Univ Calif Davis, Med Ctr, Dept Med, Sacramento, CA 95817 USA. [Li, C. -S.] Univ Calif Davis, Dept Publ Hlth Sci, Div Biostat, Davis, CA 95616 USA. [Dave, N. K. N.; Olivera, D.; Panganiban, B.; Ritchie, R. O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Dave, N. K. N.; Olivera, D.; Panganiban, B.; Ritchie, R. O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Lane, NE (reprint author), Univ Calif Davis, Med Ctr, Ctr Musculoskeletal Hlth, 4625 2nd Ave,Suite 1002, Sacramento, CA 95817 USA. EM nelane@ucdavis.edu RI Ritchie, Robert/A-8066-2008 OI Ritchie, Robert/0000-0002-0501-6998 FU National Institutes of Health (NIH) [R01 AR043052, 1K12HD05195801, 5K24AR048841-09]; National Center for Research Resources (NCRR), a component of the NIH and NIH Roadmap for Medical Research [UL1 RR024146]; NIH (NIH/NIDCR) [5R01 DE015633] FX This work was funded by National Institutes of Health (NIH) grants R01 AR043052, 1K12HD05195801 and 5K24AR048841-09. Statistical support was made possible by grant no. UL1 RR024146 from the National Center for Research Resources (NCRR), a component of the NIH and NIH Roadmap for Medical Research. The involvement of ROR was supported by NIH (NIH/NIDCR) under grant no. 5R01 DE015633 to the Lawrence Berkeley National Laboratory (LBNL). NR 49 TC 6 Z9 6 U1 3 U2 10 PU SPRINGER LONDON LTD PI LONDON PA 236 GRAYS INN RD, 6TH FLOOR, LONDON WC1X 8HL, ENGLAND SN 0937-941X EI 1433-2965 J9 OSTEOPOROSIS INT JI Osteoporosis Int. PD JUN PY 2014 VL 25 IS 6 BP 1735 EP 1750 DI 10.1007/s00198-014-2678-5 PG 16 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA AH8GG UT WOS:000336374400009 PM 24722767 ER PT J AU Liu, HD Tafti, DK Li, TW AF Liu, Handan Tafti, Danesh K. Li, Tingwen TI Hybrid parallelism in MFIX CFD-DEM using OpenMP SO POWDER TECHNOLOGY LA English DT Article DE Multiphase flows; Discrete element method; MFIX; OpenMP; Hybrid parallelism; Fluidized beds ID FLUIDIZED-BEDS; MODEL; PERFORMANCE; SIMULATION; SOFTWARE; BEHAVIOR; SYSTEMS; CODE; MPI AB This paper supplements previous work done by Gopalakrishnan and Tafti [21] for the parallel implementation of the Discrete Element Method (DEM) in the open source code Multiphase Flow with Interphase exchange (MFIX) for distributed memory architectures using MPI. The current study extends the parallel implementation to shared memory architectures using OpenMP making the code amenable to hybrid MPI + OpenMP computations on multicore multiprocessor architectures. The contact force computation, the drag force computation, and locating the particle in fluid cell for neighbor searches are identified to be some of the major time consuming routines and instrumented with OpenMP directives. The OpenMP instrumented code is shown to give a speedup of 7 on 8 threads in a 3D bubbling fluidized bed with 80,000 particles and 18,000 fluid cells. Furthermore, the hybrid performance of MPI + OpenMP is evaluated for a large scale CFD-DEM system of 5.12 million particles. The strong scaling analysis shows good scalability with a speed up of 185 on 256 processors (20,000 particles/processor) for hybrid versus a speed up of 138 for a standalone MPI. (C) 2014 Elsevier B.V. All rights reserved. C1 [Liu, Handan; Tafti, Danesh K.] Virginia Tech, Dept Mech Engn, Blacksburg, VA 24061 USA. [Li, Tingwen] URS Corp, Computat & Basic Sci, Natl Energy Technol Lab, Morgantown, WV 26505 USA. RP Tafti, DK (reprint author), Virginia Tech, Dept Mech Engn, Randolph Hall 114 I, Blacksburg, VA 24061 USA. EM dtafti@exchange.vt.edu NR 29 TC 8 Z9 9 U1 1 U2 25 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0032-5910 EI 1873-328X J9 POWDER TECHNOL JI Powder Technol. PD JUN PY 2014 VL 259 BP 22 EP 29 DI 10.1016/j.powtec.2014.03.047 PG 8 WC Engineering, Chemical SC Engineering GA AH9PV UT WOS:000336475200003 ER PT J AU Parsons-Moss, T Tuysuz, H Wang, D Jones, S Olive, D Nitsche, H AF Parsons-Moss, Tashi Tueysuez, Harun Wang, Deborah Jones, Stephen Olive, Daniel Nitsche, Heino TI Plutonium sorption to nanocast mesoporous carbon SO RADIOCHIMICA ACTA LA English DT Article DE Plutonium; Carbon; Mesoporous; Sorption ID ABSORPTION FINE-STRUCTURE; ACTIVATED CARBON; AQUEOUS-SOLUTIONS; STRUCTURE STANDARDS; SURFACE-CHEMISTRY; METAL-IONS; ADSORPTION; SILICA; URANIUM(VI); REDUCTION AB Nanocast ordered mesoporous carbons are attractive as sorbents because of their extremely high surface areas and large pore volumes. This paper compares Pu uptake, added as Pu(VI), to both untreated and chemically oxidized CMK-(carbon molecular sieves from KAIST) type mesoporous carbon with that to a commercial amorphous activated carbon. The CMK was synthesized via nanocasting by using cubic ordered mesoporous silica KIT-6 as a hard template, and characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), and nitrogen adsorption. A portion of the CMK was oxidized by treatment with nitric acid, and will be called OX CMK. The three carbon powders have similar particle morphology, and high BET surface areas. The activated carbon is disordered, while the CMK materials show large domains of ordered cubic mesostructure. The CMK material seems to have more oxygen-containing functional groups than the activated carbon, and the oxidation of the CMK increased the density of these groups, especially COOH, thus lowering the point of zero charge (PZC) of the material. Batch studies of all 3 materials with plutonium solutions, in a 0.1M NaClO4 matrix were performed to investigate pH dependence, sorption kinetics, Pu uptake capacities, competition with ethylenediaminetetraacetic acid (EDTA) in solution, and Pu desorption. Both CMK materials demonstrated high Pu sorption from solutions of pH 3 or greater, and the oxidized CMK also showed high sorption from pH 2 solutions. The activated carbon bound less Pu, and at a much slower rate than CMK. All other batch experiments were carried out in pH 4 solutions. The Pu uptake from low-concentration solutions was faster for the oxidized CMK than for untreated CMK, but in more concentrated samples (similar to 250 mu M Pu), the Pu uptake kinetics and apparent capacity were the same for oxidized and untreated CMK. The 23-h Pu uptake capacity of the CMK materials was measured to be at least 58 +/- 5 mg 239 Pu per g CMK carbon, compared to 12 +/- 5mg 239 Pu per g activated carbon. The presence of EDTA in solution decreased the Pu sorption to CMK. Desorption from all samples occurred in 1M HClO4, usually within 24 h. The Pu interaction with the carbon surface was also probed via X-ray absorption spectroscopy (XAS) on the Pu L-III absorption edge. Spectral fits of the X-ray absorption near-edge structure (XANES) data collected on both types of CMK samples showed that Pu(VI) was reduced to Pu(IV) at the carbon surface. The high affinity of mesoporous carbon for Pu, and the spontaneous reduction of Pu(VI) or Pu(V) to Pu(IV) at these carbon surfaces could be valuable for a variety of applications. C1 [Parsons-Moss, Tashi; Wang, Deborah; Jones, Stephen; Olive, Daniel; Nitsche, Heino] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Parsons-Moss, Tashi; Tueysuez, Harun; Wang, Deborah; Jones, Stephen; Olive, Daniel; Nitsche, Heino] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Tueysuez, Harun] Max Planck Inst Kohlenforsch, D-45470 Mulheim, Germany. RP Nitsche, H (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM HNitsche@lbl.gov OI Olive, Daniel/0000-0002-6465-4981 FU US Department of Homeland Security Academic Research Initiative program; National Nuclear Security Administration NNSC program; DOE Office of Biological and Environmental Research; National Institutes of Health; National Institute of General Medical Sciences [P41GM103393]; National Center for Research Resources [P41RR001209] FX The majority of this work was supported by the US Department of Homeland Security Academic Research Initiative program. A portion of the work was supported by the National Nuclear Security Administration NNSC program. XAS measurements were carried out at the Stanford Synchrotron Radiation Lightsource, a directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the U. S. Department of Energy Office of Science by Stanford University. The SSRL Structural Molecular Biology Program is supported by the DOE Office of Biological and Environmental Research, and by the National Institutes of Health, National Institute of General Medical Sciences ( including P41GM103393) and the National Center for Research Resources (P41RR001209). The contents of this publication are solely the responsibility of the authors and do not necessarily represent the official views of NIGMS, NCRR or NIH. All Pu preparations and batch experiments were performed at Lawrence Berkeley National Laboratory (LBNL). Mesoporous carbon synthesis and much of the characterization was done at the University of California, Berkeley. The authors would like to thank Professor Peidong Yang of UC Berkeley, who served as supervisor to Dr. Tuysuz at the time of this work. The authors would like to thank the Yang, Long, and Tilley groups of the UC Berkeley Department of Chemistry for instrument use. The authors would like to thank the anonymous reviewers for their valuable input, which led to an improved manuscript. NR 78 TC 4 Z9 4 U1 7 U2 38 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 0033-8230 J9 RADIOCHIM ACTA JI Radiochim. Acta PD JUN PY 2014 VL 102 IS 6 BP 489 EP 504 DI 10.1515/ract-2014-2138 PG 16 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AI3DS UT WOS:000336740300004 ER PT J AU Wilson, RE AF Wilson, Richard E. TI Retrieval and purification of an aged Pa-231 source from its decay daughters SO RADIOCHIMICA ACTA LA English DT Article DE Actinide Chemistry; Protactinium; Separations; Alpha-Spectrometry AB The retrieval and purification of a macroscopic aged sample of protactinium-231 is described. The Pa-231 was separated from its decay daughters using a precipitation based method. The method exploits the hydrolytic behavior and insolubility of protactinium rather than attempting to avoid it by way of concentrated hydrofluoric and sulfuric acids, which have been shown to vitiate separations using ion-exchange and solvent extraction based methods. Based on alpha spectrometry the source was previously separated in 1959-1960, consistent with the Harwell Pa separations program. The method described here achieved 98% recovery of the Pa-231 with a final alpha-radiopurity of 93.75% in contrast to the 20.25% radiopurity of the starting material. C1 Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Wilson, RE (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rewilson@anl.gov RI Wilson, Richard/H-1763-2011 OI Wilson, Richard/0000-0001-8618-5680 FU United States Department of Energy, Office of Science Early Career Award program; United States Department of Energy [DE-AC02-06CH11357] FX The successful and safe execution of this work would not have been possible without the in-put and guidance of my colleagues at Argonne National Laboratory including S. Skanthakumar, John Vacca, Mark Jensen, L. Soderholm, and health physics support from John Ellsworth and Kristin Ciula. This work was funded by the United States Department of Energy, Office of Science Early Career Award program and performed at Argonne National Laboratory, operated for the United States Department of Energy, under contract number DE-AC02-06CH11357. NR 11 TC 3 Z9 3 U1 1 U2 10 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 0033-8230 J9 RADIOCHIM ACTA JI Radiochim. Acta PD JUN PY 2014 VL 102 IS 6 BP 505 EP 511 DI 10.1515/ract-2013-2169 PG 7 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AI3DS UT WOS:000336740300005 ER PT J AU Ilgu, M Fulton, DB Yennamalli, RM Lamm, MH Sen, TZ Nilsen-Hamilton, M AF Ilgu, Muslum Fulton, D. Bruce Yennamalli, Ragothaman M. Lamm, Monica H. Sen, Taner Z. Nilsen-Hamilton, Marit TI An adaptable pentaloop defines a robust neomycin-B RNA aptamer with conditional ligand-bound structures SO RNA LA English DT Article DE aminoglycoside; aptamer; structure ID IN-VITRO SELECTION; 16S RIBOSOMAL-RNA; AMINOGLYCOSIDE ANTIBIOTICS; HAMMERHEAD RIBOZYME; SMALL MOLECULES; SELF-CLEAVAGE; BINDING; INHIBITION; RECOGNITION; DYNAMICS AB Aptamers can be highly specific for their targets, which implies precise molecular recognition between aptamer and target. However, as small polymers, their structures are more subject to environmental conditions than the more constrained longer RNAs such as those that constitute the ribosome. To understand the balance between structural and environmental factors in establishing ligand specificity of aptamers, we examined the RNA aptamer (NEO1A) previously reported as specific for neomycin-B. We show that NEO1A can recognize other aminoglycosides with similar affinities as for neomycin-B and its aminoglycoside specificity is strongly influenced by ionic strength and buffer composition. NMR and 2-aminopurine (2AP) fluorescence studies of the aptamer identified a flexible pentaloop and a stable binding pocket. Consistent with a well-structured binding pocket, docking analysis results correlated with experimental measures of the binding energy for most ligands. Steady state fluorescence studies of 2AP-substituted aptamers confirmed that A16 moves to a more solvent accessible position upon ligand binding while A14 moves to a less solvent accessible position, which is most likely a base stack. Analysis of binding affinities of NEO1A sequence variants showed that the base in position 16 interacts differently with each ligand and the interaction is a function of the buffer constituents. Our results show that the pentaloop provides NEO1A with the ability to adapt to external influences on its structure, with the critical base at position 16 adjusting to incorporate each ligand into a stable pocket by hydrophobic interactions and/or hydrogen bonds depending on the ligand and the ionic environment. C1 [Ilgu, Muslum; Nilsen-Hamilton, Marit] US DOE, Ames Lab, Ames, IA 50011 USA. [Ilgu, Muslum; Fulton, D. Bruce; Nilsen-Hamilton, Marit] Iowa State Univ, Roy J Carver Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA. [Yennamalli, Ragothaman M.; Sen, Taner Z.; Nilsen-Hamilton, Marit] Iowa State Univ, Dept Genet Dev & Cell Biol, Ames, IA 50011 USA. [Lamm, Monica H.] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. RP Nilsen-Hamilton, M (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM marit@iastate.edu FU US Department of Energy, Office of Biological and Environmental Research through the Ames Laboratory; Iowa State University [DE-ACO2-07CH11358] FX This research was supported by the US Department of Energy, Office of Biological and Environmental Research through the Ames Laboratory. The Ames Laboratory is operated for the US Department of Energy by Iowa State University under Contract No. DE-ACO2-07CH11358. We thank Dr. Gulden Camci-Unal and Muneera Beach for advice and technical support in ITC use and data analysis, Dr. Yeon-Jung Seo for assistance with statistical analysis, and Dr. Tianjiao Wang and Lee Bendickson for helpful discussions and technical support. NR 43 TC 4 Z9 4 U1 6 U2 43 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 1355-8382 EI 1469-9001 J9 RNA JI RNA PD JUN PY 2014 VL 20 IS 6 BP 815 EP 824 DI 10.1261/rna.041145.113 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AI0RP UT WOS:000336557700010 PM 24757168 ER PT J AU Tarantini, C Lee, PJ Craig, N Ghosh, A Larbalestier, DC AF Tarantini, C. Lee, P. J. Craig, N. Ghosh, A. Larbalestier, D. C. TI Examination of the trade-off between intrinsic and extrinsic properties in the optimization of a modern internal tin Nb3Sn conductor SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article DE Nb3Sn; wires; structural characterization; SEM; specific heat ID CRITICAL-CURRENT DENSITY; UPPER CRITICAL-FIELD; T-C; WIRES; SN; MICROSTRUCTURE; BRONZE; MICROCHEMISTRY; GRADIENTS; HEAT AB In modern Nb3Sn wires there is a fundamental compromise to be made between optimizing the intrinsic properties associated with the superfluid density in the A15 phase (e.g. T-c, H-c, H-c2, all of which are composition dependent), maximizing the quantity of A15 that can be formed from a given mixture of Nb, Sn and Cu, minimizing the A15 composition gradients within each sub-element, while at the same time generating a high vortex pinning critical current density, J(c), by maximizing the grain boundary density with the additional constraint of maintaining the RRR of the Cu stabilizer above 100. Here we study these factors in a Ta-alloyed Restacked-Rod-Process (RRP (R)) wire with similar to 70 mu m diameter sub-elements. Consistent with many earlier studies, maximum non-Cu J(c) (12 T, 4.2 K) requires preventing A15 grain growth, rather than by optimizing the superfluid density. In wires optimized for 12 T, 4.2 K performance, about 60% of the non-Cu cross-section is A15, 35% residual Cu and Sn core, and only 5% a residual Nb-7.5 wt% Ta diffusion barrier. The specific heat and chemical analyses show that in this 60% A15 fraction there is a wide range of T-c and chemical composition that does diminish for higher heat treatment temperatures, which, however, are impractical because of the strong RRR degradation that occurs when only about 2% of the A15 reaction front breaches the diffusion barrier. As this kind of Nb3Sn conductor design is being developed for sub-elements about half the present size, it is clear that better barriers are essential to allowing higher temperature reactions with better intrinsic A15 properties. We present here multiple and detailed intrinsic and extrinsic evaluations because we believe that only such broad and quantitative descriptions are capable of accurately tracking the limitations of individual conductor designs where optimization will always be a compromise between inherently conflicting goals. C1 [Tarantini, C.; Lee, P. J.; Craig, N.; Larbalestier, D. C.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Ghosh, A.] Brookhaven Natl Lab, Magnet Div, Upton, NY 11973 USA. RP Tarantini, C (reprint author), Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. EM tarantini@asc.magnet.fsu.edu RI Larbalestier, David/B-2277-2008; OI Larbalestier, David/0000-0001-7098-7208; Lee, Peter/0000-0002-8849-8995 FU US Department of Energy (DOE) Office of High Energy Physics [DE-FG02-07ER41451]; National High Magnetic Field Laboratory - National Science Foundation [NSF/DMR-1157490]; US Department of Energy [DE-AC02-98CH10886]; State of Florida FX This work was supported by the US Department of Energy (DOE) Office of High Energy Physics under grant number DE-FG02-07ER41451, by the National High Magnetic Field Laboratory (which is supported by the National Science Foundation under NSF/DMR-1157490), and by the State of Florida. Work at BNL is supported by the US Department of Energy under Contract No. DE-AC02-98CH10886. The wire was developed under the DOE Conductor Development Program managed by Dan Dietderich of the Lawrence Berkeley National Laboratory. Many discussions with Michael Brown, Chris Segal and Zu-Hawn Sung are gratefully appreciated. NR 49 TC 10 Z9 10 U1 0 U2 16 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 JUN PY 2014 VL 27 IS 6 AR 065013 DI 10.1088/0953-2048/27/6/065013 PG 20 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AH9WD UT WOS:000336494900014 ER PT J AU Wang, Y Rutqvist, J AF Wang, Yuan Rutqvist, Jonny TI Operator matrix and non-uniqueness of Beltrami-Schaefer stress functions SO ACTA MECHANICA LA English DT Article AB Beltrami-Schaefer stress functions are general solutions of the equilibrium equations of an elastic body without body force. In this paper, the representation of the non-uniqueness of these solutions is deduced by converting the equations into operator matrix form-including an operator matrix and its generalized inverse-and then deriving the representation using linear algebra. The completeness of the representation is proved in the process. In addition, the non-uniqueness of Helmholtz's decomposition of a vector is proved. C1 [Wang, Yuan] Hohai Univ, Coll Civil & Transportat Engn, Minist Educ Geomech & Embankment Engn, Key Lab, Nanjing 210098, Jiangsu, Peoples R China. [Wang, Yuan; Rutqvist, Jonny] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Wang, Y (reprint author), Hohai Univ, Coll Civil & Transportat Engn, Minist Educ Geomech & Embankment Engn, Key Lab, Nanjing 210098, Jiangsu, Peoples R China. EM hhuwangyuan@hotmail.com RI Rutqvist, Jonny/F-4957-2015 OI Rutqvist, Jonny/0000-0002-7949-9785 FU National Natural Science Foundation [51179060]; Education Ministry Foundation of China [20110094130002]; 111 Project of China [B13024]; Program for Changjiang Scholars and Innovative Research Team in University of China [IRT1125]; US Dept. of Energy [DE-AC02-05CH11231] FX The paper was supported by the National Natural Science Foundation (No. 51179060) and the Education Ministry Foundation (No. 20110094130002) of China, and in part, supported by the 111 Project of China (No. B13024), the Program for Changjiang Scholars and Innovative Research Team in University of China (No. IRT1125) and the US Dept. of Energy under contract No. DE-AC02-05CH11231. NR 7 TC 0 Z9 0 U1 0 U2 7 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0001-5970 EI 1619-6937 J9 ACTA MECH JI Acta Mech. PD JUN PY 2014 VL 225 IS 6 BP 1761 EP 1768 DI 10.1007/s00707-013-1008-x PG 8 WC Mechanics SC Mechanics GA AH8TJ UT WOS:000336410800016 ER PT J AU Lehman, JS Carr, MH Nichol, AJ Ruisanchez, A Knight, DW Langford, AE Gray, SC Mermin, JH AF Lehman, J. Stan Carr, Meredith H. Nichol, Allison J. Ruisanchez, Alberto Knight, David W. Langford, Anne E. Gray, Simone C. Mermin, Jonathan H. TI Prevalence and Public Health Implications of State Laws that Criminalize Potential HIV Exposure in the United States SO AIDS AND BEHAVIOR LA English DT Review DE HIV prevention; HIV-specific criminal laws; Public health law research; Public health policy; Structural interventions; State laws ID PREVENTION; DISCLOSURE; TRANSMISSION; ATTITUDES; IMPACT; MEN AB For the past three decades, legislative approaches to prevent HIV transmission have been used at the national, state, and local levels. One punitive legislative approach has been enactment of laws that criminalize behaviors associated with HIV exposure (HIV-specific criminal laws). In the USA, HIV-specific criminal laws have largely been shaped by state laws. These laws impose criminal penalties on persons who know they have HIV and subsequently engage in certain behaviors, most commonly sexual activity without prior disclosure of HIV-positive serostatus. These laws have been subject to intense public debate. Using public health law research methods, data from the legal database WestlawNextA (c) were analyzed to describe the prevalence and characteristics of laws that criminalize potential HIV exposure in the 50 states (plus the District of Columbia) and to examine the implications of these laws for public health practice. The first state laws were enacted in 1986; as of 2011 a total of 67 laws had been enacted in 33 states. By 1995, nearly two-thirds of all laws had been enacted; by 2000, 85 % of laws had been enacted; and since 2000, an additional 10 laws have been enacted. Twenty-four states require persons who are aware that they have HIV to disclose their status to sexual partners and 14 states require disclosure to needle-sharing partners. Twenty-five states criminalize one or more behaviors that pose a low or negligible risk for HIV transmission. Nearly two-thirds of states in the USA have legislation that criminalizes potential HIV exposure. Many of these laws criminalize behaviors that pose low or negligible risk for HIV transmission. The majority of laws were passed before studies showed that antiretroviral therapy (ART) reduces HIV transmission risk and most laws do not account for HIV prevention measures that reduce transmission risk, such as condom use, ART, or pre-exposure prophylaxis. States with HIV-specific criminal laws are encouraged to use the findings of this paper to re-examine those laws, assess the laws' alignment with current evidence regarding HIV transmission risk, and consider whether the laws are the best vehicle to achieve their intended purposes. C1 [Lehman, J. Stan; Carr, Meredith H.; Gray, Simone C.; Mermin, Jonathan H.] Ctr Dis Control & Prevent, Div HIV AIDS Prevent, Natl Ctr HIV AIDS Viral Hepatitis STD & TB Preven, Atlanta, GA 30333 USA. [Carr, Meredith H.] ORISE, Atlanta, GA USA. [Nichol, Allison J.; Ruisanchez, Alberto; Knight, David W.; Langford, Anne E.] US Dept Justice, Civil Rights Div, Washington, DC 20530 USA. RP Lehman, JS (reprint author), Ctr Dis Control & Prevent, Div HIV AIDS Prevent, Natl Ctr HIV AIDS Viral Hepatitis STD & TB Preven, 1600 Clifton Rd,MS D21, Atlanta, GA 30333 USA. EM slehman@cdc.gov NR 33 TC 27 Z9 27 U1 1 U2 9 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1090-7165 EI 1573-3254 J9 AIDS BEHAV JI AIDS Behav. PD JUN PY 2014 VL 18 IS 6 BP 997 EP 1006 DI 10.1007/s10461-014-0724-0 PG 10 WC Public, Environmental & Occupational Health; Social Sciences, Biomedical SC Public, Environmental & Occupational Health; Biomedical Social Sciences GA AH5YF UT WOS:000336206400001 PM 24633716 ER PT J AU Lin, XJ Tfaily, MM Steinweg, M Chanton, P Esson, K Yang, ZK Chanton, JP Cooper, W Schadt, CW Kostka, JE AF Lin, Xueju Tfaily, Malak M. Steinweg, Megan Chanton, Patrick Esson, Kaitlin Yang, Zamin K. Chanton, Jeffrey P. Cooper, William Schadt, Christopher W. Kostka, Joel E. TI Microbial Community Stratification Linked to Utilization of Carbohydrates and Phosphorus Limitation in a Boreal Peatland at Marcell Experimental Forest, Minnesota, USA SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID LAKE AGASSIZ PEATLAND; CLIMATE-CHANGE; PHYLUM ACIDOBACTERIA; NORTHERN PEATLANDS; ORGANIC-CARBON; BACTERIAL COMMUNITY; METHANE PRODUCTION; MARINE-SEDIMENTS; STABLE CARBON; SOIL AB This study investigated the abundance, distribution, and composition of microbial communities at the watershed scale in a boreal peatland within the Marcell Experimental Forest (MEF), Minnesota, USA. Through a close coupling of next-generation sequencing, biogeochemistry, and advanced analytical chemistry, a biogeochemical hot spot was revealed in the mesotelm (30- to 50-cm depth) as a pronounced shift in microbial community composition in parallel with elevated peat decomposition. The relative abundance of Acidobacteria and the Syntrophobacteraceae, including known hydrocarbon-utilizing genera, was positively correlated with carbohydrate and organic acid content, showing a maximum in the mesotelm. The abundance of Archaea (primarily crenarchaeal groups 1.1c and 1.3) increased with depth, reaching up to 60% of total small-subunit (SSU) rRNA gene sequences in the deep peat below the 75-cm depth. Stable isotope geochemistry and potential rates of methane production paralleled vertical changes in methanogen community composition to indicate a predominance of acetoclastic methanogenesis mediated by the Methanosarcinales in the mesotelm, while hydrogen-utilizing methanogens predominated in the deeper catotelm. RNA-derived pyrosequence libraries corroborated DNA sequence data to indicate that the above-mentioned microbial groups are metabolically active in the mid-depth zone. Fungi showed a maximum in rRNA gene abundance above the 30-cm depth, which comprised only an average of 0.1% of total bacterial and archaeal rRNA gene abundance, indicating prokaryotic dominance. Ratios of C to P enzyme activities approached 0.5 at the acrotelm and catotelm, indicating phosphorus limitation. In contrast, P limitation pressure appeared to be relieved in the mesotelm, likely due to P solubilization by microbial production of organic acids and C-P lyases. Based on path analysis and the modeling of community spatial turnover, we hypothesize that P limitation outweighs N limitation at MEF, and microbial communities are structured by the dominant shrub, Chamaedaphne calyculata, which may act as a carbon source for major consumers in the peatland. C1 [Lin, Xueju; Chanton, Patrick; Esson, Kaitlin; Kostka, Joel E.] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. [Lin, Xueju; Chanton, Patrick; Esson, Kaitlin; Kostka, Joel E.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Tfaily, Malak M.; Chanton, Jeffrey P.] Florida State Univ, Dept Earth Ocean & Atmospher Sci, Tallahassee, FL 32306 USA. [Steinweg, Megan; Yang, Zamin K.; Schadt, Christopher W.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Cooper, William] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. [Kostka, Joel E.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Lin, XJ (reprint author), Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. EM xuejulin@gmail.com; joel.kostka@biology.gatech.edu RI Schadt, Christopher/B-7143-2008 OI Schadt, Christopher/0000-0001-8759-2448 FU Office of Biological and Environmental Research, Terrestrial Ecosystem Science Program, under U.S. DOE [DE-SC0007144]; U.S. National Science Foundation [NSF-EAR-0628349] FX This work was supported by the Office of Biological and Environmental Research, Terrestrial Ecosystem Science Program, under U.S. DOE contract number DE-SC0007144, and the U.S. National Science Foundation (NSF-EAR-0628349). NR 79 TC 16 Z9 16 U1 9 U2 100 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 JUN PY 2014 VL 80 IS 11 BP 3518 EP 3530 DI 10.1128/AEM.00205-14 PG 13 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AH3OY UT WOS:000336035200027 PM 24682300 ER PT J AU Lin, X Tfaily, MM Green, SJ Steinweg, JM Chanton, P Imvittaya, A Chanton, JP Cooper, W Schadt, C Kostka, JE AF Lin, Xueju Tfaily, Malak M. Green, Stefan J. Steinweg, J. Megan Chanton, Patrick Imvittaya, Aopeau Chanton, Jeffrey P. Cooper, William Schadt, Christopher Kostka, Joel E. TI Microbial Metabolic Potential for Carbon Degradation and Nutrient (Nitrogen and Phosphorus) Acquisition in an Ombrotrophic Peatland SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID ORGANIC PHOSPHORUS; NMR-SPECTROSCOPY; BOREAL PEATLANDS; CLIMATE-CHANGE; MICROORGANISMS; SOIL; COMMUNITIES; WETLANDS; BOG; SEQUESTRATION AB This study integrated metagenomic and nuclear magnetic resonance (NMR) spectroscopic approaches to investigate microbial metabolic potential for organic matter decomposition and nitrogen (N) and phosphorus (P) acquisition in soils of an ombrotrophic peatland in the Marcell Experimental Forest (MEF), Minnesota, USA. This analysis revealed vertical stratification in key enzymatic pathways and taxa containing these pathways. Metagenomic analyses revealed that genes encoding laccases and dioxygenases, involved in aromatic compound degradation, declined in relative abundance with depth, while the relative abundance of genes encoding metabolism of amino sugars and all four saccharide groups increased with depth in parallel with a 50% reduction in carbohydrate content. Most Cu-oxidases were closely related to genes from Proteobacteria and Acidobacteria, and type 4 laccase-like Cu-oxidase genes were >8 times more abundant than type 3 genes, suggesting an important and overlooked role for type 4 Cu-oxidase in phenolic compound degradation. Genes associated with sulfate reduction and methanogenesis were the most abundant anaerobic respiration genes in these systems, with low levels of detection observed for genes of denitrification and Fe(III) reduction. Fermentation genes increased in relative abundance with depth and were largely affiliated with Syntrophobacter. Methylocystaceae-like small-subunit (SSU) rRNA genes, pmoA, and mmoX genes were more abundant among methanotrophs. Genes encoding N-2 fixation, P uptake, and P regulons were significantly enriched in the surface peat and in comparison to other ecosystems, indicating N and P limitation. Persistence of inorganic orthophosphate throughout the peat profile in this P-limiting environment indicates that P may be bound to recalcitrant organic compounds, thus limiting P bioavailability in the subsurface. Comparative metagenomic analysis revealed a high metabolic potential for P transport and starvation, N-2 fixation, and oligosaccharide degradation at MEF relative to other wetland and soil environments, consistent with the nutrient-poor and carbohydrate-rich conditions found in this Sphagnum-dominated boreal peatland. C1 [Lin, Xueju; Chanton, Patrick; Kostka, Joel E.] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. [Lin, Xueju; Chanton, Patrick; Kostka, Joel E.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Tfaily, Malak M.; Chanton, Jeffrey P.] Florida State Univ, Dept Earth Ocean & Atmospher Sci, Tallahassee, FL 32306 USA. [Green, Stefan J.] Univ Illinois, DNA Serv Facil, Chicago, IL USA. [Steinweg, J. Megan; Schadt, Christopher] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Imvittaya, Aopeau; Cooper, William] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. RP Lin, X (reprint author), Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. EM xuejulin@gmail.com; joel.kostka@biology.gatech.edu RI Schadt, Christopher/B-7143-2008; OI Schadt, Christopher/0000-0001-8759-2448; Green, Stefan/0000-0003-2781-359X FU Office of Biological and Environmental Research, Terrestrial Ecosystem Science Program, under U.S. DOE [DE-SC0007144]; U.S. National Science Foundation [NSF-EAR-0628349] FX This work was supported by the Office of Biological and Environmental Research, Terrestrial Ecosystem Science Program, under U.S. DOE contract number DE-SC0007144, and the U.S. National Science Foundation (NSF-EAR-0628349). NR 68 TC 13 Z9 13 U1 8 U2 108 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 JUN PY 2014 VL 80 IS 11 BP 3531 EP 3540 DI 10.1128/AEM.00206-14 PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AH3OY UT WOS:000336035200028 PM 24682299 ER PT J AU De, S Timmes, FX Brown, EF Calder, AC Townsley, DM Athanassiadou, T Chamulak, DA Hawley, W Jack, D AF De, Soma Timmes, F. X. Brown, Edward F. Calder, Alan C. Townsley, Dean M. Athanassiadou, Themis Chamulak, David A. Hawley, Wendy Jack, Dennis TI ON SILICON GROUP ELEMENTS EJECTED BY SUPERNOVAE TYPE IA SO ASTROPHYSICAL JOURNAL LA English DT Article DE nuclear reactions, nucleosynthesis, abundances; supernovae: general; white dwarfs ID EVALUATING SYSTEMATIC DEPENDENCIES; HUBBLE-SPACE-TELESCOPE; WHITE-DWARF MODELS; CHANDRASEKHAR-MASS MODELS; AGE-METALLICITY RELATION; DARK-ENERGY CONSTRAINTS; X-RAY SOURCES; QUASI-EQUILIBRIUM; HOST GALAXIES; STAR-FORMATION AB There is evidence that the peak brightness of a Type Ia supernova is affected by the electron fraction Y-e at the time of the explosion. The electron fraction is set by the aboriginal composition of the white dwarf and the reactions that occur during the pre-explosive convective burning. To date, determining the makeup of the white dwarf progenitor has relied on indirect proxies, such as the average metallicity of the host stellar population. In this paper, we present analytical calculations supporting the idea that the electron fraction of the progenitor systematically influences the nucleosynthesis of silicon group ejecta in Type Ia supernovae. In particular, we suggest the abundances generated in quasi-nuclear statistical equilibrium are preserved during the subsequent freeze-out. This allows potential recovery of Y-e at explosion from the abundances recovered from an observed spectra. We show that measurement of Si-28, S-32, Ca-40, and Fe-54 abundances can be used to construct Y-e in the silicon-rich regions of the supernovae. If these four abundances are determined exactly, they are sufficient to recover Y-e to 6%. This is because these isotopes dominate the composition of silicon-rich material and iron-rich material in quasi-nuclear statistical equilibrium. Analytical analysis shows the Si-28 abundance is insensitive to Y-e, the S-32 abundance has a nearly linear trend with Y-e, and the Ca-40 abundance has a nearly quadratic trend with Y-e. We verify these trends with post-processing of one-dimensional models and show that these trends are reflected in the model's synthetic spectra. C1 [De, Soma; Timmes, F. X.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. [Timmes, F. X.; Brown, Edward F.] Univ Notre Dame, Joint Inst Nucl Astrophys, Notre Dame, IN 46556 USA. [Brown, Edward F.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Calder, Alan C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Calder, Alan C.] SUNY Stony Brook, Inst Adv Computat Sci, Stony Brook, NY 11794 USA. [Townsley, Dean M.] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Athanassiadou, Themis] Swiss Natl Supercomp Ctr, CH-6900 Lugano, Switzerland. [Chamulak, David A.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Hawley, Wendy] Lab Astrophys Marseille, F-13388 Marseille, France. [Jack, Dennis] Univ Guanajuato, Dept Astron, Guanajuato 36000, Mexico. RP De, S (reprint author), Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. EM somad@asu.edu OI Townsley, Dean/0000-0002-9538-5948; Brown, Edward/0000-0003-3806-5339 FU NSF [AST 08-06720]; NASA [NNX09AD19G]; DOE [DE-FG02-07ER41516, DE-FG02-08ER41570, DE-FG02-08ER41565, DE-FG02-87ER40317]; SESE Postdoctoral fellowship at Arizona State University; Frontier Center "Joint Institute for Nuclear Astrophysics" (JINA) [PHY 08-022648] FX We thank Friedel Thielemann for providing the initial W7 thermodynamic trajectories. We also thank the anonymous reviewer for several suggestions that significantly improved the manuscript. This work was supported by the NSF through grant AST 08-06720 (FXT) and PHY 08-022648 for the Frontier Center "Joint Institute for Nuclear Astrophysics" (JINA), by NASA through grant NNX09AD19G, and by the DOE through grants DE-FG02-07ER41516, DE-FG02-08ER41570, DE-FG02-08ER41565, and DE-FG02-87ER40317. S.D. received support from a SESE Postdoctoral fellowship at Arizona State University. NR 101 TC 5 Z9 5 U1 1 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JUN 1 PY 2014 VL 787 IS 2 AR 149 DI 10.1088/0004-637X/787/2/149 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH6ND UT WOS:000336246700054 ER PT J AU Kaurov, AA Gnedin, NY AF Kaurov, Alexander A. Gnedin, Nickolay Y. TI RECOMBINATION CLUMPING FACTOR DURING COSMIC REIONIZATION SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology: theory; dark ages, reionization, first stars; intergalactic medium; methods: analytical ID LIMIT ABSORPTION SYSTEMS; INTERGALACTIC MEDIUM; TO 7; UNIVERSE; GALAXIES; EVOLUTION; GROWTH AB We discuss the role of recombinations in the intergalactic medium, and the related concept of the clumping factor, during cosmic reionization. The clumping factor is, in general, a local quantity that depends on both the local overdensity and the scale below which the baryon density field can be assumed smooth. That scale, called the filtering scale, depends on over-density and local thermal history. We present a method for building a self-consistent analytical model of inhomogeneous reionization, assuming the linear growth rate of the density fluctuation, which simultaneously accounts for these effects. We show that taking into account the local clumping factor introduces significant corrections to the total recombination rate, compared to the model with a globally uniform clumping factor. C1 [Kaurov, Alexander A.; Gnedin, Nickolay Y.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Gnedin, Nickolay Y.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Gnedin, Nickolay Y.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Gnedin, Nickolay Y.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. RP Kaurov, AA (reprint author), Univ Chicago, Dept Astron & Astrophys, 5640 S Ellis Ave, Chicago, IL 60637 USA. EM kaurov@uchicago.edu; gnedin@fnal.gov OI Kaurov, Alexander/0000-0003-0255-1204 FU United States Department of Energy [DE-AC02-07CH11359]; NSF [AST-1211190]; NASA [NNX-09AJ54G] FX Fermilab is operated by the Fermi Research Alliance, LLC, under contract No. DE-AC02-07CH11359 with the United States Department of Energy. This work was also supported in part by the NSF grant AST-1211190 and by the NASA grant NNX-09AJ54G. This work made extensive use of the NASA Astrophysics Data System and arXiv.org preprint server. This work was done with significant usage of CosmoloPy Python package.5 NR 25 TC 10 Z9 10 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JUN 1 PY 2014 VL 787 IS 2 AR 146 DI 10.1088/0004-637X/787/2/146 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH6ND UT WOS:000336246700051 ER PT J AU Pritchard, TA Roming, PWA Brown, PJ Bayless, AJ Frey, LH AF Pritchard, T. A. Roming, P. W. A. Brown, Peter J. Bayless, Amanda J. Frey, Lucille H. TI BOLOMETRIC AND UV LIGHT CURVES OF CORE-COLLAPSE SUPERNOVAE SO ASTROPHYSICAL JOURNAL LA English DT Article DE supernovae: general; ultraviolet: general ID SWIFT ULTRAVIOLET/OPTICAL TELESCOPE; II-PLATEAU SUPERNOVAE; HUBBLE-SPACE-TELESCOPE; IA SUPERNOVAE; DUST FORMATION; X-RAY; MULTIWAVELENGTH OBSERVATIONS; PHYSICAL-PROPERTIES; MASSIVE PROGENITOR; NEBULAR PHASE AB The Swift UV-Optical Telescope (UVOT) has been observing core-collapse supernovae (CCSNe) of all subtypes in the UV and optical since 2005. Here we present 50 CCSNe observed with the Swift UVOT, analyzing their UV properties and behavior. Where we have multiple UV detections in all three UV filters (lambda(c) = 1928-2600 angstrom), we generate early time bolometric light curves, analyze the properties of these light curves and the UV contribution to them, and derive empirical corrections for the UV-flux contribution to optical-IR based bolometric light curves. C1 [Pritchard, T. A.; Roming, P. W. A.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Roming, P. W. A.; Bayless, Amanda J.] Southwest Res Inst, Dept Space Sci, San Antonio, TX 78238 USA. [Brown, Peter J.] Texas A&M Univ, George P & Cynthia Woods Mitchell Inst Fundamenta, Dept Phys & Astron, College Stn, TX 77843 USA. [Frey, Lucille H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Frey, Lucille H.] Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. RP Pritchard, TA (reprint author), Penn State Univ, Dept Astron & Astrophys, 525 Davey Lab, University Pk, PA 16802 USA. OI Frey, Lucille/0000-0002-5478-2293 FU Pennsylvania State University (PSU),; University College London/Mullard Space Science Laboratory (MSSL),; NASA/Goddard Space Flight Center.; NASA ADP [NNX12AE21G]; National Aeronautics and Space Administration. [LA-UR-13-21329.] FX We gratefully acknowledge the contributions from members of the Swift UVOT team at the Pennsylvania State University (PSU), University College London/Mullard Space Science Laboratory (MSSL), and NASA/Goddard Space Flight Center. This work is sponsored at PSU and Southwest Research Institute by the NASA ADP grant NNX12AE21G. 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. Report Number LA-UR-13-21329. NR 134 TC 14 Z9 14 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JUN 1 PY 2014 VL 787 IS 2 AR 157 DI 10.1088/0004-637X/787/2/157 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH6ND UT WOS:000336246700062 ER PT J AU Gopal, AK Gooley, TA Rajendran, JG Pagel, JM Fisher, DR Maloney, DG Appelbaum, FR Cassaday, RD Shields, A Press, OW AF Gopal, Ajay K. Gooley, Ted A. Rajendran, Joseph G. Pagel, John M. Fisher, Darrell R. Maloney, David G. Appelbaum, Frederick R. Cassaday, Ryan D. Shields, Andrew Press, Oliver W. TI Myeloablative I-131-Tositumomab with Escalating Doses of Fludarabine and Autologous Hematopoietic Transplantation for Adults Age >= 60 Years with B Cell Lymphoma SO BIOLOGY OF BLOOD AND MARROW TRANSPLANTATION LA English DT Article DE B cell lymphoma; Radioimmunotherapy; Autologous; Elderly ID NON-HODGKIN-LYMPHOMA; CHRONIC LYMPHOCYTIC-LEUKEMIA; PROGRESSION-FREE SURVIVAL; MARROW TRANSPLANTATION; GREATER-THAN-OR-EQUAL-TO-60 YEARS; YTTRIUM-90-IBRITUMOMAB TIUXETAN; ANTI-CD20 RADIOIMMUNOTHERAPY; ALLOGENEIC TRANSPLANTATION; FOLLICULAR LYMPHOMA; ELDERLY-PATIENTS AB Myeloablative therapy and autologous stem cell transplantation (ASCT) are underutilized in older patients with B cell non-Hodgkin (B-NHL) lymphoma. We hypothesized that myeloablative doses of I-131-tositumomab could be augmented by concurrent fludarabine, based on preclinical data indicating synergy. Patients were >= 60 years of age and had high-risk, relapsed, or refractory B-NHL. Therapeutic infusions of I-131-tositumomab were derived from individualized organ-specific absorbed dose estimates delivering <= 27 Gy to critical organs. Fludarabine was initiated 72 hours later followed by ASCT to define the maximally tolerated dose. Thirty-six patients with a median age of 65 years (range, 60 to 76), 2 (range, 1 to 9) prior regimens, and 33% with chemoresistant disease were treated on this trial. Dose-limiting organs included lung (30), kidney (4), and liver (2) with a median administered I-131 activity of 471 mCi (range, 260 to 1620). Fludarabine was safely escalated to 30 mg/m(2) x 7 days. Engraftment was prompt, there were no early treatment-related deaths, and 2 patients had >= grade 4 non-hematologic toxicities. The estimated 3-year overall survival, progression-free survival, and nonrelapse mortality were 54%, 53%, and 7%, respectively (median follow up of 3.9 years). Fludarabine up to 210 mg/m(2) can be safely delivered with myeloablative I-131-tositumomab and ASCT in older adults with B-NHL. (C) 2014 American Society for Blood and Marrow Transplantation. C1 [Gopal, Ajay K.; Maloney, David G.; Appelbaum, Frederick R.; Cassaday, Ryan D.; Press, Oliver W.] Univ Washington, Dept Med, Div Med Oncol, Seattle, WA 98195 USA. [Gopal, Ajay K.; Gooley, Ted A.; Pagel, John M.; Maloney, David G.; Appelbaum, Frederick R.; Cassaday, Ryan D.; Press, Oliver W.] Fred Hutchinson Canc Res Ctr, Div Clin Res, Seattle, WA 98104 USA. [Rajendran, Joseph G.; Shields, Andrew] Univ Washington, Dept Radiol, Div Nucl Med, Seattle, WA 98195 USA. [Fisher, Darrell R.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Gopal, AK (reprint author), Univ Washington, Seattle Canc Care Alliance, 825 Eastlake Ave E G3-200, Seattle, WA 98195 USA. EM agopal@u.washington.edu FU NCI [P01CA44991, R01CA076287, R01 CA138720]; Fred Hutchinson Cancer Research Center/University of Washington Cancer Consortium Cancer Center [P30 CA015704]; Lymphoma Research Foundation; Mary Aileen Wright and Frederick Kullman Memorial Funds FX Supported by NCI P01CA44991, NCI R01CA076287, NCI R01 CA138720, Fred Hutchinson Cancer Research Center/University of Washington Cancer Consortium Cancer Center Support Grant P30 CA015704, The Lymphoma Research Foundation, the Mary Aileen Wright and Frederick Kullman Memorial Funds, and gifts from Frank and Betty Vandermeer. A.K.G. is a Scholar in Clinical Research of the Leukemia and Lymphoma Society. Study drug was provided by Glaxo-Smith Kline. NR 34 TC 10 Z9 10 U1 0 U2 1 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1083-8791 EI 1523-6536 J9 BIOL BLOOD MARROW TR JI Biol. Blood Marrow Transplant. PD JUN PY 2014 VL 20 IS 6 BP 770 EP 775 DI 10.1016/j.bbmt.2014.02.004 PG 6 WC Hematology; Immunology; Transplantation SC Hematology; Immunology; Transplantation GA AH8WH UT WOS:000336418400005 PM 24530971 ER PT J AU Fagiano, C Genet, M Baranger, E Ladeveze, P AF Fagiano, C. Genet, M. Baranger, E. Ladeveze, P. TI Computational geometrical and mechanical modeling of woven ceramic composites at the mesoscale SO COMPOSITE STRUCTURES LA English DT Article DE Woven ceramic composites; Mesoscale modeling; Damage mechanics ID BRITTLE-MATRIX COMPOSITES; TEXTILE COMPOSITES; DAMAGE MECHANISMS; CRACKING; BEHAVIOR; FAILURE; PREPROCESSOR; PREDICTION; LIFETIME; TOWS AB Woven composite materials are receiving particular attention in a wide range of specialized aeronautical applications. Reliable numerical prediction tools based on computational modeling are required to quantitatively characterize the role of the microstructure and damage mechanisms at the mesoscale. In this paper, such a computational strategy is illustrated on a generic SiC/SiC plain weave composite with chemical vapor infiltrated matrix. Matrix and tows damage mechanisms are respectively introduced through the use of an anisotropic damage model, and an homogenized model based on a micromechanical model on the fiber scale. The latter is presented in this paper for the first time. Particular attention is paid to the generation of accurate hexahedral meshes, compatible at the tow-tow and tow-matrix interfaces. The mesh quality is analyzed using an error estimator variable based on the strain energy density. Damage predictions obtained using tetrahedral and hexahedral meshes are compared for basic loading cases, illustrating the need for using high quality meshes in the growing community of woven composites computational modeling. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Fagiano, C.; Genet, M.; Baranger, E.; Ladeveze, P.] Univ Paris 11, ENS Cachan CNRS UPMC PRES, LMT Cachan, F-94235 Cachan, France. [Fagiano, C.] Off Natl Etud & Rech Aerosp, French Aerosp Lab, F-92322 Chatillon, France. [Genet, M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Genet, M.] Univ Calif San Francisco, Dept Surg, San Francisco, CA 94143 USA. RP Fagiano, C (reprint author), Off Natl Etud & Rech Aerosp, French Aerosp Lab, BP 72, F-92322 Chatillon, France. EM christian.fagiano@onera.fr RI Genet, Martin/H-4247-2015 OI Genet, Martin/0000-0003-2204-201X FU project ARCOCE; COMPTINN; Division of Materials Sciences and Engineering of the U.S. Department of Energy [DE-AC02-05CH11231]; Marie Curie International Outgoing Fellowship within the 7th European Community Framework Programme FX The authors want to thank the financial support of the project ARCOCE and COMPTINN which have partially founded this study. SAFRAN Herakles is also acknowledged for its constant support. M. Genet was partly supported by the Division of Materials Sciences and Engineering of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231, and by a Marie Curie International Outgoing Fellowship within the 7th European Community Framework Programme. NR 53 TC 6 Z9 6 U1 4 U2 23 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0263-8223 EI 1879-1085 J9 COMPOS STRUCT JI Compos. Struct. PD JUN PY 2014 VL 112 BP 146 EP 156 DI 10.1016/j.compstruct.2014.01.045 PG 11 WC Materials Science, Composites SC Materials Science GA AH7WG UT WOS:000336345500013 ER PT J AU Du, Q Huang, Z Lehoucq, RB AF Du, Qiang Huang, Zhan Lehoucq, Richard B. TI NONLOCAL CONVECTION-DIFFUSION VOLUME-CONSTRAINED PROBLEMS AND JUMP PROCESSES SO DISCRETE AND CONTINUOUS DYNAMICAL SYSTEMS-SERIES B LA English DT Article DE Nonlocal; convection-diffusion; maximum principle; volume-constrained problem; master equation; Monte Carlo AB We introduce the Cauchy problem and time-dependent volumeconstrained problems associated with a linear nonlocal convection-diffusion equation. These problems are shown to be well-posed and correspond to conventional convection-diffusion equations as the region of nonlocality vanishes. The problems also share a number of features such as the maximum principle, conservation and dispersion relations, all of which are consistent with their corresponding local counterparts. Moreover, these problems are the master equations for a class of finite activity Levy-type processes with nonsymmetric Levy measure. Monte Carlo simulations and finite difference schemes are applied to these nonlocal problems, to show the effects of time, kernel, nonlocality and different volume-constraints. C1 [Du, Qiang; Huang, Zhan] Penn State Univ, Dept Math, University Pk, PA 16802 USA. [Lehoucq, Richard B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Du, Q (reprint author), Penn State Univ, Dept Math, University Pk, PA 16802 USA. EM qdu@math.psu.edu; zxh117@psu.edu; rblehou@sandia.gov FU U.S. Department of Energy [DE-5C0005346, DE-AC04-94AL85000, FWP-09-014290]; U.S. National Science Foundation [DMS-1318586]; US AFOSR MURI Center for Material Failure Prediction through Peridynamics; DOE Office of Science; Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories FX The first two authors are supported by U.S. Department of Energy grant DE-5C0005346, U.S. National Science Foundation grant DMS-1318586, and US AFOSR MURI Center for Material Failure Prediction through Peridynamics. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy under contract DE-AC04-94AL85000. The work of R.B. Lehoucq was supported in part by U.S. Department of Energy grant FWP-09-014290 through the Office of Advanced Scientific Computing Research, DOE Office of Science, and by the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories. NR 10 TC 1 Z9 1 U1 0 U2 2 PU AMER INST MATHEMATICAL SCIENCES PI SPRINGFIELD PA PO BOX 2604, SPRINGFIELD, MO 65801-2604 USA SN 1531-3492 EI 1553-524X J9 DISCRETE CONT DYN-B JI Discrete Contin. Dyn. Syst.-Ser. B PD JUN PY 2014 VL 19 IS 4 BP 961 EP 977 DI 10.3934/dcdsb.2014.19.961 PG 17 WC Mathematics, Applied SC Mathematics GA AH6PN UT WOS:000336253100003 ER PT J AU Wagner, MR Lundberg, DS Coleman-Derr, D Tringe, SG Dangl, JL Mitchell-Olds, T AF Wagner, Maggie R. Lundberg, Derek S. Coleman-Derr, Devin Tringe, Susannah G. Dangl, Jeffery L. Mitchell-Olds, Thomas TI Natural soil microbes alter flowering phenology and the intensity of selection on flowering time in a wild Arabidopsis relative SO ECOLOGY LETTERS LA English DT Article DE plasticity; plant-microbe interactions; soil ecology; life history; selective agents; selection; microbiome; phenology; Flowering time ID PHENOTYPIC PLASTICITY; BOECHERA-STRICTA; BACTERIAL MICROBIOTA; PLANT; ENVIRONMENTS; EVOLUTION; ECOLOGY; GROWTH; COMMUNITIES; RHIZOSPHERE AB Plant phenology is known to depend on many different environmental variables, but soil microbial communities have rarely been acknowledged as possible drivers of flowering time. Here, we tested separately the effects of four naturally occurring soil microbiomes and their constituent soil chemistries on flowering phenology and reproductive fitness of Boechera stricta, a wild relative of Arabidopsis. Flowering time was sensitive to both microbes and the abiotic properties of different soils; varying soil microbiota also altered patterns of selection on flowering time. Thus, soil microbes potentially contribute to phenotypic plasticity of flowering time and to differential selection observed between habitats. We also describe a method to dissect the microbiome into single axes of variation that can help identify candidate organisms whose abundance in soil correlates with flowering time. This approach is broadly applicable to search for microbial community members that alter biological characteristics of interest. C1 [Wagner, Maggie R.; Mitchell-Olds, Thomas] Duke Univ, Dept Biol, Program Genet & Genom, Durham, NC 27708 USA. [Lundberg, Derek S.; Dangl, Jeffery L.] Univ N Carolina, Howard Hughes Med Inst, Curriculum Genet & Mol Biol, Carolina Ctr Genome Sci,Dept Biol, Chapel Hill, NC 27599 USA. [Coleman-Derr, Devin; Tringe, Susannah G.] Joint Genome Inst, Walnut Creek, CA 94598 USA. [Dangl, Jeffery L.] Univ N Carolina, Dept Microbiol & Immunol, Carolina Ctr Genome Sci, Chapel Hill, NC 27599 USA. [Mitchell-Olds, Thomas] Duke Univ, Inst Genome Sci & Policy, Dept Biol, Durham, NC 27708 USA. RP Wagner, MR (reprint author), Duke Univ, Dept Biol, Program Genet & Genom, Durham, NC 27708 USA. EM maggie.r.wagner@gmail.com RI Mitchell-Olds, Thomas/K-8121-2012; OI Mitchell-Olds, Thomas/0000-0003-3439-9921; Tringe, Susannah/0000-0001-6479-8427; Wagner, Maggie/0000-0002-6924-7226 FU Howard Hughes Medical Institute; NIGMS NIH HHS [5T32 GM007754-32, R01 GM086496, T32 GM007092, T32 GM007754, T32 GM07092-34] NR 50 TC 33 Z9 33 U1 12 U2 122 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1461-023X EI 1461-0248 J9 ECOL LETT JI Ecol. Lett. PD JUN PY 2014 VL 17 IS 6 BP 717 EP 726 DI 10.1111/ele.12276 PG 10 WC Ecology SC Environmental Sciences & Ecology GA AG1SW UT WOS:000335197400008 PM 24698177 ER PT J AU Wang, YG Sohn, MD Wang, YL Lask, KM Kirchstetter, TW Gadgil, AJ AF Wang, Yungang Sohn, Michael D. Wang, Yilun Lask, Kathleen M. Kirchstetter, Thomas W. Gadgil, Ashok J. TI How many replicate tests are needed to test cookstove performance and emissions? - Three is not always adequate SO ENERGY FOR SUSTAINABLE DEVELOPMENT LA English DT Article DE Cookstove; Berkeley-Darfur Stove; Variability; Confidence interval; Kolmogorov-Smirnov test; Bootstrap AB Almost half of the world's population still cooks on biomass cookstoves of poor efficiency and primitive design, such as three stone fires (TSF). Emissions from biomass cookstoves contribute to adverse health effects and climate change. A number of improved cookstoves with higher energy efficiency and lower emissions have been designed and promoted across the world. During the design development, and for the selection of a stove for dissemination, the stove performance and emissions are commonly evaluated, communicated and compared using the arithmetic average of replicate tests made using a standardized laboratory-based test, commonly the water boiling test (WBT). However, the statistics section of the test protocol contains some debatable concepts and in certain cases, easily misinterpreted recommendations. Also, there is no agreement in the literature on how many replicate tests should be performed to ensure "confidence" in the reported average performance (with three being the most common number of replicates). This matter has not received sufficient attention in the rapidly growing literature on stoves, and yet is crucial for estimating and communicating the performance of a stove, and for comparing the performance between stoves. We illustrate an application using data from a number of replicate tests of performance and emission of the Berkeley-Darfur Stove (BDS) and the TSF under well-controlled laboratory conditions. Here we focus on two as illustrative: time-to-boil and emissions of PM2.5 (particulate matter less than or equal to 2.5 mu m in diameter). We demonstrate that an interpretation of the results comparing these stoves could be misleading if only a small number of replicates had been conducted. We then describe a practical approach, useful to both stove testefs-and designers, to assess the number of replicates needed to obtain useful data from previously untested stoves with unknown variability. (C) 2014 International Energy Initiative. Published by Elsevier Ltd. All rights reserved. C1 [Wang, Yungang; Sohn, Michael D.; Kirchstetter, Thomas W.; Gadgil, Ashok J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wang, Yilun] ISO Innovat Analyt, San Francisco, CA 94111 USA. [Lask, Kathleen M.] Univ Calif Berkeley, Coll Engn, Appl Sci & Technol Program, Berkeley, CA 94720 USA. [Kirchstetter, Thomas W.; Gadgil, Ashok J.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. RP Wang, YG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, One Cyclotron Rd, Berkeley, CA 94720 USA. EM yungangwang@lbl.gov OI Gadgil, Ashok/0000-0002-0357-9455 FU DOE [DE-AC02- 05CH11231]; LBNL's LDRD funds; DOE's Biomass Energy Technologies Office; California Energy Commission (CEC) [500-99-013]; National Defense Science and Engineering Graduate (NDSEG) Fellowship; National Science Foundation Graduate Research Fellowship FX This work was performed at the Lawrence Berkeley National Laboratory, operated by the University of California, under DOE Contract DE-AC02- 05CH11231. We gratefully acknowledge the partial support for this work from LBNL's LDRD funds, and DOE's Biomass Energy Technologies Office. The data used in this work were collected during research supported with grant number 500-99-013 from the California Energy Commission (CEC). Its contents are solely the responsibility of the authors and do not necessarily represent the official views of the CEC. Kathleen M. Lask was supported by the National Defense Science and Engineering Graduate (NDSEG) Fellowship and the National Science Foundation Graduate Research Fellowship. The authors gratefully acknowledge Douglas Sullivan, Jessica Granderson, Chelsea Preble, Odelle Hadley and Philip Price of Lawrence Berkeley National Laboratory for their support of this project, as well as the many students, interns, and researchers who, before us, contributed to the development of the Berkeley-Darfur stove. The authors are very grateful to have the paper manuscript reviewed by the journal reviewers. The paper quality is substantially improved owing to their careful review. NR 28 TC 11 Z9 11 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0973-0826 J9 ENERGY SUSTAIN DEV JI Energy Sustain Dev. PD JUN PY 2014 VL 20 BP 21 EP 29 DI 10.1016/j.esd.2014.02.002 PG 9 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA AH5UW UT WOS:000336197600003 ER PT J AU Vijayaraghavan, K Levin, L Parker, L Yarwood, G Streets, D AF Vijayaraghavan, Krish Levin, Leonard Parker, Lynsey Yarwood, Greg Streets, David TI RESPONSE OF FISH TISSUE MERCURY IN A FRESHWATER LAKE TO LOCAL, REGIONAL, AND GLOBAL CHANGES IN MERCURY EMISSIONS SO ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY LA English DT Article DE Mercury; Environmental modeling; Bioaccumulation; Deposition; Global emissions; Fish response ID ATMOSPHERIC MERCURY; DEPOSITION; BIOACCUMULATION; ECOSYSTEM AB A suite of mechanistic atmospheric and mercury (Hg) cycling and bioaccumulation models is applied to simulate atmospheric Hg deposition and Hg concentrations in the water column and in fish in a Hg-impaired freshwater lake located in the northeastern United States that receives its Hg loading primarily through deposition. Two future-year scenarios evaluate the long-term response of fish tissue Hg concentrations to reductions in local and nationwide coal-fired electric-generating utility and other Hg emissions and an increase or decrease in global (non-US) Hg emissions. Results indicate that fish tissue Hg concentrations in this ecosystem could require approximately 3 yr to 8 yr to begin to respond to declines in US emissions and deposition with a fish Hg reduction proportional to deposition reduction requiring over 50 yr. Furthermore, recovery could potentially be partially or completely offset by growth in non-US Hg emissions. Environ Toxicol Chem 2014;33:1238-1247. (c) 2014 SETAC C1 [Vijayaraghavan, Krish; Parker, Lynsey; Yarwood, Greg] ENVIRON Int Corp, Novato, CA 94998 USA. [Levin, Leonard] Elect Power Res Inst, Palo Alto, CA USA. [Streets, David] Argonne Natl Lab, Argonne, IL 60439 USA. RP Vijayaraghavan, K (reprint author), ENVIRON Int Corp, Novato, CA 94998 USA. EM krish@environcorp.com FU Electric Power Research Institute (EPRI) [EP-P38056/C17043] FX This work was conducted with funding from the Electric Power Research Institute (EPRI contract no. EP-P38056/C17043). We thank K. Lohman at the Lawrence Livermore National Laboratory, California, for conducting initial D-MCM simulations and preparing documentation. We thank W. Henderson and D. Neils at the New Hampshire Department of Environmental Services for providing fish survey data and other information on Mendums Pond. We thank D. Evers of the Biodiversity Research Institute for technical assistance in selecting the waterway most suitable for these modeling studies. NR 34 TC 2 Z9 2 U1 3 U2 28 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0730-7268 EI 1552-8618 J9 ENVIRON TOXICOL CHEM JI Environ. Toxicol. Chem. PD JUN PY 2014 VL 33 IS 6 BP 1238 EP 1247 DI 10.1002/etc.2584 PG 10 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA AH2FM UT WOS:000335936900009 PM 24771700 ER PT J AU Richmond, MC Serkowski, JA Ebner, LL Sick, M Brown, RS Carlson, TJ AF Richmond, Marshall C. Serkowski, John A. Ebner, Laurie L. Sick, Mirjam Brown, Richard S. Carlson, Thomas J. TI Quantifying barotrauma risk to juvenile fish during hydro-turbine passage. SO FISHERIES RESEARCH LA English DT Article DE Turbine; Hydropower; Fish passage; Salmon; Barotrauma; Computational fluid dynamics (CFD) ID SURVIVAL AB We introduce a method for hydro turbine biological performance assessment (BioPA) to bridge the gap between field and laboratory studies on fish injury and turbine engineering design. Using this method, a suite of biological performance indicators is computed based on simulated data from a computational fluid dynamics (CFD) model of a proposed hydro turbine design. Each performance indicator is a measure of the probability of exposure to a certain dose of an injury mechanism. If the relationship between the dose of an injury mechanism (stressor) and frequency of injury (dose-response) is known from laboratory or field studies, the likelihood of fish injury for a turbine design can be computed from the performance indicator. By comparing the values of the indicators from various turbine designs, engineers and biologists can identify the more-promising designs and operating conditions to minimize hydraulic conditions hazardous to passing fish. In this paper, the BioPA method is applied to estimate barotrauma induced mortal injury rates for Chinook salmon exposed to rapid pressure changes in Kaplan-type hydro turbines. Following the description of the general method, application of the BioPA to estimate the probability of mortal injury from exposure to rapid decompression is illustrated using a Kaplan hydro turbine at the John Day Dam on the Columbia River in the Pacific Northwest region of the USA. The estimated rates of mortal injury increased from 0.3% to 1.7% as discharge through the turbine increased from 334 to 564 m(3)/s for fish assumed to be acclimated to a depth of 5 m. The majority of pressure nadirs occurred immediately below the runner blades, with the lowest values in the gap at the blade tips and just below the leading edge of the blades. Such information can help engineers focus on problem areas when designing new turbine runners to be more fish-friendly than existing units. (C) 2014 Battelle Memorial Institute and Andritz Hydro Limited. Published by Elsevier B.V. All rights reserved. C1 [Richmond, Marshall C.; Serkowski, John A.] Pacific NW Natl Lab, Earth Syst Sci Div, Hydrol Grp, Richland, WA 99352 USA. [Ebner, Laurie L.] US Army Corps Engn, Portland, OR USA. [Sick, Mirjam] Andritz Hydro, Zurich, Switzerland. [Brown, Richard S.] Pacific NW Natl Lab, Earth Syst Sci Div, Ecol Grp, Richland, WA 99352 USA. [Carlson, Thomas J.] Pacific NW Natl Lab, Coastal Sci Div, Sequim, WA USA. RP Richmond, MC (reprint author), POB 999, Richland, WA 99352 USA. EM marshall.richmond@pnnl.gov RI Richmond, Marshall/D-3915-2013 OI Richmond, Marshall/0000-0003-0111-1485 FU US Department of Energy; Energy Efficiency and Renewable Energy; Wind and Water Power Program; Battelle Memorial Institute [DE-AC06-76RLO 1830] FX This research was supported by the US Department of Energy, Energy Efficiency and Renewable Energy, Wind and Water Power Program.; We thank Kenneth Ham of PNNL for assisting with the hydroacoustics data for estimating vertical fish distribution.; The US Army Corps of Engineers Turbine Survival Program provided the CFD model results for the John Day Dam turbine.; Pacific Northwest National Laboratory (PNNL) is operated for the US Department of Energy by Battelle Memorial Institute under Contract No. DE-AC06-76RLO 1830. NR 42 TC 7 Z9 7 U1 5 U2 34 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0165-7836 EI 1872-6763 J9 FISH RES JI Fish Res. PD JUN PY 2014 VL 154 BP 152 EP 164 DI 10.1016/j.flshres.2014.01.007 PG 13 WC Fisheries SC Fisheries GA AH4RZ UT WOS:000336117000016 ER PT J AU Cook, KV Brown, RS Deng, ZD Klett, RS Li, HD Seaburg, AG Eppard, MB AF Cook, Katrina V. Brown, Richard S. Deng, Z. Daniel Klett, Ryan S. Li, Huidong Seaburg, Adam G. Eppard, M. Brad TI A comparison of implantation methods for large PIT tags or injectable acoustic transmitters in juvenile Chinook salmon SO FISHERIES RESEARCH LA English DT Article DE Telemetry; Injection; Salmonid; Surgery; Tagging ID INTEGRATED TRANSPONDER TAGS; COASTAL CUTTHROAT TROUT; ATLANTIC SALMON; SWIMMING PERFORMANCE; SURGICAL IMPLANTATION; COLUMBIA RIVER; MAXIMUM TAG; SURVIVAL; GROWTH; RETENTION AB The miniaturization of acoustic transmitters may allow greater flexibility in terms of the size and species of fish available to tag. New downsized injectable acoustic tags similar in shape to passive integrated transponder tags can be rapidly injected rather than surgically implanted through a sutured incision. Before wide-scale field use of these injectable transmitters, standard protocols to ensure the most effective and least damaging methods of implantation must be developed. Three implantation methods were tested in various sizes of juvenile Chinook salmon (Oncorhynchus tschawytscha). Methods included a needle bevel-down injection, a needle bevel-up injection with a 90 degrees rotation, and tag implantation through an unsutured incision. Tagged fish were compared to untagged control groups. Weight and wound area were measured at tagging and every week for 3 weeks; holding tanks were checked daily for mortalities and tag losses. No significant differences among treatments were found in tag loss, or survival, but wound area was significantly reduced among fish tagged via an incision and growth was slightly reduced in bevel down fish. Although there were no significant differences, the bevel-up injection trended toward having the worst results in terms of tag loss and wound area and had high mortality. Implantation through an incision resulted in the lowest tag loss but the highest mortality. Fish from the bevel-down treatment group had the least mortality and smaller wound areas than the bevel-up treatment group but also showed reduced growth. Cumulatively, the data suggest that the unsutured incision and bevel-down injection methods were the most effective; the drawbacks of both methods are described in detail. (C) 2014 Elsevier B.V. All rights reserved. C1 [Cook, Katrina V.; Brown, Richard S.; Klett, Ryan S.] Pacific NW Natl Lab, Ecol Grp, Richland, WA 99352 USA. [Deng, Z. Daniel; Li, Huidong] Pacific NW Natl Lab, Hydrol Grp, Richland, WA 99352 USA. [Seaburg, Adam G.] Univ Washington, Sch Aquat & Fishery Sci, Columbia Basin Res, Seattle, WA 98101 USA. [Eppard, M. Brad] US Army Corps Engineers, Portland, OR 97208 USA. RP Brown, RS (reprint author), Pacific NW Natl Lab, Ecol Grp, POB 999, Richland, WA 99352 USA. EM rich.brown@pnnl.gov RI Deng, Daniel/A-9536-2011 OI Deng, Daniel/0000-0002-8300-8766 NR 56 TC 9 Z9 9 U1 3 U2 39 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0165-7836 EI 1872-6763 J9 FISH RES JI Fish Res. PD JUN PY 2014 VL 154 BP 213 EP 223 DI 10.1016/j.fishres.2013.11.006 PG 11 WC Fisheries SC Fisheries GA AH4RZ UT WOS:000336117000022 ER PT J AU Gepner, B Bojanowski, C Kwasniewski, L Wekezer, J AF Gepner, B. Bojanowski, C. Kwasniewski, L. Wekezer, J. TI EFFECTIVENESS OF ECE R66 AND FMVSS 220 STANDARDS IN ROLLOVER CRASHWORTHINESS ASSESSMENT OF PARATRANSIT BUSES SO INTERNATIONAL JOURNAL OF AUTOMOTIVE TECHNOLOGY LA English DT Article DE Bus safety; Finite element analysis; FMVSS 220; Rollover; Sensitivity analysis; UN ECE-R66 AB The main objective of the presented study was to compare the effectiveness of two standard test procedures for evaluating bus roof integrity: the dynamic rollover test according to UN-ECE Regulation 66 (ECE-R66), and the quasi-static symmetric roof loading according the Federal Motor Vehicle Safety Standard 220 (FMVSS 220). Both tests were applied to a selected Paratransit Bus. The investigation was carried out primarily using a numerical study backed up by experimental validation tests on components and full scale rollover tests. A sensitivity analysis using LS-OPT (R) was performed to identify the most important structural components influencing the response of the bus in these two tests. The results obtained from this study show that the final outcome of the crashworthiness assessment of the selected paratransit bus depends on the selection of the evaluation standard. Although the two tests are used for the same purpose of roof integrity evaluation, their results are divergent and may lead to different conclusions. The paper presents a discussion on the effectiveness of both standards in evaluating the rollover crashworthiness. C1 [Gepner, B.; Wekezer, J.] FAMU FSU Coll Engn, Dept Civil & Environm Engn, Tallahassee, FL 32310 USA. [Bojanowski, C.] Argonne Natl Lab, Transportat Res & Anal Comp Ctr, Argonne, IL 60439 USA. [Kwasniewski, L.] Warsaw Univ Technol, Fac Civil Engn, PL-00637 Warsaw, Poland. RP Gepner, B (reprint author), FAMU FSU Coll Engn, Dept Civil & Environm Engn, 2525 Pottsdamer St, Tallahassee, FL 32310 USA. EM bgepner@fsu.edu FU Transit Office of the Florida Department of Transportation, FDOT [BDK83-943-04]; Transit Office of the Florida Department of Transportation, FSU [027096] FX The study reported in this paper was supported by a contract from the Transit Office of the Florida Department of Transportation titled: Best Practice Guidelines for the Construction of Paratransit Buses, FDOT contract No. BDK83-943-04, FSU Project No. 027096. Opinions and views expressed in this paper are those of the authors and not necessarily those of the sponsoring agency. The authors would like to express their appreciation for this generous support and wish to acknowledge the assistance and support from Robert Westbrook, Project Manager, and Erin Schepers, the Florida TRIPS Manager. Computing resources were made available by the Transportation Research and Analysis Computing Center, Energy Systems Division, Argonne National Laboratory, and by the High Performance Computing at the Florida State University free of charge. This support is also appreciated. NR 21 TC 2 Z9 2 U1 2 U2 14 PU KOREAN SOC AUTOMOTIVE ENGINEERS-KSAE PI SEOUL PA #1301, PARADISE VENTURE TOWER, 52-GIL 21, TEHERAN-RO, GANGNAM-GU, SEOUL 135-919, SOUTH KOREA SN 1229-9138 EI 1976-3832 J9 INT J AUTO TECH-KOR JI Int. J. Automot. Technol. PD JUN PY 2014 VL 15 IS 4 BP 581 EP 591 DI 10.1007/s12239-014-0061-3 PG 11 WC Engineering, Mechanical; Transportation Science & Technology SC Engineering; Transportation GA AH7UW UT WOS:000336341800008 ER PT J AU Carriero, A Zimmermann, EA Paluszny, A Tang, SY Bale, H Busse, B Alliston, T Kazakia, G Ritchie, RO Shefelbine, SJ AF Carriero, Alessandra Zimmermann, Elizabeth A. Paluszny, Adriana Tang, Simon Y. Bale, Hrishikesh Busse, Bjorn Alliston, Tamara Kazakia, Galateia Ritchie, Robert O. Shefelbine, Sandra J. TI How Tough Is Brittle Bone? Investigating Osteogenesis Imperfecta in Mouse Bone SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Article DE BRITTLE BONE; BONE FRACTURE; FRACTURE MECHANICS; MOUSE BONE; CRACK INITIATION; CRACK GROWTH ID FATIGUE-CRACK-PROPAGATION; HUMAN CORTICAL BONE; AGE-RELATED-CHANGES; OIM MICE EXHIBIT; COMPACT-BONE; MINERAL CONTENT; MURINE MODEL; COLLAGEN; MUTATION; FRACTURE AB The multiscale hierarchical structure of bone is naturally optimized to resist fractures. In osteogenesis imperfecta, or brittle bone disease, genetic mutations affect the quality and/or quantity of collagen, dramatically increasing bone fracture risk. Here we reveal how the collagen defect results in bone fragility in a mouse model of osteogenesis imperfecta (oim), which has homotrimeric 1(I) collagen. At the molecular level, we attribute the loss in toughness to a decrease in the stabilizing enzymatic cross-links and an increase in nonenzymatic cross-links, which may break prematurely, inhibiting plasticity. At the tissue level, high vascular canal density reduces the stable crack growth, and extensive woven bone limits the crack-deflection toughening during crack growth. This demonstrates how modifications at the bone molecular level have ramifications at larger length scales affecting the overall mechanical integrity of the bone; thus, treatment strategies have to address multiscale properties in order to regain bone toughness. In this regard, findings from the heterozygous oim bone, where defective as well as normal collagen are present, suggest that increasing the quantity of healthy collagen in these bones helps to recover toughness at the multiple length scales. (c) 2014 American Society for Bone and Mineral Research. C1 [Carriero, Alessandra; Shefelbine, Sandra J.] Univ London Imperial Coll Sci Technol & Med, Dept Bioengn, London SW7 2AZ, England. [Carriero, Alessandra; Zimmermann, Elizabeth A.; Bale, Hrishikesh; Busse, Bjorn; Ritchie, Robert O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Carriero, Alessandra; Zimmermann, Elizabeth A.; Bale, Hrishikesh; Busse, Bjorn; Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Paluszny, Adriana] Univ London Imperial Coll Sci Technol & Med, Dept Earth Sci & Engn, London SW7 2AZ, England. [Tang, Simon Y.; Alliston, Tamara] Univ Calif San Francisco, Dept Orthopaed Surg, San Francisco, CA USA. [Kazakia, Galateia] Univ Calif San Francisco, Dept Radiol & Biomed Imaging, San Francisco, CA 94143 USA. RP Carriero, A (reprint author), Univ London Imperial Coll Sci Technol & Med, Royal Sch Mines, Dept Bioengn, S Kensington Campus, London SW7 2AZ, England. EM a.carriero@imperial.ac.uk RI Ritchie, Robert/A-8066-2008; Zimmermann, Elizabeth/A-4010-2015; Busse, Bjorn/O-8462-2016; OI Ritchie, Robert/0000-0002-0501-6998; Busse, Bjorn/0000-0002-3099-8073; Alliston, Tamara/0000-0001-9992-2897; Zimmermann, Elizabeth/0000-0001-9927-3372; Tang, Simon/0000-0002-5570-3921; Carriero, Alessandra/0000-0001-8103-4795 FU Laboratory Directed Research and Development Program; US Department of Energy [DE-AC02-05CH11231]; Royal Academy of Engineering, UK; Elsie Widdowson Foundation, UK; Office of Science of the US Department of Energy; [K01AR056734] FX The authors to thank Dr Joel Ager (LBNL) for his initial help with setting up the SAXS experiments, Drs Eric Schaible and Bernd Gludovatz (LBNL) for helping perform these experiments, and Mr Brian Panganiban (UC Berkeley) for his initial assistance with the mechanical testing. This work was largely performed at the LBNL, where it was supported by the Laboratory Directed Research and Development Program, funded by the US Department of Energy under contract no. DE-AC02-05CH11231. Funding for AC was provided by the Royal Academy of Engineering, UK; for SJS by the Elsie Widdowson Foundation, UK; and for GK by K01AR056734. We acknowledge the use of the two X-ray synchrotron beamlines 7.3.3 (SAXS/WAXD) and 8.3.2 (microtomography) at the ALS (LBNL), which are also supported by the Office of Science of the US Department of Energy under the same contract. NR 61 TC 35 Z9 37 U1 0 U2 20 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 JUN PY 2014 VL 29 IS 6 BP 1392 EP 1401 DI 10.1002/jbmr.2172 PG 10 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA AH3DJ UT WOS:000336001500012 PM 24420672 ER PT J AU Yang, YL Hung, MS Wang, Y Ni, J Mao, JH Hsieh, D Au, A Kumar, A Quigley, D Fang, LT Yeh, CC Xu, ZD Jablons, DM You, L AF Yang, Yi-Lin Hung, Ming-Szu Wang, Yang Ni, Jian Mao, Jian-Hua Hsieh, David Au, Alfred Kumar, Atul Quigley, David Fang, Li Tai Yeh, Che-Chung Xu, Zhidong Jablons, David M. You, Liang TI Lung tumourigenesis in a conditional Cul4A transgenic mouse model SO JOURNAL OF PATHOLOGY LA English DT Article DE non-small cell lung cancer; Cul4A; Ad-Cre; transgenic mouse models; cell cycle ID HUMAN BREAST-CANCER; CDK INHIBITOR P27; DNA-DAMAGE; GENE; AMPLIFICATION; DEGRADATION; LIGASE; EXPRESSION; TARGETS; 13Q34 AB Cullin4A (Cul4A) is a scaffold protein that assembles cullin-RING ubiquitin ligase (E3) complexes and regulates many cellular events, including cell survival, development, growth and cell cycle control. Our previous study suggested that Cul4A is oncogenic in vitro, but its oncogenic role in vivo has not been studied. Here, we used a Cul4A transgenic mouse model to study the potential oncogenic role of Cul4A in lung tumour development. After Cul4A over-expression was induced in the lungs for 32 weeks, atypical epithelial cells were observed. After 40 weeks, lung tumours were visible and were characterized as grade I or II adenocarcinomas. Immunohistochemistry (IHC) revealed decreased levels of Cul4A-associated proteins p21(CIP1) and tumour suppressor p19(ARF) in the lung tumours, suggesting that Cul4A regulated their expression in these tumours. Increased levels of p27(KIP1) and p16(INK4a) were also detected in these tumours. Moreover, the protein level of DNA replication licensing factor CDT1 was decreased. Genomic instability in the lung tumours was further analysed by the results from pericentrin protein expression and array comparative genomic hybridization analysis. Furthermore, knocking down Cul4A expression in lung cancer H2170 cells increased their sensitivity to the chemotherapy drug cisplatin in vitro, suggesting that Cul4A over-expression is associated with cisplatin resistance in the cancer cells. Our findings indicate that Cul4A is oncogenic in vivo, and this Cul4A mouse model is a tool in understanding the mechanisms of Cul4A in human cancers and for testing experimental therapies targeting Cul4A. Published by John Wiley & Sons, Ltd C1 [Yang, Yi-Lin; Hung, Ming-Szu; Wang, Yang; Ni, Jian; Hsieh, David; Kumar, Atul; Quigley, David; Fang, Li Tai; Yeh, Che-Chung; Xu, Zhidong; Jablons, David M.; You, Liang] Univ Calif San Francisco, Dept Surg, Helen Diller Family Comprehens Canc Ctr, San Francisco, CA 94115 USA. [Hung, Ming-Szu] Chang Gung Mem Hosp, Div Pulm & Crit Care Med, Chiayi, Taiwan. [Hung, Ming-Szu] Chang Gung Univ, Dept Med, Coll Med, Taoyuan, Taiwan. [Hung, Ming-Szu] Chang Gung Univ Sci & Technol, Dept Resp Care, Chiayi, Taiwan. [Wang, Yang] Capital Univ Med Sci, Beijing Chao Yang Hosp, Dept Thorac Surg, Beijing, Peoples R China. [Ni, Jian] Tongji Univ, Sch Med, Shanghai Pulm Hosp, Dept Oncol, Shanghai 200092, Peoples R China. [Mao, Jian-Hua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Au, Alfred] Univ Calif San Francisco, Div Diagnost Pathol, Helen Diller Family Comprehens Canc Ctr, San Francisco, CA 94115 USA. RP You, L (reprint author), Univ Calif San Francisco, Dept Surg, Helen Diller Family Comprehens Canc Ctr, 2340 Sutter St N-221, San Francisco, CA 94115 USA. EM liang.you@ucsfmedctr.org OI Fang, Li Tai/0000-0003-3201-5162; Yang, Yi-Lin/0000-0003-0849-962X FU National Institutes of Health (NIH) [RBI CA140654-01A1]; Kazan Foundation, Inc; McClain Foundation, Inc; Abrams Foundation, Inc; Fernandez Foundation, Inc; Lyons Foundation, Inc; Greenwood Foundation, Inc; Harley Foundation, Inc; Oberman Foundation, Inc.; Estate of Robert Griffiths; Jeffrey and Karen Peterson Family Foundation; Paul and Michelle Zygielbaum; Estate of Norman Mancini; Barbara Isackson Lung Cancer Research Fund FX The present study was supported by the National Institutes of Health (NIH; Grant No. RBI CA140654-01A1, to LY). We are grateful for support from the Kazan, McClain, Abrams, Fernandez, Lyons, Greenwood, Harley and Oberman Foundation, Inc.; the Estate of Robert Griffiths; the Jeffrey and Karen Peterson Family Foundation; Paul and Michelle Zygielbaum; the Estate of Norman Mancini; and the Barbara Isackson Lung Cancer Research Fund. We specially thank Osamu Tetsu PhD from UCSF Cancer Center for kindly providing the HA-p21CIP1-pcDNA3 plasmid as a gift. We thank Loretta Chan in the UCSF Cancer Center Tissue Core for her help. We also thank Pamela Derish in the UCSE Department of Surgery for editorial assistance with the manuscript. NR 40 TC 9 Z9 10 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0022-3417 EI 1096-9896 J9 J PATHOL JI J. Pathol. PD JUN PY 2014 VL 233 IS 2 BP 113 EP 123 DI 10.1002/path.4352 PG 11 WC Oncology; Pathology SC Oncology; Pathology GA AH8JK UT WOS:000336383900002 PM 24648314 ER PT J AU Fanelli, VR Lawrence, JM Goremychkin, EA Osborn, R Bauer, ED McClellan, KJ Thompson, JD Booth, CH Christianson, AD Riseborough, PS AF Fanelli, V. R. Lawrence, J. M. Goremychkin, E. A. Osborn, R. Bauer, E. D. McClellan, K. J. Thompson, J. D. Booth, C. H. Christianson, A. D. Riseborough, P. S. TI Q-dependence of the spin fluctuations in the intermediate valence compound CePd3 SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article DE Anderson impurity model; Anderson lattice model; intermediate valence; Kondo model; inelastic neutron scattering ID NEUTRON INELASTIC-SCATTERING; SINGLE-CRYSTAL; SPECTRAL RESPONSE; KONDO-LATTICE AB We report inelastic neutron scattering experiments on a single crystal of the intermediate valence compound CePd3. At 300 K the magnetic scattering is quasielastic, with half-width G = 23 meV, and is independent of momentum transfer Q. At low temperature, the Q-averaged magnetic spectrum is inelastic, exhibiting a broad peak centered near E-max = 55 meV. These results, together with the temperature dependence of the susceptibility, 4f occupation number, and specific heat, can be fit by the Kondo/Anderson impurity model. The low temperature scattering near Emax, however, shows significant variations with Q, reflecting the coherence of the 4f lattice. The intensity is maximal at (1/2, 1/2, 0), intermediate at (1/2, 0, 0) and (0, 0, 0), and weak at (1/2, 1/2, 1/2). We discuss this Q-dependence in terms of current ideas about coherence in heavy fermion systems. C1 [Fanelli, V. R.; Lawrence, J. M.; Bauer, E. D.; McClellan, K. J.; Thompson, J. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Fanelli, V. R.; Lawrence, J. M.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Goremychkin, E. A.] Univ Southampton, Sch Phys & Astron, Southampton S017 1BJ, Hants, England. [Osborn, R.] Argonne Natl Lab, Argonne, IL 60439 USA. [Booth, C. H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Christianson, A. D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Riseborough, P. S.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. RP Fanelli, VR (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM vfanelli@lanl.gov RI Riseborough, Peter/D-4689-2011; Fanelli, Victor/A-4375-2015; christianson, andrew/A-3277-2016; OI christianson, andrew/0000-0003-3369-5884; Bauer, Eric/0000-0003-0017-1937 FU UCI [DE-FG02-03ER46036]; Temple [DE-FG02-84ER45872]; LBNL [DE-AC02-05CH11231]; ANL [DE-AC02-06CH11357]; Scientific User Facilities Division of BES/DOE; Office of Basic Energy Sciences (BES) of the US Department of Energy (DOE) FX Work at the University of California, Irvine (UCI), Temple University, Argonne National Laboratory (ANL), Lawrence Berkeley National Laboratory (LBNL), and Los Alamos National Laboratory (LANL) was supported by the Office of Basic Energy Sciences (BES) of the US Department of Energy (DOE). The work was funded by awards DE-FG02-03ER46036 (UCI), DE-FG02-84ER45872 (Temple), DE-AC02-05CH11231 (LBNL) and DE-AC02-06CH11357 (ANL). Research at Oak Ridge National Laboratory (ORNL) and at the Stanford Synchrotron Radiation Lightsource (SSRL) was sponsored by the Scientific User Facilities Division of BES/DOE. NR 30 TC 5 Z9 5 U1 2 U2 27 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD JUN PY 2014 VL 26 IS 22 AR 225602 DI 10.1088/0953-8984/26/22/225602 PG 8 WC Physics, Condensed Matter SC Physics GA AH6UA UT WOS:000336265300010 PM 24824417 ER PT J AU Kucheyev, SO Van Cleve, E Worsley, MA AF Kucheyev, S. O. Van Cleve, E. Worsley, M. A. TI Freezing and melting of hydrogen confined in nanoporous silica SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article DE hydrogen; nanoporous silica; crystallization; melting; freezing ID POROUS VYCOR GLASS; MOLECULAR-HYDROGEN; NMR CRYOPOROMETRY; ADSORPTION; SCATTERING; ZEOLITE; PORES; H-2 AB Thermodynamic properties of condensed hydrogen in geometric confinement remain poorly understood. Here, we use relaxation calorimetry to study solidification and melting of H-2 in a series of Vycor-type nanoporous silica glasses with interconnected pores with average diameters in a wide range of similar to 100-3000 angstrom. We find that the depression of freezing and melting temperatures for this quantum system follows the classical Gibbs-Thomson-like behavior, scaling inversely with the pore size when correlated to pore diameters measured directly by electron microscopy, rather than conventional gas sorption techniques. The shapes of pore size distributions derived from hydrogen thermoporometry are, however, more complex than those measured by gas sorption. The ratio between temperatures of the depression of freezing and melting suggests that the actual pore geometry in Vycor-type nanoporous glasses deviates from cylindrical. C1 [Kucheyev, S. O.; Van Cleve, E.; Worsley, M. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Kucheyev, SO (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM kucheyev@llnl.gov OI Worsley, Marcus/0000-0002-8012-7727 FU US DOE by LLNL [DE-AC52-07NA27344] FX We are grateful to R R Miles for valuable discussions and to S J Shin for help with electron microscopy experiments. This work was performed under the auspices of the US DOE by LLNL under Contract DE-AC52-07NA27344. NR 29 TC 4 Z9 4 U1 1 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD JUN PY 2014 VL 26 IS 22 AR 225004 DI 10.1088/0953-8984/26/22/225004 PG 7 WC Physics, Condensed Matter SC Physics GA AH6UA UT WOS:000336265300005 PM 24823921 ER PT J AU Gross, RE Harris, SP AF Gross, Robert E. Harris, Stephen P. TI Statististical Performance Evaluation of Soft Seat Pressure Relief Valves SO JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article AB Risk-based inspection methods enable estimation of the probability of failure on demand (PFD) for spring-operated pressure relief valves at the United States Department of Energy's Savannah River Site in Aiken, South Carolina. This paper presents a statistical performance evaluation of soft seat elastomer spring operated pressure relief valves. These pressure relief valves are typically smaller and of lower cost than hard seat (metal to metal) pressure relief valves. They can provide substantial cost savings in certain fluid service applications providing that PFD is at least as good as that for hard seat valves. PFD is the probability that a pressure relief valve fails to perform its intended safety function during a potentially dangerous over pressurization. The research in this paper shows that the proportion of soft seat spring operated pressure relief valves failing is the same or less than that of hard seat valves, and that for failed valves, soft seat valves typically have failure ratios of proof test pressure to set pressure much less than that of hard seat valves. C1 [Gross, Robert E.] Savannah River Nucl Solut, Aiken, SC 29808 USA. [Harris, Stephen P.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Gross, RE (reprint author), Savannah River Nucl Solut, US DOE Savannah River Site 704-2H, Aiken, SC 29808 USA. EM robert.gross@srs.gov; stephen.harris@srnl.doe.gov NR 11 TC 0 Z9 0 U1 1 U2 5 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-9930 EI 1528-8978 J9 J PRESS VESS-T ASME JI J. Press. Vessel Technol.-Trans. ASME PD JUN PY 2014 VL 136 IS 3 AR 031301 DI 10.1115/1.4026362 PG 6 WC Engineering, Mechanical SC Engineering GA AH9DT UT WOS:000336442100007 ER PT J AU Nath, P Maity, TS Pettersson, F Resnick, J Kunde, Y Kraus, N Castano, N AF Nath, Pulak Maity, Tuhin S. Pettersson, Frida Resnick, Jesse Kunde, Yuliya Kraus, Noelle Castano, Nicolas TI Polymerase chain reaction compatibility of adhesive transfer tape based microfluidic platforms SO MICROSYSTEM TECHNOLOGIES-MICRO-AND NANOSYSTEMS-INFORMATION STORAGE AND PROCESSING SYSTEMS LA English DT Article ID SOFT LITHOGRAPHY; PCR; DEVICE AB Laser patterned adhesive transfer tapes are a rapid, versatile, and low cost option to fabricate microfluidic platforms. In this work, we examined the compatibility with polymerase chain reaction (PCR) of different types of adhesive tape materials patterned with a CO2 laser cutter. Acrylic, polyimide, and silicone-based tapes were considered. We performed a systematic study on off-the-shelf adhesive tapes with respect to fluid handling, PCR inhibition, reagent loss, and on-chip PCR reaction. A novel microfluidic PCR approach was implemented that combines the advantages of previously reported systems. It uses a thermal gradient from a single heating element and the thermocycling was carried out by passing the reaction mixture back and forth in a microfluidic channel strategically placed along the thermal gradient. Only the silicone-based tapes were compatible with on-chip PCR. The overall fabrication process takes less than 30 min, uses only off-the-shelf finished or semi-finished materials, and is amenable to large-scale reel-to-reel processing. C1 [Nath, Pulak; Pettersson, Frida; Resnick, Jesse; Kraus, Noelle; Castano, Nicolas] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Maity, Tuhin S.; Kunde, Yuliya] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Nath, P (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM pulakn@lanl.gov FU Department of Energy Laboratory Directed Research and Development Grant at Los Alamos National Laboratory [20070010-DR] FX This work was funded by a Department of Energy Laboratory Directed Research and Development Grant (20070010-DR) at Los Alamos National Laboratory. The authors thank Michelle Espy, Momchilo Vuyisich, Scott White, Andrew Badbury, Ahmet Zeytun, Alina Deshpande, and John Dunbar for valuable discussions. NR 22 TC 3 Z9 3 U1 1 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0946-7076 EI 1432-1858 J9 MICROSYST TECHNOL JI Microsyst. Technol. PD JUN PY 2014 VL 20 IS 6 BP 1187 EP 1193 DI 10.1007/s00542-013-1901-1 PG 7 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Science & Technology - Other Topics; Materials Science; Physics GA AH8GT UT WOS:000336375700017 ER PT J AU Anderson, L Aubourg, E Bailey, S Beutler, F Bhardwaj, V Blanton, M Bolton, AS Brinkmann, J Brownstein, JR Burden, A Chuang, CH Cuesta, AJ Dawson, KS Eisenstein, DJ Escoffier, S Gunn, JE Guo, H Ho, S Honscheid, K Howlett, C Kirkby, D Lupton, RH Manera, M Maraston, C McBride, CK Mena, O Montesano, F Nichol, RC Nuza, SE Olmstead, MD Padmanabhan, N Palanque-Delabrouille, N Parejko, J Percival, WJ Petitjean, P Prada, F Price-Whelan, AM Reid, B Roe, NA Ross, AJ Ross, NP Sabiu, CG Saito, S Samushia, L Sanchez, AG Schlegel, DJ Schneider, DP Scoccola, CG Seo, HJ Skibba, RA Strauss, MA Swanson, MEC Thomas, D Tinker, JL Tojeiro, R Magana, MV Verde, L Wake, DA Weaver, BA Weinberg, DH White, M Xu, XY Yeche, C Zehavi, I Zhao, GB AF Anderson, Lauren Aubourg, Eric Bailey, Stephen Beutler, Florian Bhardwaj, Vaishali Blanton, Michael Bolton, Adam S. Brinkmann, J. Brownstein, Joel R. Burden, Angela Chuang, Chia-Hsun Cuesta, Antonio J. Dawson, Kyle S. Eisenstein, Daniel J. Escoffier, Stephanie Gunn, James E. Guo, Hong Ho, Shirley Honscheid, Klaus Howlett, Cullan Kirkby, David Lupton, Robert H. Manera, Marc Maraston, Claudia McBride, Cameron K. Mena, Olga Montesano, Francesco Nichol, Robert C. Nuza, Sebastian E. Olmstead, Matthew D. Padmanabhan, Nikhil Palanque-Delabrouille, Nathalie Parejko, John Percival, Will J. Petitjean, Patrick Prada, Francisco Price-Whelan, Adrian M. Reid, Beth Roe, Natalie A. Ross, Ashley J. Ross, Nicholas P. Sabiu, Cristiano G. Saito, Shun Samushia, Lado Sanchez, Ariel G. Schlegel, David J. Schneider, Donald P. Scoccola, Claudia G. Seo, Hee-Jong Skibba, Ramin A. Strauss, Michael A. Swanson, Molly E. C. Thomas, Daniel Tinker, Jeremy L. Tojeiro, Rita Magana, Mariana Vargas Verde, Licia Wake, David A. Weaver, Benjamin A. Weinberg, David H. White, Martin Xu, Xiaoying Yeche, Christophe Zehavi, Idit Zhao, Gong-Bo TI The clustering of galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: baryon acoustic oscillations in the Data Releases 10 and 11 Galaxy samples SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE cosmological parameters; cosmology: observations; dark energy; distance scale; large-scale structure of Universe ID DIGITAL SKY SURVEY; LUMINOUS RED GALAXIES; POWER-SPECTRUM ANALYSIS; HUBBLE-SPACE-TELESCOPE; LARGE-SCALE STRUCTURE; SURVEY IMAGING DATA; COSMOLOGICAL IMPLICATIONS; CENT DISTANCE; III/BOSS GALAXIES; REDSHIFT SURVEY AB We present a one per cent measurement of the cosmic distance scale from the detections of the baryon acoustic oscillations (BAO) in the clustering of galaxies from the Baryon Oscillation Spectroscopic Survey, which is part of the Sloan Digital Sky Survey III. Our results come from the Data Release 11 (DR11) sample, containing nearly one million galaxies and covering approximately 8500 square degrees and the redshift range 0.2 < z < 0.7. We also compare these results with those from the publicly released DR9 and DR10 samples. Assuming a concordance A cold dark matter (ACDM) cosmological model, the DR11 sample covers a volume of 13 Gpc(3) and is the largest region of the Universe ever surveyed at this density. We measure the correlation function and power spectrum, including density- field reconstruction of the BAO feature. The acoustic features are detected at a significance of over 7s in both the correlation function and power spectrum. Fitting for the position of the acoustic features measures the distance relative to the sound horizon at the drag epoch, r(d), which has a value of r(d,fid) = 149.28 Mpc in our fiducial cosmology. We find D-V = (1264 +/- 25 Mpc)(r(d)/r(d,fid)) at z = 0.32 and D-V = (2056 +/- 20 Mpc)(r(d)/r(d,fid)) at z = 0.57. At 1.0 per cent, this latter measure is the most precise distance constraint ever obtained from a galaxy survey. Separating the clustering along and transverse to the line of sight yields measurements at z = 0.57 of D-A = (1421 +/- 20 Mpc)(r(d)/r(d,fid)) and H = (96.8 +/- 3.4 kms(-1) Mpc(-1))(r(d),(fid)/r(d)). Our measurements of the distance scale are in good agreement with previous BAO measurements and with the predictions from cosmic microwave background data for a spatially flat CDM model with a cosmological constant. C1 [Anderson, Lauren; Bhardwaj, Vaishali] Univ Washington, Dept Astron, Seattle, WA 98195 USA. [Aubourg, Eric; Magana, Mariana Vargas] Univ Paris Diderot, CNRS IN2P3, CEA Irfu, APC,Observ Paris,Sorbonne Paris Cite, F-75205 Paris 13, France. [Bailey, Stephen; Beutler, Florian; Bhardwaj, Vaishali; Palanque-Delabrouille, Nathalie; Reid, Beth; Roe, Natalie A.; Ross, Nicholas P.; Schlegel, David J.; White, Martin] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Blanton, Michael; Tinker, Jeremy L.; Weaver, Benjamin A.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [Bolton, Adam S.; Brownstein, Joel R.; Dawson, Kyle S.; Guo, Hong; Olmstead, Matthew D.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Brinkmann, J.] Apache Point Observ, Sunspot, NM 88349 USA. [Burden, Angela; Howlett, Cullan; Manera, Marc; Maraston, Claudia; Nichol, Robert C.; Percival, Will J.; Ross, Ashley J.; Samushia, Lado; Thomas, Daniel; Tojeiro, Rita; Zhao, Gong-Bo] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Chuang, Chia-Hsun; Prada, Francisco; Scoccola, Claudia G.] Univ Autonoma Madrid, Inst Fis Teor UAM CSIC, E-28049 Madrid, Spain. [Cuesta, Antonio J.; Padmanabhan, Nikhil; Parejko, John] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Cuesta, Antonio J.] Univ Barcelona, IEEC UB, Inst Ciencies Cosmos, E-08028 Barcelona, Spain. [Eisenstein, Daniel J.; McBride, Cameron K.; Swanson, Molly E. C.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Escoffier, Stephanie] Aix Marseille Univ, CPPM, CNRS IN2P3, Marseille 07, France. [Gunn, James E.; Strauss, Michael A.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Ho, Shirley; Lupton, Robert H.; Xu, Xiaoying] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Honscheid, Klaus] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Honscheid, Klaus; Seo, Hee-Jong; Weinberg, David H.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Kirkby, David] UC Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Manera, Marc] UCL, London WC1E 6BT, England. [Mena, Olga] Univ Valencia, IFIC, CSIC, E-46071 Valencia, Spain. [Montesano, Francesco; Sanchez, Ariel G.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Nuza, Sebastian E.] Leibniz Inst Astrophys Potsdam AIP, D-14482 Potsdam, Germany. [Palanque-Delabrouille, Nathalie; Yeche, Christophe] CEA, Ctr Saclay, IRFU, F-91191 Gif Sur Yvette, France. [Petitjean, Patrick] Univ Paris 06, Inst Astrophys Paris, CNRS UMR7095, F-75014 Paris, France. [Prada, Francisco] Campus Int Excellence UAM CSIC, E-28049 Madrid, Spain. [Prada, Francisco] CSIC, Inst Astrofis Andalucia, E-18080 Granada, Spain. [Price-Whelan, Adrian M.] Columbia Univ, Dept Astron, New York, NY 10027 USA. [Reid, Beth; White, Martin] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Ross, Nicholas P.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. [Sabiu, Cristiano G.] Korea Inst Adv Study, Seoul 130722, South Korea. [Saito, Shun] Univ Tokyo, Kavli Inst Phys & Math Universe WPI, Todai Inst Adv Study, Chiba 2778582, Japan. [Samushia, Lado] Ilia State Univ, Natl Abastumani Astrophys Observ, GE-1060 Tbilisi, Rep of Georgia. [Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Scoccola, Claudia G.] IAC, E-38200 Tenerife, Spain. [Scoccola, Claudia G.; Verde, Licia] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain. [Seo, Hee-Jong] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, LBL, Berkeley, CA 94720 USA. [Seo, Hee-Jong] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Skibba, Ramin A.] Univ Calif San Diego, Dept Phys, Ctr Astrophys & Space Sci, San Diego, CA 92093 USA. [Verde, Licia] ICREA, E-08028 Barcelona, Spain. [Verde, Licia] ICC UB Univ Barcelona, E-08028 Barcelona, Spain. [Wake, David A.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. [Wake, David A.] Open Univ, Dept Phys Sci, Milton Keynes MK7 6AA, Bucks, England. [Weinberg, David H.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [White, Martin] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Zehavi, Idit] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA. [Zhao, Gong-Bo] Chinese Acad Sci, Natl Astron Observ, Beijing 100012, Peoples R China. RP Anderson, L (reprint author), Univ Washington, Dept Astron, Box 351580, Seattle, WA 98195 USA. EM djschlegel@lbl.gov; mwhite@berkeley.edu RI Ho, Shirley/P-3682-2014; Guo, Hong/J-5797-2015; White, Martin/I-3880-2015; OI Ho, Shirley/0000-0002-1068-160X; Guo, Hong/0000-0003-4936-8247; White, Martin/0000-0001-9912-5070; Escoffier, Stephanie/0000-0002-2847-7498; Kirkby, David/0000-0002-8828-5463; Beutler, Florian/0000-0003-0467-5438; Cuesta Vazquez, Antonio Jose/0000-0002-4153-9470; Verde, Licia/0000-0003-2601-8770 FU Alfred P. Sloan Foundation; National Science Foundation; US Department of Energy Office of Science; NASA Office of Space Science; Office of Science of the US Department of Energy [DE-AC02-05CH11231]; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; University of Cambridge; Carnegie Mellon University; University of Florida; French Participation Group; German Participation Group; Harvard University; Instituto de Astrofisica de Canarias; Michigan State/Notre Dame/JINA Participation Group; Johns Hopkins University; Lawrence Berkeley National Laboratory; Max Planck Institute for Astrophysics; Max Planck Institute for Extraterrestrial Physics; New Mexico State University; New York University; Ohio State University; Pennsylvania State University; University of Portsmouth; Princeton University; Spanish Participation Group; University of Tokyo; University of Utah; Vanderbilt University; University of Virginia; University of Washington; Yale University FX Funding for SDSS-III has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, and the US Department of Energy Office of Science. The SDSS-III website is http://www.sdss3.org/.; SDSS-III is managed by the Astrophysical Research Consortium for the Participating Institutions of the SDSS-III Collaboration including the University of Arizona, the Brazilian Participation Group, Brookhaven National Laboratory, University of Cambridge, Carnegie Mellon University, University of Florida, the French Participation Group, the German Participation Group, Harvard University, the Instituto de Astrofisica de Canarias, the Michigan State/Notre Dame/JINA Participation Group, Johns Hopkins University, Lawrence Berkeley National Laboratory, Max Planck Institute for Astrophysics, Max Planck Institute for Extraterrestrial Physics, New Mexico State University, New York University, Ohio State University, Pennsylvania State University, University of Portsmouth, Princeton University, the Spanish Participation Group, University of Tokyo, University of Utah, Vanderbilt University, University of Virginia, University of Washington, and Yale University.; We acknowledge the use of the Legacy Archive for Microwave Background Data Analysis (LAMBDA). Support for LAMBDA is provided by the NASA Office of Space Science.; This research used resources of 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 130 TC 332 Z9 332 U1 8 U2 36 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 JUN PY 2014 VL 441 IS 1 BP 24 EP 62 DI 10.1093/mnras/stu523 PG 39 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH6OC UT WOS:000336249300002 ER PT J AU Tenneti, A Mandelbaum, R Di Matteo, T Feng, Y Khandai, N AF Tenneti, Ananth Mandelbaum, Rachel Di Matteo, Tiziana Feng, Yu Khandai, Nishikanta TI Galaxy shapes and intrinsic alignments in the MassiveBlack-II simulation SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitational lensing: weak; hydrodynamics; methods: numerical; galaxies: star formation ID DARK-MATTER HALOES; WEAK-LENSING SURVEYS; LARGE-SCALE STRUCTURE; DISC GALAXIES; COSMIC SHEAR; ENERGY CONSTRAINTS; ANGULAR-MOMENTUM; RADIAL ALIGNMENT; POWER SPECTRA; BLACK-HOLES AB The intrinsic alignment of galaxy shapes with the large-scale density field is a contaminant to weak lensing measurements, as well as being an interesting signature of galaxy formation and evolution (albeit one that is difficult to predict theoretically). Here we investigate the shapes and relative orientations of the stars and dark matter of haloes and subhaloes (central and satellite) extracted from theMassiveBlack-II simulation, a state-of-the-art high-resolution hydrodynamical cosmological simulation which includes stellar and active galactic nucleus feedback in a volume of (100 h(-1) Mpc)(3). We consider redshift evolution from z = 1 to 0.06 and mass evolution within the range of subhalo masses, 10(10)-6.0x10(14.0) h(-1) M-circle dot. The shapes of the dark matter distributions are generally more round than the shapes defined by stellar matter. The projected root-mean-square ellipticity per component for stellar matter is measured to be e(rms) = 0.28 at z = 0.3 for M-subhalo > 10(12.0) h(-1) M-circle dot, which compares favourably with observational measurements. We find that the shapes of stellar and dark matter are more round for lessmassive subhaloes and at lower redshifts. By directly measuring the relative orientation of the stellar matter and dark matter of subgroups, we find that, on average, the misalignment between the two components is larger for less massive subhaloes. The mean misalignment angle varies from similar to 30 degrees to 10 degrees for M similar to 10(10)-10(14) h(-1) M-circle dot and shows a weak dependence on redshift. We also compare the misalignment angles in central and satellite subhaloes at fixed subhalo mass, and find that centrals are more misaligned than satellites. We present fitting formulae for the shapes of dark and stellar matter in subhaloes and also the probability distributions of misalignment angles. C1 [Tenneti, Ananth; Mandelbaum, Rachel; Di Matteo, Tiziana; Feng, Yu] Carnegie Mellon Univ, Dept Phys, McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA. [Khandai, Nishikanta] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Tenneti, A (reprint author), Carnegie Mellon Univ, Dept Phys, McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA. EM vat@andrew.cmu.edu RI Mandelbaum, Rachel/N-8955-2014; Di Matteo, Tiziana/O-4762-2014 OI Mandelbaum, Rachel/0000-0003-2271-1527; Di Matteo, Tiziana/0000-0002-6462-5734 FU Alfred P. Sloan Foundation; National Science Foundation (NSF) PetaApps programme [OCI-0749212]; NSF [AST-1009781] FX RM's work on this project is supported in part by the Alfred P. Sloan Foundation. We thank Alina Kiessling, Michael Schneider and Jonathan Blazek for useful discussions of this work. The simulations were run on the Cray XT5 supercomputer Kraken at the National Institute for Computational Sciences. This research has been funded by the National Science Foundation (NSF) PetaApps programme OCI-0749212 and by NSF AST-1009781. NR 58 TC 29 Z9 29 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 JUN PY 2014 VL 441 IS 1 BP 470 EP 485 DI 10.1093/mnras/stu586 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH6OC UT WOS:000336249300033 ER PT J AU Karagiannis, D Shanks, T Ross, NP AF Karagiannis, D. Shanks, T. Ross, Nicholas P. TI Search for primordial non-Gaussianity in the quasars of SDSS-III BOSS DR9 SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE cosmology: observations; large-scale structure of Universe ID DIGITAL-SKY-SURVEY; OSCILLATION SPECTROSCOPIC SURVEY; LUMINOUS RED GALAXIES; OBSERVATIONS COSMOLOGICAL INTERPRETATION; 2-POINT CORRELATION-FUNCTION; SURVEY IMAGING DATA; 9TH DATA RELEASE; CLUSTERING EVOLUTION; TARGET SELECTION; REDSHIFT-SPACE AB We analyse the clustering of 22 361 quasars between redshift 2.2 < z < 2.9 observed with the Sloan Digital Sky Survey (SDSS)-III Baryon Oscillation Spectroscopic Survey (BOSS), which are included in the ninth data release (DR9). We fit the clustering results with a Lambda cold dark matter (Lambda CDM) model to calculate the linear bias of the quasar sample, b = 3.74 +/- 0.12. The measured value of bias is consistent with the findings of White et al., where they analyse almost the same quasar sample, although only in the range s < 40 h(-1) Mpc. At large scales we observe an excess or plateau in the clustering correlation function. By fitting a model that incorporates a scale dependent additional term in the bias introduced by primordial non-Gaussianity of the local type, we calculate the amplitude of the deviation from the Gaussian initial conditions as 70 < f(NL)(local) < 190 at the 95 per cent confidence level. We correct the sample from systematics according to the methods of Ross et al. and Ho et al., with the f(NL)(local) measurements after the application of the two methods being consistent with each other. Finally, we use cross-correlations across redshift slices to test the corrected sample for any remaining unknown sources of systematics, but the results give no indication of any such further errors. We consider as our final results on non-Gaussianity, 46 < f(NL)(local) < 158 at 95 per cent confidence, after correcting the sample with the weights method of Ross et al. These results are consistent with previous tight constraints on non-Gaussianity from other Large-Scale Structures surveys, but are in tension with the latest results from the cosmic microwave background. C1 [Karagiannis, D.; Shanks, T.] Univ Durham, Dept Phys, Durham DH1 3LE, England. [Ross, Nicholas P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ross, Nicholas P.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. RP Karagiannis, D (reprint author), Univ Durham, Dept Phys, S Rd, Durham DH1 3LE, England. EM dionysios.karagiannis@pd.infn.it FU Alfred P. Sloan Foundation; National Science Foundation; U.S. Department of Energy; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; University of Cambridge; University of Florida; French Participation Group; German Participation Group; Instituto de Astrofisica de Canarias; Michigan State/Notre Dame/JINA Participation Group; Johns Hopkins University; Lawrence Berkeley National Laboratory; Max Planck Institute for Astrophysics; New Mexico State University; New York University; Ohio State University; Pennsylvania State University; University of Portsmouth; Princeton University; Spanish Participation Group; University of Tokyo; University of Utah; Vanderbilt University; University of Virginia; University of Washington; Yale University FX Funding for SDSS-III has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, and the U.S. Department of Energy. The SDSS-III web site is http://www.sdss3.org/.; SDSS-III is managed by the Astrophysical Research Consortium for the Participating Institutions of the SDSS-III Collaboration including the University of Arizona, the Brazilian Participation Group, Brookhaven National Laboratory, University of Cambridge, University of Florida, the French Participation Group, the German Participation Group, the Instituto de Astrofisica de Canarias, the Michigan State/Notre Dame/JINA Participation Group, Johns Hopkins University, Lawrence Berkeley National Laboratory, Max Planck Institute for Astrophysics, New Mexico State University, New York University, Ohio State University, Pennsylvania State University, University of Portsmouth, Princeton University, the Spanish Participation Group, University of Tokyo, University of Utah, Vanderbilt University, University of Virginia, University of Washington, and Yale University. NR 86 TC 7 Z9 7 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 JUN PY 2014 VL 441 IS 1 BP 486 EP 502 DI 10.1093/mnras/stu590 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH6OC UT WOS:000336249300034 ER PT J AU Melchior, P Sutter, PM Sheldon, ES Krause, E Wandelt, BD AF Melchior, Peter Sutter, P. M. Sheldon, Erin S. Krause, Elisabeth Wandelt, Benjamin D. TI First measurement of gravitational lensing by cosmic voids in SDSS SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitational lensing: weak; cosmology: observations ID DIGITAL SKY SURVEY; DATA RELEASE; STACKED VOIDS; GALAXY VOIDS; DARK-MATTER; MASS; DISTRIBUTIONS; LUMINOSITY; CATALOG; MODEL AB We report the first measurement of the diminutive lensing signal arising from matter under-densities associated with cosmic voids. While undetectable individually, by stacking the weak gravitational shear estimates around 901 voids detected in Sloan Digital Sky Survey DR7 by Sutter et al., we find substantial evidence for a depression of the lensing signal compared to the cosmic mean. This depression is most pronounced at the void radius, in agreement with analytical models of void matter profiles. Even with the largest void sample and imaging survey available today, we cannot put useful constraints on the radial dark matter void profile. We invite independent investigations of our findings by releasing data and analysis code to the public at https://github.com/pmelchior/void-lensing. C1 [Melchior, Peter; Sutter, P. M.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Melchior, Peter] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Sutter, P. M.; Wandelt, Benjamin D.] Univ Paris 06, Inst Astrophys Paris, UMR 7095, F-75014 Paris, France. [Sutter, P. M.; Wandelt, Benjamin D.] Inst Astrophys, CNRS, UMR 7095, F-75014 Paris, France. [Sutter, P. M.; Wandelt, Benjamin D.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Sheldon, Erin S.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Krause, Elisabeth] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Wandelt, Benjamin D.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. RP Melchior, P (reprint author), Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. EM peter.m.melchior@gmail.com OI WANDELT, Benjamin/0000-0002-5854-8269 FU US Department of Energy [DE- FG02-91ER40690, DE-AC02-98CH10886]; NSF [AST-0908902, AST-0708849]; ANR Chaire d'Excellence; UPMC Chaire Internationale in Theoretical Cosmology FX The authors thank Guilhem Lavaux and Christopher Bonnet for useful discussions. The manuscript profitted considerably from suggestions by Uros Seljak and the anonymous referee. PM is supported by the US Department of Energy under Contract no. DE- FG02-91ER40690. PMS and BDW acknowledge support from NSF Grant AST-0908902. BDW acknowledges funding from an ANR Chaire d'Excellence, the UPMC Chaire Internationale in Theoretical Cosmology, and NSF grants AST-0908902 and AST-0708849. ES is supported in part by the US Department of Energy under Contract no. DE-AC02-98CH10886. NR 43 TC 33 Z9 33 U1 0 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD JUN PY 2014 VL 440 IS 4 BP 2922 EP 2927 DI 10.1093/mnras/stu456 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH6AT UT WOS:000336213800003 ER PT J AU Schmidt, W Almgren, AS Braun, H Engels, JF Niemeyer, JC Schulz, J Mekuria, RR Aspden, AJ Bell, JB AF Schmidt, W. Almgren, A. S. Braun, H. Engels, J. F. Niemeyer, J. C. Schulz, J. Mekuria, R. R. Aspden, A. J. Bell, J. B. TI Cosmological fluid mechanics with adaptively refined large eddy simulations SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE hydrodynamics; magnetic fields; turbulence; methods: numerical; galaxies: clusters: intracluster medium; intergalactic medium ID HYPERBOLIC CONSERVATION-LAWS; LARGE-SCALE STRUCTURE; GALAXY CLUSTERS; INTRACLUSTER MEDIUM; INTERGALACTIC MEDIUM; TURBULENT FLOWS; MAGNETIC-FIELDS; MODEL; AMPLIFICATION; CONDUCTION AB We investigate turbulence generated by cosmological structure formation by means of large eddy simulations using adaptive mesh refinement. In contrast to the widely used implicit large eddy simulations, which resolve a limited range of length-scales and treat the effect of turbulent velocity fluctuations below the grid scale solely by numerical dissipation, we apply a subgrid-scale model for the numerically unresolved fraction of the turbulence energy. For simulations with adaptive mesh refinement, we utilize a new methodology that allows us to adjust the scale-dependent energy variables in such a way that the sum of resolved and unresolved energies is globally conserved. We test our approach in simulations of randomly forced turbulence, a gravitationally bound cloud in a wind, and the Santa Barbara cluster. To treat inhomogeneous turbulence, we introduce an adaptive Kalman filtering technique that separates turbulent velocity fluctuations on resolved length-scales from the non-turbulent bulk flow. From the magnitude of the fluctuating component and the subgrid-scale turbulence energy, a total turbulent velocity dispersion of several 100 km s(-1) is obtained for the Santa Barbara cluster, while the low-density gas outside the accretion shocks is nearly devoid of turbulence. The energy flux through the turbulent cascade and the dissipation rate predicted by the subgrid-scale model correspond to dynamical time-scales around 5 Gyr, independent of numerical resolution. C1 [Schmidt, W.; Braun, H.; Engels, J. F.; Niemeyer, J. C.; Mekuria, R. R.] Univ Gottingen, Inst Astrophys, D-37077 Gottingen, Germany. [Almgren, A. S.; Aspden, A. J.; Bell, J. B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. [Schulz, J.] Univ Gottingen, Inst Numer & Angew Mathemat, D-37077 Gottingen, Germany. [Mekuria, R. R.] Univ Witwatersrand, ZA-2000 Johannesburg, South Africa. [Aspden, A. J.] Cranfield Univ, Sch Engn, Cranfield MK43 0AL, Beds, England. RP Schmidt, W (reprint author), Univ Gottingen, Inst Astrophys, Friedrich Hund Pl 1, D-37077 Gottingen, Germany. EM schmidt@astro.physik.uni-goettingen.de RI Aspden, Andy/A-7391-2017; OI Aspden, Andy/0000-0002-2970-4824; Niemeyer, Jens/0000-0002-3063-4325 FU German Research Council; Faculty of Physics in Gottingen; SciDAC Programme; Applied Mathematics Programme of the U.S. Department of Energy [DE-AC02-05CH11231]; HLRN [nip00020] FX We thank Peter Nugent and his team for supporting the development of NYX at the Computational Cosmology Center at LBNL. In particular, we thank Zarija Lukic for the setup of the Santa Barbara cluster. We are indebted to Emmanuel Leveque, who proposed the application of the shear-improved model to treat inhomogeneous turbulence. During a stay at Ecole Normale Superieure de Lyon, WS had the opportunity to discuss this approach in detail. We thank the referee and Andrey Kravtsov for many useful comments and suggestions, which helped to improve this paper. Furthermore, we are grateful for discussions about turbulent magnetic field amplification with Dominik Schleicher. WS, HB, JFE, and JCN acknowledge financial support by the German Research Council and the Faculty of Physics in Gottingen for visits at LBNL. RRM is grateful for an AstroMundus scholarship. The work at LBNL was supported by the SciDAC Programme and the Applied Mathematics Programme of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. The simulations presented in this paper were performed with supercomputing resources of HLRN (project nip00020) and GWDG in Germany. We also acknowledge the yt toolkit by Turk et al. (2011) that was used for our analysis of numerical data. We thank Muhammad Latif for providing scripts for plotting profiles and David Collins for assistance with the computation of Fourier spectra. NR 62 TC 7 Z9 7 U1 0 U2 7 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 JUN PY 2014 VL 440 IS 4 BP 3051 EP 3077 DI 10.1093/mnras/stu501 PG 27 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH6AT UT WOS:000336213800015 ER PT J AU Rangel, C Nandra, K Barro, G Brightman, M Hsu, L Salvato, M Koekemoer, AM Brusa, M Laird, ES Trump, JR Croton, DJ Koo, DC Kocevski, D Donley, JL Hathi, NP Peth, M Faber, SM Mozena, M Grogin, NA Ferguson, HC Lai, K AF Rangel, C. Nandra, K. Barro, G. Brightman, M. Hsu, L. Salvato, M. Koekemoer, A. M. Brusa, M. Laird, E. S. Trump, J. R. Croton, D. J. Koo, D. C. Kocevski, D. Donley, J. L. Hathi, N. P. Peth, M. Faber, S. M. Mozena, M. Grogin, N. A. Ferguson, H. C. Lai, K. TI Evidence for two modes of black hole accretion in massive galaxies at z similar to 2 SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: active; galaxies: evolution; galaxies: nuclei; galaxies: star formation; X-rays: galaxies ID ACTIVE GALACTIC NUCLEI; PASSIVELY EVOLVING GALAXIES; COMPACT QUIESCENT GALAXIES; STAR-FORMING GALAXIES; EXTRAGALACTIC LEGACY SURVEY; HUBBLE-SPACE-TELESCOPE; GOODS NICMOS SURVEY; ULTRA-DEEP-FIELD; YALE-CHILE MUSYC; ELLIPTIC GALAXIES AB We investigate the relationship between active galactic nucleus (AGN) activity and host galaxy properties using a sample of massive galaxies at z similar to 2 in the Chandra Deep Field-South (CDFS). Asample of 268 galaxies with M-* > 10(10.5)M(circle dot) at 1.4 < z < 3 are selected from Hubble Space Telescope wide field camera 3 (WFC3) H-band observations in CDFS taken as part of the cosmic assembly near-infrared deep extragalactic legacy survey (CANDELS) survey. We find that a large fraction (22.0 +/- 2.5 per cent) are detected in the 4 Ms Chandra/Advanced CCD Image Spectrometer observations in the field, implying a high AGN content in these massive galaxies. To investigate further the relationship between these AGN and their hosts, we create four subsamples, based on their star formation rates (star-forming versus quiescent) and galaxy size (compact versus extended), following Barro et al. and perform X-ray spectral fitting. We find a clear effect whereby the AGN in compact galaxies - be they star forming or quiescent - show significantly higher luminosities and levels of obscuration than the AGN in extended galaxies. These results provide clear evidence for two modes of black hole growth in massive galaxies at high redshift. The dominant growth mode is a luminous, obscured phase which occurs overwhelmingly in compact galaxies while another lower luminosity, unobscured phase is predominantly seen in extended galaxies. Both modes could produce AGN feedback, with violent transformative feedback in the former and a gentler 'maintenance mode' produced by the latter. C1 [Rangel, C.; Laird, E. S.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Astrophys Grp, London SW7 2AZ, England. [Nandra, K.; Brightman, M.; Hsu, L.; Salvato, M.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Barro, G.; Trump, J. R.; Koo, D. C.; Faber, S. M.; Mozena, M.; Lai, K.] Univ Calif Santa Cruz, Lick Observ, Univ Calif Observ, Santa Cruz, CA 92093 USA. [Barro, G.; Trump, J. R.; Koo, D. C.; Faber, S. M.; Mozena, M.; Lai, K.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 92093 USA. [Koekemoer, A. M.; Grogin, N. A.; Ferguson, H. C.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Brusa, M.] Univ Bologna, Dipartimento Fis & Astron, Bologna, Italy. [Croton, D. J.] Swinburne Univ Technol, Ctr Astrophys & Supercomp, Hawthorn, Vic 3122, Australia. [Kocevski, D.] Univ Kentucky, Lexington, KY 40508 USA. [Donley, J. L.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Hathi, N. P.] Observ Carnegie Inst Washington, Pasadena, CA 91101 USA. [Peth, M.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. RP Rangel, C (reprint author), Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Astrophys Grp, Prince Consort Rd, London SW7 2AZ, England. EM cyprian.rangel@imperial.ac.uk RI Hathi, Nimish/J-7092-2014; OI Hathi, Nimish/0000-0001-6145-5090; Koekemoer, Anton/0000-0002-6610-2048 FU STFC; NASA [NAS5-26555]; NASA HST [GO-12060.10-A]; NSF [AST-0808133] FX CR acknowledges the financial support of STFC. This work is based on observations taken by the CANDELS Multi-Cycle Treasury Program with the NASA/ESA HST, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS5-26555. This research has made use of software provided by the Chandra X-ray Center (CXC) in the application package CIAO. Authors from UCSC acknowledge support from NASA HST grant GO-12060.10-A and NSF grant AST-0808133. NR 114 TC 5 Z9 5 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 JUN PY 2014 VL 440 IS 4 BP 3630 EP 3644 DI 10.1093/mnras/stu517 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AH6AT UT WOS:000336213800056 ER PT J AU Lekberg, Y Gibbons, SM Rosendahl, S AF Lekberg, Ylva Gibbons, Sean M. Rosendahl, Soren TI Will different OTU delineation methods change interpretation of arbuscular mycorrhizal fungal community patterns? SO NEW PHYTOLOGIST LA English DT Article DE 454-Titanium sequencing; arbuscular mycorrhizal fungi (AMF); monophyletic clade; operational taxonomic unit (OTU) delineation; QIIME; universal threshold ID DIVERSITY; ABUNDANCE C1 [Lekberg, Ylva; Gibbons, Sean M.] MPG Ranch, Missoula, MT 59801 USA. [Lekberg, Ylva] Univ Montana, Dept Ecosyst & Conservat Sci, Missoula, MT 59812 USA. [Gibbons, Sean M.] Univ Chicago, Grad Program Biophys Sci, Chicago, IL 60637 USA. [Gibbons, Sean M.] Argonne Natl Lab, Inst Genom & Syst Biol, Lemont, IL 60439 USA. [Rosendahl, Soren] Univ Copenhagen, Dept Biol, DK-2100 Copenhagen, Denmark. RP Lekberg, Y (reprint author), MPG Ranch, Missoula, MT 59801 USA. EM ylekberg@mpgranch.com RI Rosendahl, Soren/F-4461-2014; OI Rosendahl, Soren/0000-0001-5202-6585; Gibbons, Sean/0000-0002-8724-7916 NR 30 TC 21 Z9 22 U1 5 U2 59 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0028-646X EI 1469-8137 J9 NEW PHYTOL JI New Phytol. PD JUN PY 2014 VL 202 IS 4 BP 1101 EP 1104 DI 10.1111/nph.12758 PG 4 WC Plant Sciences SC Plant Sciences GA AG5PF UT WOS:000335470200003 PM 24571363 ER PT J AU Lewicki, JP Pielichowski, K Jancia, M Hebda, E Albo, RLF Maxwell, RS AF Lewicki, James P. Pielichowski, Krzysztof Jancia, Malgorzata Hebda, Edyta Albo, Rebecca L. F. Maxwell, Robert S. TI Degradative and morphological characterization of POSS modified nanohybrid polyurethane elastomers SO POLYMER DEGRADATION AND STABILITY LA English DT Article DE Polyurethane; POSS; Thermal degradation; Block copolymers ID POLYHEDRAL OLIGOMERIC SILSESQUIOXANES; THERMAL-PROPERTIES; NANOCOMPOSITES; POLYMERS; NANOFILLER; HYBRIDS AB Reported here is the synthesis and thermal characterization of a series of polyhedral oligomeric silsesquioxane (POSS) modified polyurethane elastomers. A novel polyurethane architecture has been synthesized which incorporates a partially opened POSS-diol cage (disilanolisobutyl POSS) directly into the methylene di-isocyanate/poly(tetramethylene) glycol urethane network as a substitute chain extender moiety without the need for an alkyl tether. The effects of the inclusion of a sterically hindered and rigid silsesquioxane cage structure on both the non-oxidative thermal stability and micro-phase segregated morphology of the resultant polyurethane elastomer have been studied extensively over a range of POSS inclusion levels by means of pyrolysis-gas chromatography/mass spectroscopy (Py-GC/MS) and differential scanning calorimetry (DSC). The results of analytical pyrolysis assays of the polyurethane systems clearly demonstrate that low levels of POSS substitution (<10 wt. %) lead to a significant increase in both the onset temperature of thermal de-polymerization and a reduction in the yield of volatile degradation products. A characterization of the products of degradation demonstrate that the POSS modified elastomers show some subtle differences in thermal degradation mechanism, yielding increased levels of propenal and decreased levels of ethane when compared with an unmodified control. POSS inclusion enhances the hard-block crystallinity at low levels and DSC analysis demonstrates that the peak thermal stability of the systems corresponds with a maximum in hard-block crystallinity (at a level of 4-6 wt. % POSS). At higher mass fractions we observe a breakdown in the phase separation of the systems and a decline in hard-block crystallinity, which correlates with an observed decrease in the primary onset degradation temperature. The major mechanistic pathways of degradation (urethane bond depolymerisation followed by secondary radical degradation of the monomers) have been shown to be insensitive to the presence of POSS in the matrix. Rather, it is physical changes in the morphology of the elastomer systems, as a consequence of POSS inclusion that are responsible for the observed improvements in the thermal stability of these materials. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Lewicki, James P.; Albo, Rebecca L. F.; Maxwell, Robert S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Pielichowski, Krzysztof; Jancia, Malgorzata; Hebda, Edyta] Cracow Univ Technol, Dept Chem & Technol Polymers, PL-31155 Krakow, Poland. RP Lewicki, JP (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM lewicki1@llnl.gov RI Hebda, Edyta/F-7925-2015 FU U.S. Department of Energy [DE-AC52-07NA27344]; National Science Centre in Poland [DEC-2011/02/A/ST8/00409] FX Portions of this work were performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This work has also been partially supported by the National Science Centre in Poland under contract No. DEC-2011/02/A/ST8/00409. NR 30 TC 13 Z9 13 U1 5 U2 61 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0141-3910 EI 1873-2321 J9 POLYM DEGRAD STABIL JI Polym. Degrad. Stabil. PD JUN PY 2014 VL 104 BP 50 EP 56 DI 10.1016/j.polymdegradstab.2014.03.025 PG 7 WC Polymer Science SC Polymer Science GA AH7ZX UT WOS:000336355000007 ER PT J AU Flicker, J Ready, WJ AF Flicker, Jack Ready, W. Jud TI Texturing of polycrystalline photovoltaic materials using vertically aligned carbon nanotube arrays SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE 3D; carbon nanotubes; nanomaterials; photovoltaics; texturing ID SILICON SOLAR-CELLS AB In order to demonstrate that three-dimensional carbon nanotube-based photovoltaic devices show an increase in power output over similar planar cells, we have produced cells with texturing through the use of vertically aligned carbon nanotube arrays and cells without this texturing. The output power of these cells at varying incident angles of light was measured. The textured cells show an increase in the normalized power output compared with similar planar cells when the solar flux is at off-normal angles. The power output versus incident angle curve takes an inverted C-type curve as predicted by the theory developed previously, with very good agreement between experimental results and theoretical predictions. Copyright (c) 2012 John Wiley & Sons, Ltd. C1 [Flicker, Jack] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Ready, W. Jud] Exponent Failure Anal Associates, Atlanta, GA 30326 USA. RP Flicker, J (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM jdflick@sandia.gov NR 18 TC 1 Z9 1 U1 1 U2 16 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1062-7995 EI 1099-159X J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD JUN PY 2014 VL 22 IS 6 BP 634 EP 640 DI 10.1002/pip.2312 PG 7 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AH2JU UT WOS:000335948100003 ER PT J AU Sun, YM Shen, YX Liang, P Zhou, JZ Yang, YF Huang, X AF Sun, Yanmei Shen, Yue-xiao Liang, Peng Zhou, Jizhong Yang, Yunfeng Huang, Xia TI Linkages between microbial functional potential and wastewater constituents in large-scale membrane bioreactors for municipal wastewater treatment SO WATER RESEARCH LA English DT Article DE Membrane bioreactor; Municipal wastewater; GeoChip; Functional genes ID COMMUNITY STRUCTURE; REMOVAL PERFORMANCE; TREATMENT SYSTEMS; BACTERIAL; CHINA; ANTIBIOTICS; SOIL AB Large-scale membrane bioreactors (MBRs) have been widely used for the municipal wastewater treatment, whose performance relies on microbial communities of activated sludge. Nevertheless, microbial functional structures in MBRs remain little understood. To gain insight into functional genes and their steering environmental factors, we adopted GeoChip, a high-throughput microarray-based tool, to examine microbial genes in four large-scale, in-operation MBRs located in Beijing, China. The results revealed substantial microbial gene heterogeneity (43.7-85.1% overlaps) among different MBRs. Mantel tests indicated that microbial nutrient cycling genes were significantly (P<0.05) correlated to influent COD, NH4+-N, TP or sulfate, which signified the importance of microbial mediation of wastewater constituent removal. In addition, functional genes shared by all four MBRs contained a large number of genes involved in antibiotics resistance, metal resistance and organic remediation, suggesting that they were required for degradation or resistance to toxic compounds in wastewater. The linkages between microbial functional structures and environmental variables were also unveiled by the finding of hydraulic retention time, influent COD, NH4+-N, mixed liquid temperature and humic substances as major factors shaping microbial communities. Together, the results presented demonstrate the utility of GeoChip-based microarray approach in examining microbial communities of wastewater treatment plants and provide insights into the forces driving important processes of element cycling. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Sun, Yanmei; Shen, Yue-xiao; Liang, Peng; Zhou, Jizhong; Yang, Yunfeng; Huang, Xia] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Huang, X (reprint author), Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. EM yangyf@tsinghua.edu.cn; xhuang@tsinghua.edu.cn RI Yang, Yunfeng/H-9853-2013; LIANG, PENG/H-2312-2013; Huang, Xia/E-7145-2011 OI Yang, Yunfeng/0000-0001-8274-6196; FU Science Fund for Creative Research Groups [21221004]; Major Science and Technology Program for Water Pollution Control and Treatment [2011ZX07301-002] FX This work was supported by the Science Fund for Creative Research Groups (No.21221004) and the Major Science and Technology Program for Water Pollution Control and Treatment (No.2011ZX07301-002). NR 33 TC 6 Z9 8 U1 8 U2 105 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0043-1354 J9 WATER RES JI Water Res. PD JUN 1 PY 2014 VL 56 BP 162 EP 171 DI 10.1016/j.watres.2014.03.003 PG 10 WC Engineering, Environmental; Environmental Sciences; Water Resources SC Engineering; Environmental Sciences & Ecology; Water Resources GA AH4OZ UT WOS:000336109200016 PM 24675272 ER PT J AU Li, JW Wang, GS Allison, SD Mayes, MA Luo, YQ AF Li, Jianwei Wang, Gangsheng Allison, Steven D. Mayes, Melanie A. Luo, Yiqi TI Soil carbon sensitivity to temperature and carbon use efficiency compared across microbial-ecosystem models of varying complexity SO BIOGEOCHEMISTRY LA English DT Article DE Warming; Soil organic matter decomposition; First-order decay model; Microbial-enzyme model; Carbon use efficiency; Temperature threshold ID ORGANIC-MATTER; NITROGEN INTERACTIONS; THERMAL-ACCLIMATION; CYCLE FEEDBACKS; CLIMATE; RESPIRATION; DECOMPOSITION; BACTERIAL; STOICHIOMETRY; RESPONSES AB Global ecosystem models may require microbial components to accurately predict feedbacks between climate warming and soil decomposition, but it is unclear what parameters and levels of complexity are ideal for scaling up to the globe. Here we conducted a model comparison using a conventional model with first-order decay and three microbial models of increasing complexity that simulate short- to long-term soil carbon dynamics. We focused on soil carbon responses to microbial carbon use efficiency (CUE) and temperature. Three scenarios were implemented in all models: constant CUE (held at 0.31), varied CUE (-0.016 A degrees C-1), and 50 % acclimated CUE (-0.008 A degrees C-1). Whereas the conventional model always showed soil carbon losses with increasing temperature, the microbial models each predicted a temperature threshold above which warming led to soil carbon gain. The location of this threshold depended on CUE scenario, with higher temperature thresholds under the acclimated and constant scenarios. This result suggests that the temperature sensitivity of CUE and the structure of the soil carbon model together regulate the long-term soil carbon response to warming. Equilibrium soil carbon stocks predicted by the microbial models were much less sensitive to changing inputs compared to the conventional model. Although many soil carbon dynamics were similar across microbial models, the most complex model showed less pronounced oscillations. Thus, adding model complexity (i.e. including enzyme pools) could improve the mechanistic representation of soil carbon dynamics during the transient phase in certain ecosystems. This study suggests that model structure and CUE parameterization should be carefully evaluated when scaling up microbial models to ecosystems and the globe. C1 [Li, Jianwei; Luo, Yiqi] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Wang, Gangsheng; Mayes, Melanie A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Wang, Gangsheng; Mayes, Melanie A.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Allison, Steven D.] Univ Calif Irvine, Dept Ecol & Evolutionary Biol, Irvine, CA 92697 USA. [Allison, Steven D.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. RP Li, JW (reprint author), Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. EM jianweili.2@gmail.com RI Allison, Steven/E-2978-2010 OI Allison, Steven/0000-0003-4629-7842 FU US National Science Foundation (NSF) grants [DBI 0850290, EPS 0919466, DEB 0743778, DEB 0840964, EF 1137293, EF 0928388]; Laboratory Directed Research and Development (LDRD) Program of the Oak Ridge National Laboratory (ORNL); U.S. Department of Energy Biological and Environmental Research program; U.S. Department of Energy [DE-AC05-00OR22725] FX We thank two anonymous reviewers for their valuable and insightful comments. This research was funded by US National Science Foundation (NSF) grants DBI 0850290, EPS 0919466, DEB 0743778, DEB 0840964, EF 1137293, and EF 0928388 and was also funded in part by the Laboratory Directed Research and Development (LDRD) Program of the Oak Ridge National Laboratory (ORNL) and by the U.S. Department of Energy Biological and Environmental Research program. ORNL is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. Part of the model runs were performed at the Supercomputing Center for Education & Research (OSCER), University of Oklahoma. This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 45 TC 27 Z9 27 U1 10 U2 119 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0168-2563 EI 1573-515X J9 BIOGEOCHEMISTRY JI Biogeochemistry PD JUN PY 2014 VL 119 IS 1-3 BP 67 EP 84 DI 10.1007/s10533-013-9948-8 PG 18 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA AH3MR UT WOS:000336028400006 ER PT J AU Kumagai, A Kawamura, S Lee, SH Endo, T Rodriguez, M Mielenz, JR AF Kumagai, Akio Kawamura, Shunsuke Lee, Seung-Hwan Endo, Takashi Rodriguez, Miguel, Jr. Mielenz, Jonathan R. TI Simultaneous saccharification and fermentation and a consolidated bioprocessing for Hinoki cypress and Eucalyptus after fibrillation by steam and subsequent wet-disk milling SO BIORESOURCE TECHNOLOGY LA English DT Article DE Steam treatment; Wet disk milling; Simultaneous saccharification and fermentation; Consolidated bioprocessing; Enzymatic saccharification ID HOT-COMPRESSED WATER; BIOETHANOL PRODUCTION PROCESS; ENZYMATIC-HYDROLYSIS; RICE STRAW; CLOSTRIDIUM-THERMOCELLUM; LIGNOCELLULOSIC BIOMASS; SULFURIC-ACID; PRETREATMENT; CELLULOSE; ETHANOL AB An advanced pretreatment method that combines steam treatment (ST) with wet disk milling (WDM) was evaluated using two different species of woods, viz., Hinoki cypress (softwood) and Eucalyptus (hardwood). Bioconversion of the pretreated products was performed using enzymatic saccharification via a commercial cellulase mixture and two types of fermentation processing, i.e., yeast-based simultaneous saccharification and fermentation (SSF) and Clostridium thermocellum-based consolidated bioprocessing (CBP). A higher yield of glucose was obtained in the enzymatic saccharification and fermentation products from SSF and CBP with pretreatment consisting of WDM after ST, as compared to either ST or WDM alone. Maximum ethanol production via SSF and CBP were 359.3 and 79.4 mg/g-cellulose from Hinoki cypress, and 299.5 and 73.1 mg/g-cellulose from Eucalyptus, respectively. While the main fermentation product generated in CBP was acetate, the total products yield was 319.9 and 262.0 mg/g-cellulose from Hinoki cypress and Eucalyptus, respectively. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Kumagai, Akio; Kawamura, Shunsuke; Lee, Seung-Hwan; Endo, Takashi] Natl Inst Adv Ind Sci & Technol, Biomass Refinery Res Ctr, Higashihiroshima, Hiroshima 7370046, Japan. [Lee, Seung-Hwan] Kangwon Natl Univ, Coll Forest & Environm Sci, Dept Forest Biomat Engn, Chunchon 200701, South Korea. [Rodriguez, Miguel, Jr.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Mielenz, Jonathan R.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Endo, T (reprint author), Natl Inst Adv Ind Sci & Technol, Biomass Refinery Res Ctr, 3-11-32 Kagamiyama, Higashihiroshima, Hiroshima 7370046, Japan. EM t-endo@aist.go.jp; biofuels4me@gmail.com RI Kumagai, Akio/L-5649-2016 OI Kumagai, Akio/0000-0002-5185-2145 FU Japan-U.S. cooperation project for research and standardization of Clean Energy Technologies; Bioenergy Science Center (BESC); Office of Biological and Environmental Research in the DOE Office of Science under a U.S. Government [DE-AC05-00OR22725] FX This work was supported by Japan-U.S. cooperation project for research and standardization of Clean Energy Technologies. A portion of this work was conducted in the Oak Ridge National Laboratory in Oak Ridge, TN, USA, in laboratories supported by the Bioenergy Science Center (BESC) which is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science under a U.S. Government contract DE-AC05-00OR22725. NR 35 TC 5 Z9 7 U1 0 U2 36 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 EI 1873-2976 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD JUN PY 2014 VL 162 BP 89 EP 95 DI 10.1016/j.biortech.2014.03.110 PG 7 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA AH1VO UT WOS:000335909700012 PM 24747386 ER PT J AU Gao, XD Kumar, R Wyman, CE AF Gao, Xiadi Kumar, Rajeev Wyman, Charles E. TI Fast Hemicellulose Quantification Via a Simple One- Step Acid Hydrolysis SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE hemicellulose; acid hydrolysis; quantification; one-step; biomass ID CELLULOSIC ETHANOL; BIOMASS; GLUCURONOXYLAN; PRETREATMENT; BIOFUELS; PLANTS AB As the second most common polysaccharides in nature, hemicellulose has received much attention in recent years for its importance in biomass conversion in terms of producing high yields of fermentable sugars and value-added products, as well as its role in reducing biomass recalcitrance. Therefore, a time and labor efficient method that specifically analyzes hemicellulose content would be valuable to facilitate the screening of biomass feedstocks. In this study, a one-step acid hydrolysis method was developed, which applied 4wt% sulfuric acid at 121 degrees C for 1h to rapidly quantify XGM (xylan+galactan+mannan) contents in various types of lignocellulosic biomass and model hemicelluloses. This method gave statistically identical results in XGM contents compared to results from conventional two-step acid hydrolysis while significantly shortening analysis time. Biotechnol. Bioeng. 2014;111: 1088-1096. (c) 2014 Wiley Periodicals, Inc. C1 [Gao, Xiadi; Kumar, Rajeev; Wyman, Charles E.] Univ Calif Riverside, Bourns Coll Engn, Dept Chem & Environm Engn, Riverside, CA 92507 USA. [Gao, Xiadi; Kumar, Rajeev; Wyman, Charles E.] Univ Calif Riverside, Bourns Coll Engn, Ctr Environm Res & Technol, Riverside, CA 92507 USA. [Gao, Xiadi; Kumar, Rajeev; Wyman, Charles E.] Oak Ridge Natl Lab, BioEnergy Sci Ctr BESC, Oak Ridge, TN 37831 USA. RP Wyman, CE (reprint author), Univ Calif Riverside, Bourns Coll Engn, Dept Chem & Environm Engn, 1084 Columbia Ave, Riverside, CA 92507 USA. EM charles.wyman@ucr.edu OI Kumar, Rajeev/0000-0001-7523-0108 FU Office of Biological and Environmental Research FX Contract grant sponsor: Office of Biological and Environmental Research NR 32 TC 3 Z9 3 U1 2 U2 36 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 JUN PY 2014 VL 111 IS 6 BP 1088 EP 1096 DI 10.1002/bit.25174 PG 9 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AG1DC UT WOS:000335154300005 PM 24343864 ER PT J AU Liu, HH AF Liu, Hui-Hai TI A thermodynamic hypothesis regarding optimality principles for flow processes in geosystems SO CHINESE SCIENCE BULLETIN LA English DT Article DE Unsaturated flow; Minimization of energy expenditure rate; Maximum entropy production ID CLIMATE; DISSIPATION; ENERGY AB This paper proposes a new thermodynamic hypothesis that states that a nonlinear natural system that is not isolated and involves positive feedbacks tends to minimize its resistance to the flow process through it that is imposed by its environment. We demonstrate that the hypothesis is consistent with flow behavior in saturated and unsaturated porous media, river basins, and the Earth-atmosphere system. While optimization for flow processes has been previously discussed by a number of researchers in the literature, the unique contribution of this work is to indicate that only the driving process is subject to optimality when multiple flow processes are simultaneously involved in a system. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Liu, HH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM hhliu@lbl.gov FU U.S. Department of Energy (DOE) [DE-AC02-05CH11231] FX We are indebted to Drs. Lianchong Li and Dan Hawkes at Lawrence Berkeley National Laboratory for their critical and careful review of a preliminary version of this manuscript. The constructive review comments from Dr. John Nimmo, the other anonymous reviewer, and the Associated Editor are appreciated. This work was supported by the U.S. Department of Energy (DOE), under DOE Contract No. DE-AC02-05CH11231. NR 19 TC 0 Z9 0 U1 1 U2 5 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 1001-6538 EI 1861-9541 J9 CHINESE SCI BULL JI Chin. Sci. Bull. PD JUN PY 2014 VL 59 IS 16 BP 1880 EP 1884 DI 10.1007/s11434-014-0302-x PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AG8HG UT WOS:000335658800014 ER PT J AU Sarathy, SM Javed, T Karsenty, F Heufer, A Wang, W Park, S Elwardany, A Farooq, A Westbrook, CK Pitz, WJ Oehlschlaeger, MA Dayma, G Curran, HJ Dagaut, P AF Sarathy, S. Mani Javed, Tamour Karsenty, Florent Heufer, Alexander Wang, Weijing Park, Sungwoo Elwardany, Ahmed Farooq, Aamir Westbrook, Charles K. Pitz, William J. Oehlschlaeger, Matthew A. Dayma, Guillaume Curran, Henry J. Dagaut, Philippe TI A comprehensive combustion chemistry study of 2,5-dimethylhexane SO COMBUSTION AND FLAME LA English DT Article DE Chemical kinetic modeling; Shock tube; Jet stirred reactor; Rapid compression machine; Ignition delay; Branched hydrocarbons ID JET-STIRRED REACTOR; PRESSURE RATE RULES; LOW-TEMPERATURES; THERMODYNAMIC PROPERTIES; MIXTURE OXIDATION; RAPID COMPRESSION; RCM EXPERIMENTS; SHOCK-TUBE; ISOMERS; IGNITION AB Iso-paraffinic molecular structures larger than seven carbon atoms in chain length are commonly found in conventional petroleum, Fischer-Tropsch (FT), and other alternative hydrocarbon fuels, but little research has been done on their combustion behavior. Recent studies have focused on either mono-methylated alkanes and/or highly branched compounds (e.g., 2,2,4-trimethylpentane). In order to better understand the combustion characteristics of real fuels, this study presents new experimental data for the oxidation of 2,5-dimethylhexane under a wide variety of temperature, pressure, and equivalence ratio conditions. This new dataset includes jet stirred reactor speciation, shock tube ignition delay, and rapid compression machine ignition delay, which builds upon recently published data for counterflow flame ignition, extinction, and speciation profiles. The low and high temperature oxidation of 2,5-dimethylhexane has been simulated with a comprehensive chemical kinetic model developed using established reaction rate rules. The agreement between the model and data is presented, along with suggestions for improving model predictions. The oxidation behavior of 2,5-dimethylhexane is compared with oxidation of other octane isomers to confirm the effects of branching on low and intermediate temperature fuel reactivity. The model is used to elucidate the structural features and reaction pathways responsible for inhibiting the reactivity of 2,5-dimethylhexane. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Sarathy, S. Mani; Javed, Tamour; Park, Sungwoo; Elwardany, Ahmed; Farooq, Aamir] King Abdullah Univ Sci & Technol, Div Phys Sci & Engn, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia. [Karsenty, Florent; Dayma, Guillaume; Dagaut, Philippe] CNRS INSIS, Orleans 2, France. [Heufer, Alexander] Natl Univ Ireland Galway, Sch Chem, Combust Chem Ctr, Galway, Ireland. [Wang, Weijing; Oehlschlaeger, Matthew A.] Rensselaer Polytech Inst, Troy, NY USA. [Westbrook, Charles K.; Pitz, William J.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Sarathy, SM (reprint author), King Abdullah Univ Sci & Technol, Div Phys Sci & Engn, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia. EM mani.sarathy@kaust.edu.sa RI Dagaut, Philippe/C-1709-2008; Heufer, Karl Alexander/O-3892-2014; Farooq, Aamir/B-2550-2013; Sarathy, S. Mani/M-5639-2015; OI Dagaut, Philippe/0000-0003-4825-3288; Dayma, Guillaume/0000-0003-2761-657X; Farooq, Aamir/0000-0001-5296-2197; Sarathy, S. Mani/0000-0002-3975-6206; Elwardany, Ahmed/0000-0002-2536-2089; Park, Sungwoo/0000-0002-2800-1908; Curran, Henry/0000-0002-5124-8562 FU Clean Combustion Research Center; Saudi Aramco under the FUELCOM program; U.S. Air Force Office of Scientific Research [FA9550-11-1-0261]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; US Department of Energy, Office of Vehicle Technologies; European Research Council under the European Community's Seventh Framework Programme/ERC [291049 - 2G-CSafe] FX The work at KAUST was funded by the Clean Combustion Research Center and by Saudi Aramco under the FUELCOM program. The Rensselaer group was supported by the U.S. Air Force Office of Scientific Research (Grant No. FA9550-11-1-0261) with Dr. Chiping Li as technical monitor. The LLNL work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by the US Department of Energy, Office of Vehicle Technologies. At CNRS, the research leading to these results has received funding from the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013)/ERC Grant agreement no 291049 - 2G-CSafe. NR 51 TC 27 Z9 27 U1 3 U2 30 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD JUN PY 2014 VL 161 IS 6 BP 1444 EP 1459 DI 10.1016/j.combustflame.2013.12.010 PG 16 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AG9BP UT WOS:000335713900003 ER PT J AU Darcy, D Nakamura, H Tobin, CJ Mehl, M Metcalfe, WK Pitz, WJ Westbrook, CK Curran, HJ AF Darcy, Daniel Nakamura, Hisashi Tobin, Colin J. Mehl, Marco Metcalfe, Wayne K. Pitz, William J. Westbrook, Charles K. Curran, Henry J. TI An experimental and modeling study of surrogate mixtures of n-propyl- and n-butylbenzene in n-heptane to simulate n-decylbenzene ignition SO COMBUSTION AND FLAME LA English DT Article DE Rapid compression machine; Shock tube; Ignition; n-Propylbenzene; n-Butylbenzene; Heptane ID RAPID COMPRESSION MACHINE; PRESSURE SHOCK-TUBE; HIGH-TEMPERATURE AUTOIGNITION; AUTO-IGNITION; HCCI COMBUSTION; DELAY TIMES; PROPYLBENZENE OXIDATION; CONTROLLABLE EGR; PREMIXED FLAMES; REFERENCE FUELS AB This paper presents experimental data for the oxidation of two surrogates for the large alkylbenzene class of compounds contained in diesel fuels, namely n-decylbenzene. A 57:43 molar% mixture of n-propylbenzene:n-heptane in air (21% O-2, 79% N-2) was used in addition to a 64:36 molar% mixture of n-butylbenzene:36% n-heptane in air. These mixtures were designed to contain a similar carbon/hydrogen ratio, molecular weight and aromatic/alkane ratio when compared to n-decylbenzene. Nominal equivalence ratios of 0.3, 0.5, 1.0 and 2.0 were used. Ignition times were measured at 1 atm in the shock tube and at pressures of 10,30 and 50 atm in both the shock tube and in the rapid compression machine. The temperature range studied was from approximately 650-1700 K. The effects of reflected shock pressure and equivalence ratio on ignition delay time were determined and common trends highlighted. It was noted that both mixtures showed similar reactivity throughout the temperature range studied. A reaction mechanism published previously was used to simulate this data. Overall the reaction mechanism captures the experimental data reasonably successfully with a variation of approximately a factor of 2 for mixtures at 10 atm and fuel-rich and stoichiometric conditions. (C) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Darcy, Daniel; Nakamura, Hisashi; Tobin, Colin J.; Metcalfe, Wayne K.; Curran, Henry J.] NUI Galway, Combust Chem Ctr, Galway, Ireland. [Nakamura, Hisashi] Tohoku Univ, Inst Fluid Sci, Aoba Ku, Sendai, Miyagi 9808577, Japan. [Mehl, Marco; Pitz, William J.; Westbrook, Charles K.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Curran, HJ (reprint author), NUI Galway, Sch Chem, Combust Chem Ctr, Galway, Ireland. EM henry.curran@nuigalway.ie RI Nakamura, Hisashi/D-9595-2012; Mehl, Marco/A-8506-2009; OI Nakamura, Hisashi/0000-0002-3158-370X; Mehl, Marco/0000-0002-2227-5035; Curran, Henry/0000-0002-5124-8562 FU Saudi Aramco; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; US Department of Energy, Office of Vehicle Technologies; Japan Society of the Promotion for Science FX NUIG acknowledge the financial support of Saudi Aramco. The LLNL work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by the US Department of Energy, Office of Vehicle Technologies (program manager Gurpreet Singh). Co-author H.N. acknowledges the financial support from the Japan Society of the Promotion for Science under the "Young Researcher Overseas Visits Program for Vitalizing Brain Circulation". NR 72 TC 9 Z9 9 U1 5 U2 31 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD JUN PY 2014 VL 161 IS 6 BP 1460 EP 1473 DI 10.1016/j.combustflame.2013.12.006 PG 14 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AG9BP UT WOS:000335713900004 ER PT J AU Rabeling, C Bollazzi, M Bacci, M Beasley, RR Lance, SL Jones, KL Pierce, NE AF Rabeling, Christian Bollazzi, Martin Bacci, Mauricio, Jr. Beasley, Rochelle R. Lance, Stacey L. Jones, Kenneth L. Pierce, Naomi E. TI Development and characterization of twenty-two polymorphic microsatellite markers for the leafcutter ant, Acromyrmex lundii, utilizing Illumina sequencing SO CONSERVATION GENETICS RESOURCES LA English DT Article DE Leafcutter ants; Fungus-growing ants; Attini; Acromyrmex; Polygyny; Polyandry; Social parasitism; Microsatellites; Illumina; PAL_FINDER; PCR primers; SSR AB We isolated and characterized a total of 22 microsatellite loci for the leafcutter ant, Acromyrmex lundii. The loci were screened for 24 individuals from southern Brazil and Uruguay. The number of alleles per locus ranged from 5 to 20, the observed heterozygosity ranged from 0.417 to 0.917, and the probability of identity values ranged from 0.011 to 0.38. These genetic markers will be useful for understanding the population and conservation biology of the leafcutter ant A. lundii and closely related species, and will provide novel insights into the evolutionary biology of social parasitism and leafcutter ant mating systems. C1 [Rabeling, Christian; Pierce, Naomi E.] Harvard Univ, Museum Comparat Zool, Cambridge, MA 02138 USA. [Bollazzi, Martin] Univ Republica, Sect Entomol, Montevideo 11200, Uruguay. [Bacci, Mauricio, Jr.] Univ Estadual Paulista, UNESP, Inst Biociencias, Ctr Estudos Insetos Sociais, BR-13506900 Rio Claro, SP, Brazil. [Beasley, Rochelle R.; Lance, Stacey L.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Jones, Kenneth L.] Univ Colorado, Dept Biochem & Mol Genet, Sch Med, Aurora, CO 80045 USA. RP Rabeling, C (reprint author), Harvard Univ, Museum Comparat Zool, 26 Oxford St, Cambridge, MA 02138 USA. EM crabeling@gmail.com RI Lance, Stacey/K-9203-2013; Beasley, Rochelle/M-1396-2015 OI Lance, Stacey/0000-0003-2686-1733; Beasley, Rochelle/0000-0001-7325-4085 FU Harvard Society; William F. Milton Fund; FAPESP [2011/50226-0]; PROPE-UNESP; NSF [SES-0750480]; DOE [DE-FC09-07SR22506] FX We thank the Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), the Instituto Brasileiro do Meio Ambiente e dos Recursos Naturais Renovaveis (IBAMA), and the Direccion General de Recursos Naturales Renovables for permission to conduct fieldwork in Brazil and Uruguay. CR gratefully acknowledges financial support provided by the Harvard Society of Fellows and the William F. Milton Fund. MB's and CR's field research was support by FAPESP Grant 2011/50226-0 and by PROPE-UNESP. NEP was supported by NSF SES-0750480. Manuscript preparation was partially supported by the DOE under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. NR 5 TC 2 Z9 2 U1 0 U2 17 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1877-7252 EI 1877-7260 J9 CONSERV GENET RESOUR JI Conserv. Genet. Resour. PD JUN PY 2014 VL 6 IS 2 BP 319 EP 322 DI 10.1007/s12686-013-0078-3 PG 4 WC Biodiversity Conservation; Genetics & Heredity SC Biodiversity & Conservation; Genetics & Heredity GA AH2OA UT WOS:000335959600019 ER PT J AU Winans, GA Baker, JD Lance, SL AF Winans, Gary A. Baker, Jon D. Lance, Stacey L. TI Twenty-five novel microsatellite markers for English sole, Parophrys vetulus SO CONSERVATION GENETICS RESOURCES LA English DT Article DE Parophrys vetulus; Microsatellite; Illumina; Pal_finder; SSR; Population markers AB Although English sole Parophrys vetulus has been used extensively as a bioindicator of anthropogenic pollution in the US Pacific Northwest, little is known about its genetic population structure. We isolated and characterized a total of 25 microsatellite loci from 23 individuals from Whidbey Island, Washington. The number of alleles per locus ranged from 5 to 19, observed heterozygosity ranged 0.091-0.957, and the probability of identity values ranged from 0.009 to 0.157. These new loci will be used to study genetic variability within and among populations in the Salish Sea (Puget Sound and Strait of Georgia) to help monitor effects of near shore urbanization, and establish and monitor marine protected areas. C1 [Winans, Gary A.] NOAA, NW Fisheries Sci Ctr, Seattle, WA 98112 USA. [Baker, Jon D.] Douglas Salmometr, Mukilteo, WA 98275 USA. [Lance, Stacey L.] Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Winans, GA (reprint author), NOAA, NW Fisheries Sci Ctr, Seattle, WA 98112 USA. EM gary.winans@noaa.gov RI Lance, Stacey/K-9203-2013 OI Lance, Stacey/0000-0003-2686-1733 FU Department of Energy [DE-FC09-07SR22506] FX Manuscript preparation was partially supported by the Department of Energy under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. Tissues were collected under permit Washington Department of Fish and Wildlife 11-289. Thanks to P. Chittaro for assistance in the field. NR 4 TC 0 Z9 0 U1 0 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1877-7252 EI 1877-7260 J9 CONSERV GENET RESOUR JI Conserv. Genet. Resour. PD JUN PY 2014 VL 6 IS 2 BP 417 EP 419 DI 10.1007/s12686-013-0107-2 PG 3 WC Biodiversity Conservation; Genetics & Heredity SC Biodiversity & Conservation; Genetics & Heredity GA AH2OA UT WOS:000335959600043 ER PT J AU Sack, AL Sharma, S AF Sack, Andrea L. Sharma, Shikha TI A multi-isotope approach for understanding sources of water, carbon and sulfur in natural springs of the Central Appalachian region SO ENVIRONMENTAL EARTH SCIENCES LA English DT Article DE Natural springs; Recharge; Stable isotopes; Water-rock interaction ID ACID-MINE DRAINAGE; STABLE-ISOTOPES; DELTA-D; GEOCHEMISTRY; GROUNDWATER; SULFATE; OXYGEN; BASIN; FIELD; USA AB Natural springs have been reliable sources of domestic water and have allowed for the development of recreational facilities and resorts in the Central Appalachians. The structural history of this area is complex and it is unknown whether these natural springs receive significant recharge from modern precipitation or whether they discharge old water recharged over geological times scales. The main objective of this study was to use stable isotopes of water ( and ), dissolved inorganic carbon () and dissolved sulfate ( and ) to delineate sources of water, carbon and sulfur in several natural springs of the region. Our preliminary isotope data indicate that all springs are being recharged by modern precipitation. The oxygen isotope composition indicates that waters in thermal springs did not encounter the high temperatures required for O isotope exchange between the water and silicate/carbonate minerals, and/or the residence time of water in the aquifers was short due to high flow rates. The carbon isotopic composition of dissolved inorganic carbon and sulfur/oxygen isotopic composition of dissolved sulfate provide evidence of low-temperature water-rock interactions and various biogeochemical transformations these waters have undergone along their flow path. C1 [Sack, Andrea L.; Sharma, Shikha] W Virginia Univ, Dept Geol & Geog, Morgantown, WV 26505 USA. [Sack, Andrea L.; Sharma, Shikha] Reg Univ Alliance, Natl Energy Technol Lab, Pittsburgh, PA USA. RP Sharma, S (reprint author), W Virginia Univ, Dept Geol & Geog, Beechurst Ave, Morgantown, WV 26505 USA. EM shikha.sharma@mail.wvu.edu FU collaborative initiative of National Energy Technology Laboratory's Regional University Alliance (NETL-RUA), under the RES [DE-FE0004000] FX This research was performed as part of the collaborative initiative of National Energy Technology Laboratory's Regional University Alliance (NETL-RUA), under the RES contract DE-FE0004000. J. Moore is acknowledged for help in sampling and sharing some of his thesis geochemical data. The isotopic data presented in the paper is part of bigger ongoing collaborative project with Drs.' D. Vesper, H. Edenborn, A. Hartsock, R. Capo and B. Stewart. The study design and sampling were made possible by their prior knowledge of these sites. We thank two anonymous reviewers for their comments and suggestions. NR 33 TC 0 Z9 0 U1 2 U2 19 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1866-6280 EI 1866-6299 J9 ENVIRON EARTH SCI JI Environ. Earth Sci. PD JUN PY 2014 VL 71 IS 11 BP 4715 EP 4724 DI 10.1007/s12665-013-2862-5 PG 10 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA AG9QK UT WOS:000335754100009 ER PT J AU Mora-Gutierrez, A Attaie, R Kirven, JM Farrell, HM AF Mora-Gutierrez, Adela Attaie, Rahmat Kirven, Jeneanne M. Farrell, Harold M., Jr. TI Cross-linking of bovine and caprine caseins by microbial transglutaminase and their use as microencapsulating agents for n-3 fatty acids SO INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY LA English DT Article DE microbial transglutaminase; Algae oil; bovine casein; n-3 fatty acids; microencapsulation; caprine casein; oxidative stability ID IN-WATER EMULSIONS; SOY PROTEIN ISOLATE; OXIDATIVE STABILITY; EMULSIFYING PROPERTIES; ANTIOXIDANT ACTIVITY; LIPID OXIDATION; OIL; MILK; EMULSIFIERS; POLYMERIZATION AB Bovine and caprine caseins were cross-linked with microbial transglutaminase (mTG). The mTG-cross-linked bovine or caprine casein dispersion, mixed with 14.5% maltodextrin (DE=40), was used to prepare emulsions with 10.5% algae oil. Oxidative stability of emulsions was evaluated by peroxide values (PVs) and anisidine values. Adding liposoluble rosemary extract rich in carnosic acid and delta-tocopherol lowered the formation of hydroperoxides and their subsequent decomposition products in emulsions. Emulsions stabilised with liposoluble rosemary extract rich in carnosic acid and delta-tocopherol were spray-dried at 180/95 degrees C. Algae oil microencapsulated with mTG-cross-linked bovine casein reduced PV by approximate to 34%, while the algae oil microencapsulated with mTG-cross-linked caprine casein with low levels of alpha(s1)-casein reduced PV by approximate to 42% at 4weeks of storage at 30 degrees C. The investigation suggests that liposoluble rosemary extract rich in carnosic acid and delta-tocopherol effectively protected algae oil during the coating process with mTG-cross-linked bovine and caprine caseins. The above results clearly indicated that the choice of milk caseins (bovine vs. caprine) cross-linked with mTG impacts the oxidative stability of spray-dried algae oil emulsions (microcapsules) enriched with n-3 fatty acids. C1 [Mora-Gutierrez, Adela; Attaie, Rahmat; Kirven, Jeneanne M.] Prairie View A&M Univ, Cooperat Agr Ctr, Prairie View, TX 77446 USA. [Farrell, Harold M., Jr.] ARS, Eastern Reg Res Ctr, US DOE, Wyndmoor, PA 19038 USA. RP Mora-Gutierrez, A (reprint author), Prairie View A&M Univ, Cooperat Agr Ctr, Prairie View, TX 77446 USA. EM admora@pvamu.edu FU Evans-Allen through the United States Department of Agriculture/Cooperative State Research Service FX This work was supported by Evans-Allen funding through the United States Department of Agriculture/Cooperative State Research Service. NR 58 TC 2 Z9 2 U1 1 U2 20 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0950-5423 EI 1365-2621 J9 INT J FOOD SCI TECH JI Int. J. Food Sci. Technol. PD JUN PY 2014 VL 49 IS 6 BP 1530 EP 1543 DI 10.1111/ijfs.12450 PG 14 WC Food Science & Technology SC Food Science & Technology GA AH2GX UT WOS:000335940600013 ER PT J AU Eraso, JM Markillie, LM Mitchell, HD Taylor, RC Orr, G Margolin, W AF Eraso, Jesus M. Markillie, Lye M. Mitchell, Hugh D. Taylor, Ronald C. Orr, Galya Margolin, William TI The Highly Conserved MraZ Protein Is a Transcriptional Regulator in Escherichia coli SO JOURNAL OF BACTERIOLOGY LA English DT Article ID CELL-DIVISION GENES; ADDICTION ANTIDOTE MAZE; DNA-BINDING DOMAIN; BACILLUS-SUBTILIS; CRYSTAL-STRUCTURE; DCW CLUSTER; RHODOBACTER-SPHAEROIDES; ENVELOPE BIOSYNTHESIS; RIBOSOMAL-RNA; SEPTAL RING AB The mraZ and mraW genes are highly conserved in bacteria, both in sequence and in their position at the head of the division and cell wall (dcw) gene cluster. Located directly upstream of the mraZ gene, the P-mra promoter drives the transcription of mraZ and mraW, as well as many essential cell division and cell wall genes, but no regulator of P-mra has been found to date. Although MraZ has structural similarity to the AbrB transition state regulator and the MazE antitoxin and MraW is known to methylate the 16S rRNA, mraZ and mraW null mutants have no detectable phenotypes. Here we show that overproduction of Escherichia coli MraZ inhibited cell division and was lethal in rich medium at high induction levels and in minimal medium at low induction levels. Co-overproduction of MraW suppressed MraZ toxicity, and loss of MraW enhanced MraZ toxicity, suggesting that MraZ and MraW have antagonistic functions. MraZ-green fluorescent protein localized to the nucleoid, suggesting that it binds DNA. Consistent with this idea, purified MraZ directly bound a region of DNA containing three direct repeats between P-mra and the mraZ gene. Excess MraZ reduced the expression of an mraZ-lacZ reporter, suggesting that MraZ acts as a repressor of P-mra, whereas a DNA-binding mutant form of MraZ failed to repress expression. Transcriptome sequencing (RNA-seq) analysis suggested that MraZ also regulates the expression of genes outside the dcw cluster. In support of this, purified MraZ could directly bind to a putative operator site upstream of mioC, one of the repressed genes identified by RNA-seq. C1 [Eraso, Jesus M.; Margolin, William] Univ Texas Houston, Sch Med, Dept Microbiol & Mol Genet, Houston, TX 77030 USA. [Markillie, Lye M.; Mitchell, Hugh D.; Taylor, Ronald C.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Markillie, Lye M.; Mitchell, Hugh D.; Taylor, Ronald C.; Orr, Galya] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. RP Margolin, W (reprint author), Univ Texas Houston, Sch Med, Dept Microbiol & Mol Genet, Houston, TX 77030 USA. EM william.margolin@uth.tmc.edu OI Taylor, Ronald/0000-0001-9777-9767 FU NIH [GM61074] FX A portion of the research described here was performed with 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. The remainder of the research was supported by NIH grant GM61074 to W.M. NR 82 TC 13 Z9 14 U1 3 U2 16 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 EI 1098-5530 J9 J BACTERIOL JI J. Bacteriol. PD JUN PY 2014 VL 196 IS 11 BP 2053 EP 2066 DI 10.1128/JB.01370-13 PG 14 WC Microbiology SC Microbiology GA AH1VM UT WOS:000335909500014 PM 24659771 ER PT J AU Nath, C Voropayev, SI Lord, D Fernando, HJS AF Nath, C. Voropayev, S. I. Lord, D. Fernando, H. J. S. TI Offset Turbulent Jets in Low-Aspect Ratio Cavities SO JOURNAL OF FLUIDS ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article ID CONFINED JET AB The flow induced by a round turbulent offset jet in a low-aspect ratio cylinder is investigated experimentally, with applications to degassing of U.S. Strategic Petroleum Reserves (SPR). Particle image velocimetry and flow visualization are used for flow diagnostics. The measurements include the jet penetration (mixing) depth l, jet spreading rate, and the mean velocity/vorticity fields for different offset positions Delta. With the introduction of offset, the flow patterns change drastically. For 0 < Delta/D < 0.2 the jet deflects toward the wall while precessing (as in the axisymmetric case), for 0.2 < Delta/D < 0.4 the jet hugs the wall but with an oscillating tail, and for 0.45 < Delta/D the jet appears as a wall jet. In all cases, the jet is destroyed at a certain distance (mixing or penetration depth) from the origin. This mixing depth takes its lowest value for 0 < Delta/D < 0.2, with l approximate to (3.2-3.6)D, becomes maximum at Delta/D = 0.4 with l approximate to 5.2D, and drops to l approximate to 4.5D when the jet is close to the wall. Recommendations are made for suitable Delta/D values for optimal operation of SPR degassing. C1 [Nath, C.; Voropayev, S. I.] Univ Notre Dame, Dept Civil & Environm Engn & Earth Sci, Environm Fluid Dynam Labs, Notre Dame, IN 46556 USA. [Voropayev, S. I.] Russian Acad Sci, PP Shirshov Oceanol Inst, Moscow 117851, Russia. [Lord, D.] Sandia Natl Labs, Geotechnol & Engn Dept, Albuquerque, NM 87185 USA. [Fernando, H. J. S.] Univ Notre Dame, Dept Aerosp & Mech Engn, Dept Civil & Environm Engn & Earth Sci, Environm Fluid Dynam Labs, Notre Dame, IN 46556 USA. RP Nath, C (reprint author), Univ Notre Dame, Dept Civil & Environm Engn & Earth Sci, Environm Fluid Dynam Labs, Notre Dame, IN 46556 USA. EM cnath@nd.edu FU Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by Sandia National Laboratories, 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. We wish to thank Dr. Steve Webb of the Sandia National Laboratories (retired) for his help in conducting this work. NR 15 TC 0 Z9 0 U1 2 U2 8 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0098-2202 EI 1528-901X J9 J FLUID ENG-T ASME JI J. Fluids Eng.-Trans. ASME PD JUN PY 2014 VL 136 IS 6 AR 060911 DI 10.1115/1.4026023 PG 7 WC Engineering, Mechanical SC Engineering GA AH2KW UT WOS:000335951200012 ER PT J AU Rubinstein, R Zhou, Y AF Rubinstein, Robert Zhou, Ye TI Constant Flux States in Anisotropic Turbulence SO JOURNAL OF FLUIDS ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article ID ISOTROPIC TURBULENCE AB An elementary closure theory is used to compute the scaling of anisotropic contributions to the correlation function in homogeneous turbulence. These contributions prove to decay with wave-number more rapidly than the energy spectrum; this property is sometimes called the "recovery of isotropy" at small scales and is a key hypothesis of the Kolmogorov theory. Although comparisons with a more comprehensive theory suggest that the present theory is too crude, its elementary character makes the scaling analysis straightforward. The analysis reveals some characteristic features of anisotropic turbulence, including "angular" energy transfer in wavevector space. C1 [Rubinstein, Robert] NASA, Langley Res Ctr, Computat AeroSci Branch, Hampton, VA 23681 USA. [Zhou, Ye] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Rubinstein, R (reprint author), NASA, Langley Res Ctr, Computat AeroSci Branch, Hampton, VA 23681 USA. EM r.rubinstein@nasa.gov; zhou3@llnl.gov NR 12 TC 0 Z9 0 U1 0 U2 3 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0098-2202 EI 1528-901X J9 J FLUID ENG-T ASME JI J. Fluids Eng.-Trans. ASME PD JUN PY 2014 VL 136 IS 6 AR 060914 DI 10.1115/1.4026283 PG 3 WC Engineering, Mechanical SC Engineering GA AH2KW UT WOS:000335951200015 ER PT J AU Garcia-Diaz, BL Colon-Mercado, HR Herrington, K Fox, EB AF Garcia-Diaz, Brenda L. Colon-Mercado, Hector R. Herrington, Kevin Fox, Elise B. TI Polarization and Electrocatalyst Selection for Polybenzimidazole Direct Methanol Fuel Cells SO JOURNAL OF FUEL CELL SCIENCE AND TECHNOLOGY LA English DT Article DE DMFC; methanol; fuel cells; high temperature; PBI; polarization ID POLYMER ELECTROLYTE; PHOSPHORIC-ACID; OXYGEN REDUCTION; MEMBRANES; KINETICS AB High temperature direct methanol fuel cells (DMFCs) using polybenzimidazole (PBI) membranes could improve the energy density of portable power sources. This study examines the polarization of vapor phase PBI DMFCs constructed with commercial membranes manufactured by a sol-gel method. The polarization of the high temperature DMFCs is compared to similar low temperature membrane electrode assemblies (MEAs) using Nafion (R) membranes. The results showed that the cathode of the PBI DMFC had higher kinetic losses that are likely due to phosphate poisoning of the Pt electrocatalyst. At the tested conditions, the membrane conductivity of the PBI MEAs was comparable to the Nafion (R) MEA even with no humidification. Higher cell temperatures significantly improved PBI DMFC performance for Pt electrocatalyst electrodes. In full cell tests, the PBI DMFC MEAs had higher performance than Nafion (R) MEAs with similar catalyst loadings. The Pt and PtRu catalysts were tested for methanol oxidation and oxygen reduction activity by a rotating disk electrode (RDE) under 0.5M H2SO4 and 0.5M H3PO4. The combination of the polarization and RDE results for the PBI and Nafion (R) DMFCs suggest that Pt is a more active electrocatalyst for methanol oxidation in PBI than in Nafion (R). C1 [Garcia-Diaz, Brenda L.; Colon-Mercado, Hector R.; Herrington, Kevin; Fox, Elise B.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Garcia-Diaz, BL (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM Brenda.Garcia-Diaz@srnl.doe.gov FU SRNL FY10 LDRD Program; SRNL FY11 Mini-Sabbatical Program; U.S. Department of Energy [DE-AC09-08SR22470] FX This work was funded under the SRNL FY10 LDRD Program and the SRNL FY11 Mini-Sabbatical Program. Savannah River National Laboratory is operated by Savannah River Nuclear Solutions. This document was prepared in conjunction with work accomplished under Contract No. DE-AC09-08SR22470 with the U.S. Department of Energy. NR 16 TC 1 Z9 1 U1 3 U2 26 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 1550-624X EI 1551-6989 J9 J FUEL CELL SCI TECH JI J. Fuel Cell Sci. Technol. PD JUN PY 2014 VL 11 IS 3 AR 031001 DI 10.1115/1.4025523 PG 5 GA AH2KP UT WOS:000335950300001 ER PT J AU Maxwell, SL Culligan, BK Hutchison, JB Utsey, RC McAlister, DR AF Maxwell, Sherrod L. Culligan, Brian K. Hutchison, Jay B. Utsey, Robin C. McAlister, Daniel R. TI Rapid determination of Ra-226 in emergency urine samples SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Ra-226; Rapid; Emergency; Separation; Alpha spectrometry AB A new method has been developed at the Savannah River National Laboratory (SRNL) that can be used for the rapid determination of Ra-226 in emergency urine samples following a radiological incident. If a radiological dispersive device event or a nuclear accident occurs, there will be an urgent need for rapid analyses of radionuclides in urine samples to ensure the safety of the public. Large numbers of urine samples will have to be analyzed very quickly. This new SRNL method was applied to 100 mL urine aliquots, however this method can be applied to smaller or larger sample aliquots as needed. The method was optimized for rapid turnaround times; urine samples may be prepared for counting in < 3 h. A rapid calcium phosphate precipitation method was used to pre-concentrate Ra-226 from the urine sample matrix, followed by removal of calcium by cation exchange separation. A stacked elution method using DGA Resin was used to purify the Ra-226 during the cation exchange elution step. This approach combines the cation resin elution step with the simultaneous purification of Ra-226 with DGA Resin, saving time. Ba-133 was used instead of Ra-225 as tracer to allow immediate counting; however, Ra-225 can still be used as an option. The rapid purification of Ra-226 to remove interferences using DGA Resin was compared with a slightly longer Ln Resin approach. A final barium sulfate micro-precipitation step was used with isopropanol present to reduce solubility; producing alpha spectrometry sources with peaks typically < 40 keV FWHM (full width half max). This new rapid method is fast, has very high tracer yield (> 90 %), and removes interferences effectively. The sample preparation method can also be adapted to ICP-MS measurement of Ra-226, with rapid removal of isobaric interferences. C1 [Maxwell, Sherrod L.; Culligan, Brian K.; Hutchison, Jay B.; Utsey, Robin C.] Savannah River Natl Lab, Aiken, SC 29808 USA. [McAlister, Daniel R.] PG Res Fdn Inc, Lisle, IL 60532 USA. RP Maxwell, SL (reprint author), Savannah River Natl Lab, Bldg 735-B, Aiken, SC 29808 USA. EM sherrod.maxwell@srs.gov FU Department of Energy, DOE [DE-AC09-96SR18500] FX This work was performed under the auspices of the Department of Energy, DOE Contract No. DE-AC09-96SR18500. The authors wish to acknowledge Staci Britt, Jack Herrington and Becky Chavous for their assistance with this work. NR 11 TC 3 Z9 3 U1 0 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 JUN PY 2014 VL 300 IS 3 BP 1159 EP 1166 DI 10.1007/s10967-014-3046-9 PG 8 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AG8MX UT WOS:000335673800031 ER PT J AU Maxwell, SL Culligan, BK Hutchison, JB Utsey, RC McAlister, DR AF Maxwell, Sherrod L. Culligan, Brian K. Hutchison, Jay B. Utsey, Robin C. McAlister, Daniel R. TI Rapid determination of actinides in seawater samples SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Actinides; Plutonium; Isotopes; Seawater; Rapid; ICP-MS ID PLASMA-MASS SPECTROMETRY; PLUTONIUM ISOTOPES; PU ISOTOPES; ICP-MS; WATER AB A new rapid method for the determination of actinides in seawater samples has been developed at the Savannah River National Laboratory. The actinides can be measured by alpha spectrometry or inductively-coupled plasma mass spectrometry. The new method employs novel pre-concentration steps to collect the actinide isotopes quickly from 80 L or more of seawater. Actinides are co-precipitated using an iron hydroxide co-precipitation step enhanced with Ti+3 reductant, followed by lanthanum fluoride co-precipitation. Stacked TEVA Resin and TRU Resin cartridges are used to rapidly separate Pu, U, and Np isotopes from seawater samples. TEVA Resin and DGA Resin were used to separate and measure Pu, Am and Cm isotopes in seawater volumes up to 80 L. This robust method is ideal for emergency seawater samples following a radiological incident. It can also be used, however, for the routine analysis of seawater samples for oceanographic studies to enhance efficiency and productivity. In contrast, many current methods to determine actinides in seawater can take 1-2 weeks and provide chemical yields of similar to 30-60 %. This new sample preparation method can be performed in 4-8 h with tracer yields of similar to 85-95 %. By employing a rapid, robust sample preparation method with high chemical yields, less seawater is needed to achieve lower or comparable detection limits for actinide isotopes with less time and effort. C1 [Maxwell, Sherrod L.; Culligan, Brian K.; Hutchison, Jay B.; Utsey, Robin C.] Savannah River Natl Lab, Aiken, SC 29808 USA. [McAlister, Daniel R.] PG Res Fdn Inc, Lisle, IL 60532 USA. RP Maxwell, SL (reprint author), Savannah River Natl Lab, Bldg 735-B, Aiken, SC 29808 USA. EM sherrod.maxwell@srs.gov FU Department of Energy, DOE [DE-AC09-96SR18500] FX This work was performed under the auspices of the Department of Energy, DOE Contract No. DE-AC09-96SR18500. The authors wish to acknowledge Staci Britt, Phil Demaere, Jack Herrington and Becky Chavous for their assistance with this work. NR 23 TC 11 Z9 11 U1 1 U2 26 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 JUN PY 2014 VL 300 IS 3 BP 1175 EP 1189 DI 10.1007/s10967-014-3079-0 PG 15 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AG8MX UT WOS:000335673800033 ER PT J AU Shanker, S Czako, R Sankaran, B Atmar, RL Estes, MK Prasad, BVV AF Shanker, Sreejesh Czako, Rita Sankaran, Banumathi Atmar, Robert L. Estes, Mary K. Prasad, B. V. Venkataram TI Structural Analysis of Determinants of Histo-Blood Group Antigen Binding Specificity in Genogroup I Noroviruses SO JOURNAL OF VIROLOGY LA English DT Article ID NORWALK VIRUS-INFECTION; UNITED-STATES; EPOCHAL EVOLUTION; GASTROENTERITIS; RECOGNITION; SUSCEPTIBILITY; EPIDEMIOLOGY; DISEASE; CLASSIFICATION; OUTBREAKS AB Human noroviruses (NoVs) cause acute epidemic gastroenteritis. Susceptibility to the majority of NoV infections is determined by genetically controlled secretor-dependent expression of histo-blood group antigens (HBGAs), which are also critical for NoV attachment to host cells. Human NoVs are classified into two major genogroups (genogroup I [ GI] and GII), with each genogroup further divided into several genotypes. GII NoVs are more prevalent and exhibit periodic emergence of new variants, suggested to be driven by altered HBGA binding specificities and antigenic drift. Recent epidemiological studies show increased activity among GI NoVs, with some members showing the ability to bind nonsecretor HBGAs. NoVs bind HBGAs through the protruding (P) domain of the major capsid protein VP1. GI NoVs, similar to GII, exhibit significant sequence variations in the P domain; it is unclear how these variations affect HBGA binding specificities. To understand the determinants of possible strain-specific HBGA binding among GI NoVs, we determined the structure of the P domain of a GI. 7 clinical isolate and compared it to the previously determined P domain structures of GI. 1 and GI. 2 strains. Our crystallographic studies revealed significant structural differences, particularly in the loop regions of the GI. 7 P domain, altering its surface topography and electrostatic landscape and potentially indicating antigenic variation. The GI. 7 strain bound to H-and A-type, Lewis secretor, and Lewis nonsecretor families of HBGAs, allowing us to further elucidate the structural determinants of nonsecretor HBGA binding among GI NoVs and to infer several contrasting and generalizable features of HBGA binding in the GI NoVs. C1 [Shanker, Sreejesh; Prasad, B. V. Venkataram] Baylor Coll Med, Verna Marrs McLean Dept Biochem & Mol Biol, Houston, TX 77030 USA. [Czako, Rita; Atmar, Robert L.; Estes, Mary K.; Prasad, B. V. Venkataram] Baylor Coll Med, Dept Mol Virol & Microbiol, Houston, TX 77030 USA. [Atmar, Robert L.; Estes, Mary K.] Baylor Coll Med, Dept Med, Houston, TX 77030 USA. [Sankaran, Banumathi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Ctr Struct Biol, Berkeley, CA 94720 USA. RP Prasad, BVV (reprint author), Baylor Coll Med, Verna Marrs McLean Dept Biochem & Mol Biol, Houston, TX 77030 USA. EM vprasad@bcm.edu FU NIH [PO1 AI057788]; B.V.V.P [P30DK56638, P30 CA125123]; Robert Welch Foundation [Q1292]; John S. Dunn Research Foundation; Agriculture and Food Research Initiative Competitive [2011-68003-30395]; USDA National Institute of Food and Agriculture FX This work was supported by the following grants from the NIH: PO1 AI057788 to M.K.E., R.L.A., and B.V.V.P., P30DK56638 to M.K.E., and P30 CA125123, which funds the Recombinant Protein and Monoclonal Antibody Production Shared Resource at Baylor College of Medicine. This work was also supported by the Robert Welch Foundation (grant Q1292 to B.V.V.P.) and the John S. Dunn Research Foundation (funds to R.L.A.). R.C. was supported in part by Agriculture and Food Research Initiative Competitive Grant no. 2011-68003-30395 from the USDA National Institute of Food and Agriculture. NR 52 TC 12 Z9 12 U1 1 U2 8 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 JUN PY 2014 VL 88 IS 11 BP 6168 EP 6180 DI 10.1128/JVI.00201-14 PG 13 WC Virology SC Virology GA AH2SB UT WOS:000335970300025 PM 24648450 ER PT J AU Smith, L Zimmerman, JA Hale, LM Farkas, D AF Smith, Laura Zimmerman, Jonathan A. Hale, Lucas M. Farkas, Diana TI Molecular dynamics study of deformation and fracture in a tantalum nano-crystalline thin film SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE molecular dynamics; BCC; mechanical behavior; deformation; fracture; strain rate sensitivity ID NANOCRYSTALLINE FCC METALS; GRAIN-BOUNDARY MOTION; ROOM-TEMPERATURE; NANOSIZED VOIDS; STRAIN-RATE; SIMULATIONS; GROWTH; FAILURE; NANOINDENTATION; DISLOCATIONS AB We present results from molecular dynamics simulations of two nano-crystalline tantalum thin films that illuminate the variety of atomic-scale mechanisms of incipient plasticity. Sample 1 contains approximately 500K atoms and 3 grains, chosen to facilitate study at 10(5) s(-1) strain rate; sample 2 has 4.6M atoms and 30 grains. The samples are loaded in uniaxial tension at deformation rates of 10(5)-10(9) s(-1), and display phenomena including emission of perfect 1/2 < 1 1 1 >-type dislocations and the formation and migration of twin boundaries. It was found that screw dislocation emission is the first deformation mechanism activated at strain rates below 10(8) s(-1). Deformation twins emerge as a deformation mechanism at higher strains, with twins observed to cross grain boundaries as larger strains are reached. At high strain rates atoms are displaced with the characteristic twin vector at a ratio of 3:1 (10(8) s(-1)) or 4:1 (10(9) s(-1)) to characteristic dislocation vectors. Fracture is nucleated through a nano-void growth process. Grain boundary sliding does not scale with increasing strain rate. Detailed analysis of nano-scale deformation using these tools enhances our understanding of deformation mechanisms in tantalum. C1 [Smith, Laura; Farkas, Diana] Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. [Zimmerman, Jonathan A.; Hale, Lucas M.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Smith, L (reprint author), Virginia Polytech Inst & State Univ, 445 Old Turner St, Blacksburg, VA 24061 USA. EM lauramse@vt.edu FU Enabling Predictive Simulation Research Institute (EPSRI); Predicting Performance Margins (PPM) program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Department of Energy [DE-FG02-08ER46525] FX The authors acknowledge the invaluable assistance of Christopher Weinberger and Alexander Stukowski, the author of the DXA and OVITO programs, as well as Christopher Lammi and Stephanie Pitts for their fruitful discussions. We also acknowledge the support of the Enabling Predictive Simulation Research Institute (EPSRI) and the Predicting Performance Margins (PPM) program. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. Also contributing vital support is the Department of Energy grant-DE-FG02-08ER46525. NR 55 TC 8 Z9 8 U1 5 U2 55 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JUN PY 2014 VL 22 IS 4 AR 045010 DI 10.1088/0965-0393/22/4/045010 PG 20 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AH2LP UT WOS:000335953300010 ER PT J AU Valone, SM Atlas, SR Baskes, MI AF Valone, Steven M. Atlas, Susan R. Baskes, Michael I. TI Fragment Hamiltonian model potential for nickel: metallic character and defects in crystalline lattices SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE atomistic models; embedded atom method; metallic systems; Hubbard models; nickel ID EMBEDDED-ATOM-METHOD; AB-INITIO VB/MM; VALENCE-BOND; ENERGY SURFACES; CHARGE-TRANSFER; FCC METALS; MOLECULES; DIATOMICS; ELECTRONEGATIVITY; EQUALIZATION AB The Fragment Hamiltonian (FH) model is introduced as the basis for a new class of atomistic potentials that may be viewed as generalizations of the embedded atom method (EAM) and related atomistic potentials. Many metals and alloys have been successfully modeled by this method and other related methods, but the nature of the metallic character in the models has been lost. Here we attempt to recover this character, at a qualitative level, by defining an embedding energy as a function of two variables through the FH model. One of these variables, called the ionicity, is associated with the established concept of background density in EAM models. The FH embedding energy is composed of two types of energies, one for energies of different states of an atom and the other for hopping energies that transform an atom from one state to another. A combination of the energies for the states of an atom yield a local gap energy that conforms to a generalized definition of the 'Hubbard-U' energy. The hopping energies compete with the gap energy to provide a notion of metallic behavior in an atomic-scale model. Lattices of nickel with different coordinations and spatial dimensions, elastic constants, energies for several types of defects in three-dimensional lattices and two surface energies are calculated to show the strengths and limitations of the current implementation and to explore their metallic character. C1 [Valone, Steven M.; Baskes, Michael I.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Valone, Steven M.; Atlas, Susan R.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Baskes, Michael I.] Univ Calif San Diego, Jacobs Sch Engn, San Diego, CA 92093 USA. RP Valone, SM (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM smv@lanl.gov FU US Department of Energy [DE-AC52-06NA25396]; 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]; Laboratory Directed Research and Development Program FX Work was performed at Los Alamos National Laboratory under the auspices of the US Department of Energy, under contract No DE-AC52-06NA25396 with partial funding provided 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, for development of the framework of the atomistic model. Partial funding was also provided by Laboratory Directed Research and Development Program, supporting development of the concept of hopping in the model and the details of the model in sections 3 and 4. We also thank H G Telila and J Gibson for help with the electronic structure computations, and the Institute for Mathematics and Its Applications, University of Minnesota, for its hospitality and support during the initial, conceptual stage of this work. NR 68 TC 3 Z9 3 U1 1 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JUN PY 2014 VL 22 IS 4 AR 045013 DI 10.1088/0965-0393/22/4/045013 PG 31 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AH2LP UT WOS:000335953300013 ER PT J AU Wang, BJ Sak-Saracino, E Sandoval, L Urbassek, HM AF Wang, Binjun Sak-Saracino, Emilia Sandoval, Luis Urbassek, Herbert M. TI Martensitic and austenitic phase transformations in Fe-C nanowires SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE nanowire; martensitic phase transformation; shape memory; Fe-C alloy ID MOLECULAR-DYNAMICS SIMULATIONS; THIN IRON FILMS; STRUCTURAL TRANSFORMATION; TRANSITION-METALS; FCC; COPPER; BCC; NANOPARTICLES; BEHAVIOR; VANADIUM AB Using molecular-dynamics simulation, we study the austenitic and martensitic phase transformation in Fe-C nanowires with C contents up to 1.2 at%. The transformation temperatures decrease with C content. The martensite temperature decreases with wire diameter towards the bulk value. During the transformation, the bcc and fcc phases obey the Kurdjumov-Sachs orientation relationship. For ultrathin wires (diameter D <= 2.8 nm), we observe wire buckling as well as shape-memory effects. Under axial tensile stress the martensite transformation is partially suppressed, leading to strong plastic deformation. Under the highest loads, the austenite only partially back-transforms while the crystalline phases in the wire re-orient giving the multi-phase mixture a high tensile strength. C1 [Wang, Binjun; Sak-Saracino, Emilia; Urbassek, Herbert M.] Univ Kaiserslautern, Dept Phys, D-67663 Kaiserslautern, Germany. [Wang, Binjun; Sak-Saracino, Emilia; Urbassek, Herbert M.] Univ Kaiserslautern, Res Ctr OPTIMAS, D-67663 Kaiserslautern, Germany. [Sandoval, Luis] Los Alamos Natl Lab, Theoret Div T1, Los Alamos, NM 87545 USA. RP Wang, BJ (reprint author), Univ Kaiserslautern, Dept Phys, Erwin Schrodinger Str, D-67663 Kaiserslautern, Germany. EM urbassek@rhrk.uni-kl.de RI Sandoval, Luis/B-2221-2009; OI Sandoval, Luis/0000-0002-1172-7972; Urbassek, Herbert/0000-0002-7739-4453 FU Deutsche Forschungsgemeinschaft via the Sonderforschungs-bereich 926 FX We acknowledge support by the Deutsche Forschungsgemeinschaft via the Sonderforschungs-bereich 926. NR 57 TC 3 Z9 3 U1 1 U2 31 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JUN PY 2014 VL 22 IS 4 AR 045003 DI 10.1088/0965-0393/22/4/045003 PG 13 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AH2LP UT WOS:000335953300003 ER PT J AU Finn, JM Billey, Z Daughton, W Zweibel, E AF Finn, J. M. Billey, Z. Daughton, W. Zweibel, E. TI Quasi-separatrix layer reconnection for nonlinear line-tied collisionless tearing modes SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article DE quasi-separatrix layer; line-tied reconnection; particle in cell; nonlinear tearing ID 3-DIMENSIONAL KINEMATIC RECONNECTION; GENERAL MAGNETIC RECONNECTION; PARALLEL ELECTRIC-FIELDS; NULLS AB Quasi-separatrix layer (QSL) diagnostics are used to diagnose nonlinear line-tied tearing modes using particle-in-cell code simulation results. For a force-free current sheet, nonlinear tearing mode cases are shown over a wide range of plasma lengths with line-tying boundary conditions at the ends of the plasma. The methods used for performing the field line integrations with noisy PIC data are described. The QSL diagnostics used are the squashing degree Q (Priest and Demoulin 1995 J. Geophys. Res. 100 23443) and the ideal magnetohydrodynamic (MHD) scalar potential phi(i) of Richardson and Finn (2012 Commun. Nonlinear Sci. Numer. Simul. 17 2132). We also introduce the non-ideal scalar potential phi(n), the analog of the resistive MHD scalar potential phi(r) of Richardson and Finn (2012). These QSL diagnostics are compared with the helical flux contours of the primary modes. They are used in the late linear regime and near mode saturation. For non-overlapping islands, these diagnostics show the QSL associated with the X-lines and their separatrices. These are shown to indicate well field line behavior such as chaotic scattering and separatrix crossing. For overlapping islands, they indicate chaotic scattering behavior either related to Chirikov overlap (Chirikov 1979 Phys. Rep. 52 263) or to separatrix crossing (Tennyson et al 1986 Phys. Rev. Lett. 56 2117). C1 [Finn, J. M.; Daughton, W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Billey, Z.; Zweibel, E.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. RP Finn, JM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Daughton, William/L-9661-2013 FU University of California UCOP program; NNSA of the US DOE [DE-AC52-06NA25396]; NSF Center for Magnetic Self-Organization (CMSO) [NSF PHY0821899] FX The work of JMF and WD was supported by the University of California UCOP program and performed under the auspices of the NNSA of the US DOE by LANL, operated by LANS LLC under Contract No DE-AC52-06NA25396. Simulations were performed using resources from the Institutional Computing Program at LANL. The work of ZB and EZ was supported by the NSF Center for Magnetic Self-Organization (CMSO), under grant NSF PHY0821899. NR 28 TC 10 Z9 10 U1 0 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD JUN PY 2014 VL 56 IS 6 SI SI AR 064013 DI 10.1088/0741-3335/56/6/064013 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AH2RD UT WOS:000335967800014 ER PT J AU Markidis, S Lapenta, G Delzanno, GL Henri, P Goldman, MV Newman, DL Intrator, T Laure, E AF Markidis, S. Lapenta, G. Delzanno, G. L. Henri, P. Goldman, M. V. Newman, D. L. Intrator, T. Laure, E. TI Signatures of secondary collisionless magnetic reconnection driven by kink instability of a flux rope SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article DE magnetic reconnection; PIC simulations; flux rope; kink instability ID = 1 OSCILLATIONS; EARTHS MAGNETOPAUSE; PLASMA; SIMULATIONS; SPACE; FIELD AB The kinetic features of secondary magnetic reconnection in a single flux rope undergoing internal kink instability are studied by means of three-dimensional particle-in-cell simulations. Several signatures of secondary magnetic reconnection are identified in the plane perpendicular to the flux rope: a quadrupolar electron and ion density structure and a bipolar Hall magnetic field develop in proximity of the reconnection region. The most intense electric fields form perpendicularly to the local magnetic field, and a reconnection electric field is identified in the plane perpendicular to the flux rope. An electron current develops along the reconnection line, in the opposite direction of the electron current supporting the flux rope magnetic field structure. Along the reconnection line, several bipolar structures of the electric field parallel to the magnetic field occur, making the magnetic reconnection region turbulent. The reported signatures of secondary magnetic reconnection can help to localize magnetic reconnection events in space, astrophysical and fusion plasmas. C1 [Markidis, S.; Laure, E.] KTH Royal Inst Technol, High Performance Comp & Visualizat HPCViz Dept, Stockholm, Sweden. [Lapenta, G.] KULeuven, Ctr Math Plasma Astrophys CmPA, Louvain, Belgium. [Delzanno, G. L.; Intrator, T.] Los Alamos Natl Lab, Los Alamos, NM USA. [Henri, P.] CNRS, LPC2E, F-45071 Orleans, France. [Goldman, M. V.; Newman, D. L.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Goldman, M. V.; Newman, D. L.] Univ Colorado, CIPS, Boulder, CO 80309 USA. RP Markidis, S (reprint author), KTH Royal Inst Technol, High Performance Comp & Visualizat HPCViz Dept, Stockholm, Sweden. EM markidis@kth.se OI Lapenta, Giovanni/0000-0002-3123-4024 FU NASA MMS Grant [NNX08AO84G]; European Commission [287703, 263340]; Onderzoekfonds KU Leuven (Research Fund KU Leuven) FX The present work is supported by NASA MMS Grant NNX08AO84G. Additional support for the KTH team is provided by the European Commission's Seventh Framework Programme under the grant agreement no 287703 (CRESTA, cresta-project.eu). Additional support for the KULeuven team is provided by the Onderzoekfonds KU Leuven (Research Fund KU Leuven) and by the European Commission's Seventh Framework Programme (FP7/2007-2013) under the grant agreement no 263340 (SWIFF project, www.swiff.eu). NR 36 TC 4 Z9 4 U1 0 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD JUN PY 2014 VL 56 IS 6 SI SI AR 064010 DI 10.1088/0741-3335/56/6/064010 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AH2RD UT WOS:000335967800011 ER PT J AU Nelson, NJ Miesch, MS AF Nelson, N. J. Miesch, M. S. TI Generating buoyant magnetic flux ropes in solar-like convective dynamos SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article DE flux emergence; dynamic; solar magnetism; stellar magnetism; turbulence ID TURBULENT CONVECTION; CYCLES; SIMULATIONS; SHEAR; INSTABILITIES; ENVELOPE; WREATHS; REGIONS; KEPLER; FIELDS AB Our Sun exhibits strong convective dynamo action which results in magnetic flux bundles emerging through the stellar surface as magnetic spots. Global-scale dynamo action is believed to generate large-scale magnetic structures in the deep solar interior through the interplay of convection, rotation and shear. Portions of these large-scale magnetic structures are then believed to rise through the convective layer, forming magnetic loops which then pierce the photosphere as sunspot pairs. Previous global simulations of three-dimensional magnetohydrodynamic convection in rotating spherical shells have demonstrated mechanisms whereby large-scale magnetic wreaths can be generated in the bulk of the convection zone. Our recent simulations have achieved sufficiently high levels of turbulence to permit portions of these wreaths to become magnetically buoyant and rise through the simulated convective layer through a combination of magnetic buoyancy and advection by convective giant cells. These buoyant magnetic loops are created in the bulk of the convective layer as strong Lorentz force feedback in the cores of the magnetic wreaths dampen small-scale convective motions, permitting the amplification of local magnetic energies to over 100 times the local kinetic energy. While the magnetic wreaths are largely generated the shearing of axisymmetric poloidal magnetic fields by axisymmetric rotational shear (the Omega-effect), the loops are amplified to their peak field strengths before beginning to rise by non-axisymmetric processes. This further extends and enhances a new paradigm for the generation of emergent magnetic flux bundles, which we term turbulence-enabled magnetic buoyancy. C1 [Nelson, N. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Miesch, M. S.] Natl Ctr Atmospher Res, High Altitude Observ, Boulder, CO 80301 USA. RP Nelson, NJ (reprint author), Los Alamos Natl Lab, POB 1663,T-2,MS-B283, Los Alamos, NM 87545 USA. EM njnelson@lanl.gov OI Nelson, Nicholas/0000-0002-4967-5258; Miesch, Mark/0000-0003-1976-0811 FU NASA through Heliophysics Theory Program grants [NNX08AI57G, NNX11AJ36G]; LANL Metropolis Fellowship; National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; NASA SRT grant [NNH09AK14I]; National Science Foundation FX We thank Kyle Auguston, Chris Chronopoulos, Yuhong Fan, Nicholas Featherstone, Brandley Hindman and Joyce Guzik for their suggestions and advice. This research is partly supported by NASA through Heliophysics Theory Program grants NNX08AI57G and NNX11AJ36G. NJN is supported by a LANL Metropolis Fellowship. Work at LANL was done under the auspices of the National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory under Contract No DE-AC52-06NA25396. MSM is also supported by NASA SR&T grant NNH09AK14I. NCAR is sponsored by the National Science Foundation. The simulations were carried out with NSF TeraGrid and XSEDE support of Ranger at TACC, and Kraken at NICS, and with NASA HECC support of Pleiades. Field line tracings and volume renderings shown in figures 2 and 4 were produced using VAPOR (Clyne et al 2007). NR 38 TC 4 Z9 4 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD JUN PY 2014 VL 56 IS 6 SI SI AR 064004 DI 10.1088/0741-3335/56/6/064004 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AH2RD UT WOS:000335967800005 ER PT J AU Penrod, A Zhang, Y Wang, K Wu, SY Leung, LR AF Penrod, Ashley Zhang, Yang Wang, Kai Wu, Shiang-Yuh Leung, L. Ruby TI Impacts of future climate and emission changes on US air quality SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Future climate change; Emissions; Air quality; CMAQ; WRF; Model evaluation ID EASTERN UNITED-STATES; INTERCONTINENTAL OZONE POLLUTION; PARTICULATE MATTER; SURFACE OZONE; PERFORMANCE EVALUATION; TROPOSPHERIC OZONE; REGIONAL CLIMATE; MODELING SYSTEM; CHEMISTRY; PART AB Changes in climate and emissions will affect future air quality. In this work, simulations of regional air quality during current (2001-2005) and future (2026-2030) winter and summer are conducted with the newly released CMAQ version 5.0 to examine the impacts of simulated future climate and anthropogenic emission projections on air quality over the U.S. Current meteorological and chemical predictions are evaluated against observations to assess the model's capability in reproducing the seasonal differences. WRF and CMAQ capture the overall observational spatial patterns and seasonal differences. Biases in model predictions are attributed to uncertainties in emissions, boundary conditions, and limitations in model physical and chemical treatments as well as the use of a coarse grid resolution. Increased temperatures (up to 3.18 degrees C) and decreased ventilation (up to 157 m in planetary boundary layer height) are found in both future winter and summer, with more prominent changes in winter. Increases in future temperatures result in increased isoprene and terpene emissions in winter and summer, driving the increase in maximum 8-h average O-3 (up to 5.0 ppb) over the eastern U.S. in winter while decreases in NO emissions drive the decrease in O-3 over most of the U.S. in summer. Future PM2.5 concentrations in winter and summer and many of its components decrease due to decreases in primary anthropogenic emissions and the concentrations of secondary anthropogenic pollutants as well as increased precipitation in winter. Future winter and summer dry and wet deposition fluxes are spatially variable and increase with decreasing surface resistance and precipitation, respectively. They decrease with a decrease in ambient particulate concentrations. Anthropogenic emissions play a more important role in summer than in winter for future O-3 and PM2.5 levels, with a dominance of the effects of significant emission reductions over those of climate change on future PM2.5 levels. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Penrod, Ashley; Zhang, Yang; Wang, Kai] N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Raleigh, NC 27695 USA. [Wu, Shiang-Yuh] Dept Air Qual & Environm Management, Clark Cty, NV USA. [Leung, L. Ruby] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zhang, Y (reprint author), N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Campus Box 8208, Raleigh, NC 27695 USA. EM yang_zhang@ncsu.edu RI Wang, Kai/D-4262-2013 OI Wang, Kai/0000-0002-2375-5989 FU National Research Initiative Competitive from the USDA Cooperative State Research, Education, and Extension Service Air Quality Program [2008-35112-18758]; Office of Science of the U.S. Department of Energy as part of the Regional and Global Climate Modeling Program; DOE by Battelle Memorial Institute [DE-AC05-76RLO1830] FX This work was supported by National Research Initiative Competitive Grant no. 2008-35112-18758 from the USDA Cooperative State Research, Education, and Extension Service Air Quality Program and the Office of Science of the U.S. Department of Energy as part of the Regional and Global Climate Modeling Program. Thanks are owed to Dr. David Streets, Argonne National Laboratory, for providing the future anthropogenic emission growth factors; to the U.S. EPA for meteorological and chemical initial and boundary conditions and the 2002 emissions inventory; to Wei Wang, a visiting scholar at NCSU from the Institute of Atmospheric Physics, Chinese Academy of Science, and Wyat Appel and Robert Gilliam, U.S. EPA, for AMET support, and to Drs. Gary Howell and Eric Sills, NCSU, for computer system support. All satellite observations were downloaded from their receptive web sites.; The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under Contract DE-AC05-76RLO1830. NR 53 TC 20 Z9 20 U1 4 U2 48 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 JUN PY 2014 VL 89 BP 533 EP 547 DI 10.1016/j.atmosenv.2014.01.001 PG 15 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AH1IT UT WOS:000335874500056 ER PT J AU Liu, AT Zaveri, RA Seinfeld, JH AF Liu, Albert Tianxiang Zaveri, Rahul A. Seinfeld, John H. TI Analytical solution for transient partitioning and reaction of a condensing vapor species in a droplet SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Droplet; Diffusion and reaction; Henry's law constant AB We present the exact analytical solution of the transient equation of gas-phase diffusion of a condensing vapor to, and diffusion and reaction in, an aqueous droplet. Droplet-phase reaction is represented by first-order chemistry. The solution facilitates study of the dynamic nature of the vapor uptake process as a function of droplet size, Henry's law coefficient, and first-order reaction rate constant for conversion in the droplet phase. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Liu, Albert Tianxiang; Seinfeld, John H.] CALTECH, Dept Chem Engn, Pasadena, CA 91126 USA. [Zaveri, Rahul A.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Seinfeld, JH (reprint author), CALTECH, Dept Chem Engn, Pasadena, CA 91126 USA. EM seinfeld@caltech.edu RI Zaveri, Rahul/G-4076-2014 OI Zaveri, Rahul/0000-0001-9874-8807 FU US Department of Energy (DOE) Atmospheric System Research (ASR) Program at Pacific Northwest National Laboratory [DE-AC06-76RLO 1830] FX Participation of RAZ in this study was supported by the US Department of Energy (DOE) Atmospheric System Research (ASR) Program under contract DE-AC06-76RLO 1830 at Pacific Northwest National Laboratory. NR 6 TC 3 Z9 3 U1 1 U2 15 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 JUN PY 2014 VL 89 BP 651 EP 654 DI 10.1016/j.atmosenv.2014.02.065 PG 4 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AH1IT UT WOS:000335874500067 ER PT J AU Ali, HM Iedema, M Yu, XY Cowin, JP AF Ali, H. M. Iedema, M. Yu, X. -Y. Cowin, J. P. TI Ionic strength dependence of the oxidation of SO2 by H2O2 in sodium chloride particles SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Sulfate; Oxidation; Brine; Sodium chloride; H2O2; Ionic strength ID SEA-SALT AEROSOLS; HYDROGEN-PEROXIDE; HYDROPEROXIDE; MICROSCOPY; KINETICS; ACID AB The reaction of sulfur dioxide and hydrogen peroxide in the presence of deliquesced (>75% RH) sodium chloride (brine) particles was studied by utilizing a cross flow mini-reactor. The reaction kinetics were followed by observing chloride depletion in particles by computer-controlled scanning electron microscope with energy dispersive X-ray analysis, namely CCSEM/EDX. The reactions take place in concentrated mixed salt brine aerosols, for which no complete kinetic equilibrium data previously existed. We measured the Henry's law solubility of H2O2 in brine solutions to close that gap. We also calculated the reaction rate as the particle transforms continuously from concentrated NaCl brine to, eventually, a mixed NaHSO4 plus H2SO4 brine solution. The reaction rate of the SO2 oxidation by H2O2 was found to be influenced by the change in ionic strength as the particle undergoes compositional transformation, following closely the dependence of the third order rate constant on ionic strength as predicted using established rate equations. This is the first study that has measured the ionic strength dependence of sulfate formation (in non-aqueous media) from oxidation of mixed salt brine aerosols in the presence of H2O2. It also gives the first report of the dependence of the Henry's law constant of H2O2 on ionic strength. Published by Elsevier Ltd. C1 [Ali, H. M.] Arkansas State Univ, Dept Chem & Phys, Jonesboro, AR 72467 USA. [Iedema, M.] Pacific NW Natl Lab, Environm & Mol Sci Lab, Richland, WA 99354 USA. [Yu, X. -Y.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99354 USA. [Cowin, J. P.] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99354 USA. RP Ali, HM (reprint author), Arkansas State Univ, Dept Chem & Phys, Jonesboro, AR 72467 USA. EM hali@astate.edu; jpcowin@charter.net OI Yu, Xiao-Ying/0000-0002-9861-3109 FU US Department of Energy [DE-AC05-76RL01830/KP1701000/57131]; National Oceanic and Atmospheric Administration [47840]; DOE/BES Chemical Science [KC-0301020-16248]; Department of Energy's Office of Biological and Environmental Research (OBER) at Pacific Northwest National Laboratory (PNNL) FX The work was supported by the US Department of Energy under the auspices of the Atmospheric Science Program, under contract DE-AC05-76RL01830/KP1701000/57131, by the National Oceanic and Atmospheric Administration under the auspices of the Atmospheric Composition and Climate Program under the sub contract 47840, a DOE/BES Chemical Science grant (KC-0301020-16248). The research was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national user facility sponsored by the Department of Energy's Office of Biological and Environmental Research (OBER) and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by the US DOE by Battelle Memorial Institute. Some of the analysis was also performed at Arkansas State University - Jonesboro. NR 24 TC 3 Z9 3 U1 3 U2 27 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 JUN PY 2014 VL 89 BP 731 EP 738 DI 10.1016/j.atmosenv.2014.02.045 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AH1IT UT WOS:000335874500076 ER PT J AU Singhal, A Stock, SR Almer, JD Dunand, DC AF Singhal, Anjali Stock, Stuart R. Almer, Jonathan D. Dunand, David C. TI Effect of cyclic loading on the nanoscale deformation of hydroxyapatite and collagen fibrils in bovine bone SO BIOMECHANICS AND MODELING IN MECHANOBIOLOGY LA English DT Article DE Bone; Fatigue; Synchrotron; X-ray diffraction; Interfacial damage ID X-RAY-DIFFRACTION; METAL-MATRIX COMPOSITES; HUMAN CORTICAL BONE; ADVANCED PHOTON SOURCE; COMPACT-BONE; SYNCHROTRON-RADIATION; MECHANICAL-PROPERTIES; TRABECULAR BONE; FATIGUE DAMAGE; NEUTRON-DIFFRACTION AB Cyclic compressive loading tests were carried out on bovine femoral bones at body temperature , with varying mean stresses ( to MPa) and loading frequencies (0.5-5 Hz). At various times, the cyclic loading was interrupted to carry out high-energy X-ray scattering measurements of the internal strains developing in the hydroxyapatite (HAP) platelets and the collagen fibrils. The residual strains upon unloading were always tensile in the HAP and compressive in the fibrils, and each increases in magnitude with loading cycles, which can be explained from damage at the HAP-collagen interface and accumulation of plastic deformation within the collagen phase. The samples tested at a higher mean stress and stress amplitude, and at lower loading frequencies exhibit greater plastic deformation and damage accumulation, which is attributed to greater contribution of creep. Synchrotron microcomputed tomography of some of the specimens showed that cracks are produced during cyclic loading and that they mostly occur concentric with Haversian canals. C1 [Singhal, Anjali; Dunand, David C.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Stock, Stuart R.] Northwestern Univ, Dept Mol Pharmacol & Biol Chem, Feinberg Sch Med, Chicago, IL 60611 USA. [Almer, Jonathan D.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Singhal, A (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. EM AnjaliSinghal2007@u.northwestern.edu; s-stock@northwestern.edu; almer@aps.anl.gov; dunand@northwestern.edu RI Dunand, David/B-7515-2009; OI Dunand, David/0000-0001-5476-7379 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors thank Prof. L. Catherine Brinson (NU), Dr. Alix Deymier-Black (NU) and Mr. Fang Yuan (NU) for numerous useful discussions throughout this work. They further acknowledge Mr. Yuan and Dr. Deymier-Black for their assistance with the diffraction experiments at the APS-1ID. They also acknowledge Dr. Xianghui Xiao (APS) for his help with the micro-CT experiments at APS-2BM. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 76 TC 2 Z9 2 U1 2 U2 33 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1617-7959 EI 1617-7940 J9 BIOMECH MODEL MECHAN JI Biomech. Model. Mechanobiol. PD JUN PY 2014 VL 13 IS 3 BP 615 EP 626 DI 10.1007/s10237-013-0522-z PG 12 WC Biophysics; Engineering, Biomedical SC Biophysics; Engineering GA AG9ET UT WOS:000335722900011 PM 23958833 ER PT J AU Velmurugan, N Sathishkumar, Y Yim, SS Lee, YS Park, MS Yang, JW Jeong, KJ AF Velmurugan, Natarajan Sathishkumar, Yesupatham Yim, Sung Sun Lee, Yang Soo Park, Min S. Yang, Ji Won Jeong, Ki Jun TI Study of cellular development and intracellular lipid bodies accumulation in the thraustochytrid Aurantiochytrium sp KRS101 SO BIORESOURCE TECHNOLOGY LA English DT Article DE Aurantiochytrium sp.; TEM analysis; BODIPY 505/515; Nile Red; Fluorescence-activated cell sorting ID DOCOSAHEXAENOIC ACID PRODUCTION; FLOW-CYTOMETRY; CHLAMYDOMONAS-REINHARDTII; BODY FORMATION; NILE RED; MICROALGAE; EXPRESSION; STRAINS; PUFAS; GENE AB Transmission electron, confocal microscopy and FACS in conjunction with two different lipophilic fluorescent dyes, BODIPY 505/515 and Nile Red were used to describe the cellular development and lipid bodies formation in Aurantiochytrium sp. KRS101. TEM results revealed that multi-cellular spores were appeared in sporangium during early-exponential phase, and spores were matured in mid-exponential phase followed by release of spores from sporangium in late-exponential phase. TEM and FACS analyses proved that lipid bodies appeared, developed and degenerated in mid-exponential, early- and late-stationary phases, respectively. The staining results in FACS indicate that BODIPY 505/515 is more effective for the vital staining of intracellular lipid bodies than Nile Red. FACS based single cell sorting also showed healthy growth for BODIPY 505/515 stained cells than Nile Red stained cells. In addition, a quantitative baseline was established either for cell growth and/or lipid accumulation based on cell count, fatty acid contents/composition, and sectional/confocal images of KRS101. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Velmurugan, Natarajan; Yim, Sung Sun; Park, Min S.; Yang, Ji Won; Jeong, Ki Jun] Korea Adv Inst Sci & Technol, Dept Biomol & Chem Engn, Program BK21, Taejon 305701, South Korea. [Sathishkumar, Yesupatham; Lee, Yang Soo] Chonbuk Natl Univ, Coll Agr & Life Sci, Dept Forest Sci & Technol, Jeonju, South Korea. [Park, Min S.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. [Jeong, Ki Jun] Korea Adv Inst Sci & Technol, Inst BioCentury, Taejon 305701, South Korea. RP Jeong, KJ (reprint author), Korea Adv Inst Sci & Technol, Dept Biomol & Chem Engn, Program BK21, Taejon 305701, South Korea. EM kjjeong@kaist.ac.kr RI Yang, Ji-Won/C-1933-2011; JEONG, KI JUN/C-1704-2011 FU Advanced Biomass R&D Center (ABC) of Korea Grant - Ministry of Science, ICT and Future Planning (MSIP) [ABC-2013-057282]; BK21 Post-Doctoral Research Fund; Brain Pool Program of Korea FX This work was supported by the Advanced Biomass R&D Center (ABC) of Korea Grant funded by the Ministry of Science, ICT and Future Planning (MSIP) (ABC-2013-057282). N. Velmurugan was supported by the BK21 Post-Doctoral Research Fund and MSP was partially supported by Brain Pool Program of Korea. NR 30 TC 5 Z9 5 U1 4 U2 50 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 EI 1873-2976 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD JUN PY 2014 VL 161 BP 149 EP 154 DI 10.1016/j.biortech.2014.03.017 PG 6 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA AG5CF UT WOS:000335436000019 PM 24704836 ER PT J AU Zhao, BS Ma, JW Zhao, QB Laurens, L Jarvis, E Chen, SL Frear, C AF Zhao, Baisuo Ma, Jingwei Zhao, Quanbao Laurens, Lieve Jarvis, Eric Chen, Shulin Frear, Craig TI Efficient anaerobic digestion of whole microalgae and lipid-extracted microalgae residues for methane energy production SO BIORESOURCE TECHNOLOGY LA English DT Article DE Anaerobic digestion; Microalgae; Lipid-extracted microalgae residues; Methane production ID CHAIN FATTY-ACIDS; DAIRY MANURE; CO-DIGESTION; BIOMASS; WASTE; PRETREATMENT; SUBSTRATE; TOXICITY; HYDROGEN; SLUDGE AB The primary aim of this study was to completely investigate extensive biological methane potential (BMP) on both whole microalgae and its lipid-extracted biomass residues with various degrees of biomass pretreatment. Specific methane productivities (SMP) under batch conditions for non-lipid extracted biomass were better than lipid-extracted biomass residues and exhibited no signs of ammonia or carbon/nitrogen (C/N) ratio inhibition when digested at high I/S ratio (I/S ratio >= 1.0). SMP for suitably extracted biomass ranged from 0.30 to 0.38 L CH4/g VS (volatile solids). For both whole and lipid-extracted biomass, overall organic conversion ranged from 59.33 to 78.50 as a measure of %VS reduction with greater percentage biodegradability in general found within the lipid-extracted biomass. Higher production levels correlated to lipid content with a linear relationship between SMP and ash-free lipid content being developed at a R-2 of 0.814. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Zhao, Baisuo; Ma, Jingwei; Zhao, Quanbao; Chen, Shulin; Frear, Craig] Washington State Univ, Pullman, WA 99164 USA. [Laurens, Lieve; Jarvis, Eric] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Zhao, Baisuo] Chinese Acad Agr Sci, Grad Sch, Beijing 100081, Peoples R China. RP Frear, C (reprint author), Washington State Univ, Pullman, WA 99164 USA. EM cfrear@wsu.edu RI Zhao, Quanbao/A-7611-2014 FU Office of Science of the U.S. Department of Energy (DOE) FX This work (DOE Grant # 22902) was supported from the Office of Science of the U.S. Department of Energy to the National Renewable Energy Laboratory with sub-contract to Washington State University. Additional recognition is given to Ms. Cynthia Alwine for her assistance in analytical work. NR 36 TC 25 Z9 27 U1 3 U2 47 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 EI 1873-2976 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD JUN PY 2014 VL 161 BP 423 EP 430 DI 10.1016/j.biortech.2014.03.079 PG 8 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA AG5CF UT WOS:000335436000055 PM 24736123 ER PT J AU Soeder, DJ Engle, MA AF Soeder, Daniel J. Engle, Mark A. TI Environmental geology and the unconventional gas revolution: Introduction to the Special Issue SO INTERNATIONAL JOURNAL OF COAL GEOLOGY LA English DT Editorial Material ID BARNETT SHALE; NATURAL-GAS; BASIN; RESERVOIR; PLAY C1 [Soeder, Daniel J.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Engle, Mark A.] US Geol Survey, Eastern Energy Resources Sci Ctr, El Paso, TX USA. RP Soeder, DJ (reprint author), US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. EM dansoeder@gmail.com OI Engle, Mark/0000-0001-5258-7374; Soeder, Daniel/0000-0003-2248-6235 NR 19 TC 0 Z9 0 U1 1 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-5162 EI 1872-7840 J9 INT J COAL GEOL JI Int. J. Coal Geol. PD JUN 1 PY 2014 VL 126 SI SI BP 1 EP 3 DI 10.1016/j.coal.2014.02.003 PG 3 WC Energy & Fuels; Geosciences, Multidisciplinary SC Energy & Fuels; Geology GA AG5AI UT WOS:000335431100001 ER PT J AU Soeder, DJ Sharma, S Pekney, N Hopkinson, L Dilmore, R Kutchko, B Stewart, B Carter, K Hakala, A Capo, R AF Soeder, Daniel J. Sharma, Shikha Pekney, Natalie Hopkinson, Leslie Dilmore, Robert Kutchko, Barbara Stewart, Brian Carter, Kimberly Hakala, Alexandra Capo, Rosemary TI An approach for assessing engineering risk from shale gas wells in the United States SO INTERNATIONAL JOURNAL OF COAL GEOLOGY LA English DT Article DE Shales; Fracturing; Environmental; Risk; IAM ID POTENTIAL CONTAMINANT PATHWAYS; HYDRAULICALLY FRACTURED SHALE; NATURAL-GAS; MARCELLUS SHALE; FORMATION-WATERS; WASTE-WATER; STABLE-ISOTOPES; BARNETT SHALE; EARTHQUAKE SEQUENCE; SURFACE WATERS AB In response to a series of "energy crises" in the 1970s, the United States government began investigating the potential of unconventional, domestic sources of energy to offset imported oil. Hydraulic fracturing applied to vertical tight sand and coal bed methane wells achieved some degree of success during a period of high energy prices in the early 1980s, but shale gas remained largely untapped until the late 1990s with the application of directional drilling, a mature technology adapted from deepwater offshore platforms that allowed horizontal wells to penetrate kilometers of organic-rich shale, and staged hydraulic fracturing, which created high permeability flowpaths from the horizontal wells into a much greater volume of the target formations than previous completion methods. These new engineering techniques opened up vast unconventional natural gas and oil reserves, but also raised concerns about potential environmental impacts. These include short-term and long-term impacts to air and water quality from rig operations, potential migration of gas, fluids and chemicals through the ground, and effects on small watersheds and landscapes from roads, pads and other surface structures. Engineering risk assessment commonly uses integrated assessment models (IAMs), which define sources of risk from features, events and processes. The risk from each system element is assessed using high-fidelity models. Output from these is simplified into reduced-order models, so that a large, integrated site performance assessment can be run using the IAM. The technique has been applied to engineered systems in geologic settings for sequestering carbon dioxide, and it is also applicable to shale gas, albeit with some modifications of the various system elements. Preliminary findings indicate that shale gas well drilling and hydraulic fracturing techniques are generally safe when properly applied. Incident reports recorded by state environmental agencies suggest that human error resulting from the disregard of prescribed practices is the greatest cause of environmental incidents. This can only be addressed through education, regulations and enforcement. Published by Elsevier B.V. C1 [Soeder, Daniel J.; Carter, Kimberly] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Pekney, Natalie; Dilmore, Robert; Kutchko, Barbara; Hakala, Alexandra] US DOE, Natl Energy Technol Lab, Pittsburgh, PA USA. [Sharma, Shikha; Hopkinson, Leslie] W Virginia Univ, Morgantown, WV 26506 USA. [Stewart, Brian; Capo, Rosemary] Univ Pittsburgh, Pittsburgh, PA USA. RP Soeder, DJ (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM daniel.soeder@netl.doe.gov RI Carter, Kimberly/J-4595-2014; OI Carter, Kimberly/0000-0002-8114-1248; Soeder, Daniel/0000-0003-2248-6235 NR 134 TC 35 Z9 35 U1 8 U2 122 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-5162 EI 1872-7840 J9 INT J COAL GEOL JI Int. J. Coal Geol. PD JUN 1 PY 2014 VL 126 SI SI BP 4 EP 19 DI 10.1016/j.coal.2014.01.004 PG 16 WC Energy & Fuels; Geosciences, Multidisciplinary SC Energy & Fuels; Geology GA AG5AI UT WOS:000335431100002 ER PT J AU Capo, RC Stewart, BW Rowan, EL Kohl, CAK Wall, AJ Chapman, EC Hammack, RW Schroeder, KT AF Capo, Rosemary C. Stewart, Brian W. Rowan, Elisabeth L. Kohl, Courtney A. Kolesar Wall, Andrew J. Chapman, Elizabeth C. Hammack, Richard W. Schroeder, Karl T. TI The strontium isotopic evolution of Marcellus Formation produced waters, southwestern Pennsylvania SO INTERNATIONAL JOURNAL OF COAL GEOLOGY LA English DT Article DE Geochemistry; Produced water; Strontium; Sr isotope; Unconventional resources; Marcellus shale ID POTENTIAL CONTAMINANT PATHWAYS; HYDRAULICALLY FRACTURED SHALE; UTILIZATION BY-PRODUCTS; NATURAL-GAS EXTRACTION; ACID-MINE DRAINAGE; APPALACHIAN PLATEAU; FLUID MIGRATION; BASIN BRINES; QUALITY; IMPACTS AB The production of natural gas and natural gas liquids from unconventional tight shale formations involves hydraulic fracturing and subsequent removal of fluids co-produced with the gas. The chemistry of the returning fluid reflects the original composition of the injection water, mobilized constituents in the shale formation, and co-mingled formation waters liberated by hydraulic fracturing. Produced water from unconventional gas wells tapping the Middle Devonian Marcellus Formation is characterized by high total dissolved solids (IDS), including very high strontium concentrations. In this study, the strontium isotope composition (Sr-87/Sr-86) was measured in produced waters from four horizontally drilled, hydraulically fractured Marcellus shale gas wells in southwestern Pennsylvania, sampled from the first day after commencement of flowback to as much as 27 months later. The 87Sr/86Sr of the waters tended to change rapidly over the first few days of water return, and then approached (but did not reach) a constant range of values from 0.7113 to 0.7114, which appears to be characteristic of this part of the Marcellus play. In contrast, the concentration of Sr rose more slowly and appeared to hit a steady state value (up to 3000 mg/L) by the end of the first year. Taken together with results from earlier work, these data suggest mixing between injected frac fluid and high-TDS formation water, highly enriched in Sr, and isotopically relatively uniform throughout the Marcellus shale gas play. This brine could exist within porous lenses of organic matter in the shale, in pre-existing fractures within the shale, and/or originate from fluids that migrated from adjacent formations at some point during the post-depositional history of the basin. (C) 2013 Elsevier B.V. All rights reserved. C1 [Capo, Rosemary C.; Stewart, Brian W.; Kohl, Courtney A. Kolesar; Wall, Andrew J.; Chapman, Elizabeth C.] Univ Pittsburgh, Dept Geol & Planetary Sci, Pittsburgh, PA 15260 USA. [Capo, Rosemary C.; Stewart, Brian W.; Kohl, Courtney A. Kolesar] NETL Reg Univ Alliance, Pittsburgh, PA USA. [Rowan, Elisabeth L.] US Geol Survey, Reston, VA 20192 USA. [Wall, Andrew J.; Hammack, Richard W.; Schroeder, Karl T.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Capo, RC (reprint author), Univ Pittsburgh, Dept Geol & Planetary Sci, Pittsburgh, PA 15260 USA. EM rcapo@pitt.edu FU U.S. Department of Energy, Office of Fossil Energy, under the Office of Oil and Natural Gas (Energy Policy Act of , Section 999 Complementary Program Research); Oak Ridge Institute for Science and Education at the National Energy Technology Laboratory; National Energy Technology Laboratory's ongoing research under the RES [DE-FE0004000] FX This work was supported by the U.S. Department of Energy, Office of Fossil Energy, under the Office of Oil and Natural Gas (Energy Policy Act of 2005, Section 999 Complementary Program Research), as performed through the Oak Ridge Institute for Science and Education at the National Energy Technology Laboratory (AW) and the National Energy Technology Laboratory's ongoing research under the RES contract DE-FE0004000 (RCC and BWS). NR 62 TC 15 Z9 15 U1 3 U2 52 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-5162 EI 1872-7840 J9 INT J COAL GEOL JI Int. J. Coal Geol. PD JUN 1 PY 2014 VL 126 SI SI BP 57 EP 63 DI 10.1016/j.coal.2013.12.010 PG 7 WC Energy & Fuels; Geosciences, Multidisciplinary SC Energy & Fuels; Geology GA AG5AI UT WOS:000335431100006 ER PT J AU Sams, JI Veloski, G Smith, BD Minsley, BJ Engle, MA Lipinski, BA Hammack, R Zupancic, JW AF Sams, James I. Veloski, Garret Smith, Bruce D. Minsley, Burke J. Engle, Mark A. Lipinski, Brian A. Hammack, Richard Zupancic, John W. TI Application of near-surface geophysics as part of a hydrologic study of a subsurface drip irrigation system along the Powder River floodplain near Arvada, Wyoming SO INTERNATIONAL JOURNAL OF COAL GEOLOGY LA English DT Article DE Geophysics; Groundwater; Agriculture; Produced water management; Irrigation; Geographic information system ID BASIN AB Rapid development of coalbed natural gas (CBNG) production in the Powder River Basin (PRB) of Wyoming has occurred since 1997. National attention related to CBNG development has focused on produced water management, which is the single largest cost for on-shore domestic producers. Low-cost treatment technologies allow operators to reduce their disposal costs, provide treated water for beneficial use, and stimulate oil and gas production by small operators. Subsurface drip irrigation (SDI) systems are one potential treatment option that allows for increased CBNG production by providing a beneficial use for the produced water in farmland irrigation. Water management practices in the development of CBNG in Wyoming have been aided by integrated geophysical, geochemical, and hydrologic studies of both the disposal and utilization of water. The U.S. Department of Energy (DOE) National Energy Technology Laboratory (NETL) and the U.S. Geological Survey (USGS) have utilized multi-frequency airborne, ground, and borehole electromagnetic (EM) and ground resistivity methods to characterize the near-surface hydrogeology in areas of produced water disposal. These surveys provide near-surface EM data that can be compared with results of previous surveys to monitor changes in soils and local hydrology over time as the produced water is discharged through SDI. The focus of this investigation is the Headgate Draw SDI site, situated adjacent to the Powder River near the confluence of a major tributary, Crazy Woman Creek, in Johnson County, Wyoming. The SDI system was installed during the summer of 2008 and began operation in October of 2008. Ground, borehole, and helicopter electromagnetic (HEM) conductivity surveys were conducted at the site prior to the installation of the SDI system. After the installation of the subsurface drip irrigation system, ground EM surveys have been performed quarterly (weather permitting). The geophysical surveys map the heterogeneity of the near-surface geology and hydrology of the study area. The geophysical data are consistent between surveys using different techniques and between surveys carried out at different times from 2007 through 2011. This paper summarizes geophysical results from the 4-year monitoring study of the SDI system. Published by Elsevier B.V. C1 [Sams, James I.; Veloski, Garret; Lipinski, Brian A.; Hammack, Richard] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Smith, Bruce D.; Minsley, Burke J.] US Geol Survey, Denver, CO 80225 USA. [Engle, Mark A.] US Geol Survey, Reston, VA 20192 USA. [Zupancic, John W.] BeneTerra LLC, Sheridan, WY 82801 USA. RP Sams, JI (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. OI Engle, Mark/0000-0001-5258-7374; Minsley, Burke/0000-0003-1689-1306 FU U.S. Energy Policy Act, U.S. Dept of Energy; USGS Energy Resources Program FX Funding for this project was provided by the U.S. Energy Policy Act, U.S. Dept of Energy, and USGS Energy Resources Program. The authors would like to thank Don Fischer and staff from the Wyoming Department of Environmental Quality for providing technical support and assistance. The authors would also like to thank the staff at BeneTerra Consulting for their cooperation and assistance in support of data collection and field work at the Headgate Draw site. NR 24 TC 0 Z9 0 U1 0 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-5162 EI 1872-7840 J9 INT J COAL GEOL JI Int. J. Coal Geol. PD JUN 1 PY 2014 VL 126 SI SI BP 128 EP 139 DI 10.1016/j.coal.2013.10.009 PG 12 WC Energy & Fuels; Geosciences, Multidisciplinary SC Energy & Fuels; Geology GA AG5AI UT WOS:000335431100012 ER PT J AU Hawksworth, EL Andrews, PC Lie, W Lai, B Dillon, CT AF Hawksworth, Emma L. Andrews, Philip C. Lie, Wilford Lai, Barry Dillon, Carolyn T. TI Biological evaluation of bismuth non-steroidal anti-inflammatory drugs (BiNSAIDs): Stability, toxicity and uptake in HCT-8 colon cancer cells SO JOURNAL OF INORGANIC BIOCHEMISTRY LA English DT Article DE Bismuth; Colon cancer; Non-steroidal anti-inflammatory drug; Microprobe synchrotron radiation X-ray; fluorescence imaging ID MITOCHONDRIAL OXIDATIVE-PHOSPHORYLATION; COLORECTAL ADENOMAS; IN-VITRO; COLORIMETRIC ASSAY; ANTITUMOR-ACTIVITY; RAT HEPATOCYTES; GENE-EXPRESSION; CELLULAR UPTAKE; COMPLEXES; PROLIFERATION AB Recent studies showed that the metal-coordinated non-steroidal anti-inflammatory drug (NSAID), copper indomethacin, reduced aberrant crypt formation in the rodent colon cancer model, while also exhibiting gastrointestinal sparing properties. In the present study, the stability and biological activity of three BiNSAIDs of the general formula [Bi(L)(3)](n), where L = diflunisal (difl), mefenamate (mef) or tolfenamate (tolf) were examined. NMR spectroscopy of high concentrations of BiNSAIDs (24 h in cell medium, 37 C) indicated that their structural stability and interactions with cell medium components were NSAID specific. Assessment of cell viability using the [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-tetrazolium]bromide (MIT) assay showed that the toxicity ranking of the BiNSAIDs paralleled those of the respective free NSAIDs: diflH < mefli < tolfH. While the IC50 values of the BiNSAIDs (ranging between 16 and 81 [mu M) were lower than the free NSAIDs, it was apparent that the toxicity of the BiNSAIDs was due to the molar ratio of the three NSAID molecules contained in the BiNSAIDs, with the exception of [Bi(difl)3]. The highest cellular bismuth content was observed following treatment with [Bi(tolf)(3)]. Since NMR studies indicated that [Bi(tolf)(3)] was the most stable BiNSAID and that cellular uptake of bismuth correlated with structural stability it appears that bismuth uptake is assisted by the NSAID. Microprobe SR-XRF imaging showed that the intracellular fate of bismuth was independent of the specific BiNSAID treatment whereby all BiNSAID-treated cells showed bismuth accumulation in the cytoplasm within 24-h exposure. The size and location of the hot spots (0.3-5.8 mu m(2)), were consistent with cellular organelles such as lysosomes. (C) 2014 Elsevier Inc. All rights reserved. C1 [Hawksworth, Emma L.; Lie, Wilford; Dillon, Carolyn T.] Univ Wollongong, Sch Chem, Wollongong, NSW 2522, Australia. [Andrews, Philip C.] Monash Univ, Sch Chem, Clayton, Vic 3168, Australia. [Lai, Barry] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Dillon, CT (reprint author), Univ Wollongong, Sch Chem, Wollongong, NSW 2522, Australia. EM carolynd@uow.edu.au FU U.S. Department of Energy (DOE) [DEACO2-06CH11357]; CTD; ELH; International Synchrotron Access Program (ISAP); Australian Synchrotron; Australian Government FX The use of the Advanced Photon Source was supported by the U.S. Department of Energy (DOE) Office of Science under Contract No. DEACO2-06CH11357. CTD and ELH acknowledge travel funding provided by the International Synchrotron Access Program (ISAP) managed by the Australian Synchrotron and funded by the Australian Government. The authors thank Mr I Kumar (School of Chemistry, Monash University) for synthesis of the BiNSAIDs. ELH acknowledges the Australian Government for her Australian Postgraduate Award and CID acknowledges the UOW small grant scheme for financial support of this project. NR 63 TC 7 Z9 7 U1 4 U2 23 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 JUN PY 2014 VL 135 BP 28 EP 39 DI 10.1016/ijinorgbio.2014.02.012 PG 12 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA AG4ZZ UT WOS:000335430200004 PM 24650572 ER PT J AU Partenheimer, W Fulton, JL Sorensen, CM Pham, VT Chen, YS AF Partenheimer, Walter Fulton, John L. Sorensen, Christina M. Van-Thai Pham Chen, Yongsheng TI The aerobic oxidation of bromide to dibromine catalyzed by homogeneous oxidation catalysts and initiated by nitrate in acetic acid SO JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL LA English DT Article DE Dibromine; Bromination; Homogeneous oxidation catalysts; Cobalt; Manganese ID MOLECULAR-OXYGEN; AUTOXIDATION; OXYBROMINATION; COBALT(II); DIOXYGEN AB For similar to 50 years mixtures of cobalt(II) and manganese(II) acetates with sodium bromide or hydrobromic acid in acetic acid have been used as catalysts for the homogeneous aerobic oxidation of alkylaromatic compounds. They are known to be stable mixtures. While characterizing this mixture via EXAFS, it was thus surprising to observe an unexpected change in the color of the reaction mixture from deep blue to yellow or orange. Subsequent characterization of the reaction via UV-vis and EXAFS showed that the color change was due to the oxidation of bromide to dibromine. The reaction was found to require the presence of dioxygen. It was found via MALDI, IR and other methods, that the commercial source of cobalt(II) acetate contained a small amount of nitrate impurity. It is the presence of nitrate that caused the oxidation of bromide since intentional addition of various nitrate compounds causes the reaction to occur. Nitrate is likely initiating a chain reaction. The dibromine formed is an active bromination agent. Thus we show that an inexpensive, in-situ preparatory method for generating dibromine is a Mn(II) acetate/nitrate/bromide/air mixture. We show that the reaction, for T< 40 degrees C, is autocatalytic and its initiation and reaction times are dependent on a number of variables such as temperature, nitrate concentration, type of bromide and metal, pH, water concentration in acetic acid, and purity of the solvent., A cautionary note: the accidental addition of nitrate into a catalyst feed tank used for homogeneous oxidation of alkylaromatics in pilot plants or commercial plants could cause the bromide to oxidize to dibromine. This could be potentially dangerous and/or result in decreased yields. (c) 2014 Elsevier B.V. All rights reserved. C1 [Partenheimer, Walter] EI DuPont de Nemours & Co Inc, CR&D, Expt Stn, Wilmington, DE 19880 USA. [Fulton, John L.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99354 USA. [Sorensen, Christina M.] Pacific NW Natl Lab, Biol & Phys Sci Div, Richland, WA 99354 USA. [Van-Thai Pham] Vietnam Acad Sci & Technol, Ctr Quantum Elect, Inst Phys, Hanoi 10000, Vietnam. [Chen, Yongsheng] Penn State Univ, EMS Energy Inst, University Pk, PA 16802 USA. [Chen, Yongsheng] Penn State Univ, Dept Energy & Mineral Engn, University Pk, PA 16802 USA. RP Partenheimer, W (reprint author), EI DuPont de Nemours & Co Inc, CR&D, Expt Stn, Wilmington, DE 19880 USA. EM wpartenheimer1@gmail.com RI Chen, Yongsheng/P-4800-2014 FU U.S. Department of Energy (DOE); Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences; Pacific Northwest National Laboratory (PNNL); US Department of Energy Basic Energy Sciences; University of Washington; U.S. Department of Energy (DOE) Office of Science; U.S. DOE [DE-ACO2-06CH11357] FX J.L.F., C.M.S., V.T.P., and Y.C. were supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is operated for the U.S. DOE by Battelle. PNC/XSD facilities at the Advanced Photon Source, and research at these facilities, are supported by the US Department of Energy Basic Energy Sciences, the Canadian Light Source and its funding partners, the University of Washington, and the Advanced Photon Source. 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-ACO2-06CH11357. NR 22 TC 0 Z9 1 U1 1 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1381-1169 EI 1873-314X J9 J MOL CATAL A-CHEM JI J. Mol. Catal. A-Chem. PD JUN PY 2014 VL 387 BP 130 EP 137 DI 10.1016/j.molcata.2014.02.026 PG 8 WC Chemistry, Physical SC Chemistry GA AG7XZ UT WOS:000335633400016 ER PT J AU Zucali, M Voltolini, M Ouladdiaf, B Mancini, L Chateigner, D AF Zucali, M. Voltolini, M. Ouladdiaf, B. Mancini, L. Chateigner, D. TI The 3D quantitative lattice and shape preferred orientation of a mylonitised metagranite from Monte Rosa (Western Alps): Combining neutron diffraction texture analysis and synchrotron X-ray microtomography SO JOURNAL OF STRUCTURAL GEOLOGY LA English DT Article DE Neutron texture; Synchrotron microtomography; ODF; 3D ID P-T PATHS; METAMORPHIC EVOLUTION; PLASTIC-DEFORMATION; SHEAR ZONES; SEISMIC ANISOTROPY; FABRIC DEVELOPMENT; VOLCANIC-ROCKS; NAPPE; QUARTZ; SYSTEM AB Two complementary 3D techniques, neutron diffraction and synchrotron X-ray microtomography (SXR-mu CT), were used to compare the Shape and Lattice Preferred Orientations of a mylonitised metagranite from the Monte Rosa unit (Western Alps, Italy). The goal of using these techniques was to obtain two different orientation distribution functions. Although the two functions describe relatively independent characteristics of the rock fabric, nonetheless they also exhibit close relationships to macroscopic fabrics and may be complementarily used to quantify rock fabrics and microstructures, thereby highlighting 3D features that cannot be obtained with either technique, if used independently. We describe an approach that can be potentially useful in various disciplines, e.g., structural geology, rock mechanics, tectonics and geophysics, when a complete data set of preferred orientations and size distribution is needed. Micas display a strong orthorhombic symmetry between mesoscopic lineation and microscopic SPO and LPO, whereas quartz and feldspars are characterised by a monoclinic symmetry between mesoscopic lineation and LPO. These observations suggest a rheological decoupling between the weak phase mica layers and the stronger quartz + feldspar layers. This mechanical decoupling occurred during the Alpine subduction-collision, when the Monte Rosa unit was part of the Insubric Line system and accommodated large vertical strain. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Zucali, M.] Univ Milan, DST Dipartimento Sci Terra Desio, I-20133 Milan, Italy. [Voltolini, M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Ouladdiaf, B.] ILL Grenoble, F-38042 Grenoble 9, France. [Mancini, L.] Elettra Sincrotrone Trieste SCpA, I-34149 Trieste, Italy. [Chateigner, D.] Univ Caen Basse Normandie, CRISMAT ENSICAEN, F-14050 Caen, France. [Chateigner, D.] Univ Caen Basse Normandie, IUT Caen, F-14050 Caen, France. RP Zucali, M (reprint author), Univ Milan, DST Dipartimento Sci Terra Desio, Via Mangiagalli 34, I-20133 Milan, Italy. EM Michele.Zucali@unimi.it RI zucali, michele/B-5069-2009; Voltolini, Marco/G-2781-2015; OI zucali, michele/0000-0003-3600-7856; Mancini, Lucia/0000-0003-2416-3464; Chateigner, Daniel/0000-0001-7792-8702 NR 96 TC 6 Z9 6 U1 3 U2 18 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0191-8141 J9 J STRUCT GEOL JI J. Struct. Geol. PD JUN PY 2014 VL 63 BP 91 EP 105 DI 10.1016/j.jsg.2014.02.011 PG 15 WC Geosciences, Multidisciplinary SC Geology GA AG7TG UT WOS:000335621000007 ER PT J AU Tschaplinski, TJ Plett, JM Engle, NL Deveau, A Cushman, KC Martin, MZ Doktycz, MJ Tuskan, GA Brun, A Kohler, A Martin, F AF Tschaplinski, Timothy J. Plett, Jonathan M. Engle, Nancy L. Deveau, Aurelie Cushman, Katherine C. Martin, Madhavi Z. Doktycz, Mitchel J. Tuskan, Gerald A. Brun, Annick Kohler, Annegret Martin, Francis TI Populus trichocarpa and Populus deltoides Exhibit Different Metabolomic Responses to Colonization by the Symbiotic Fungus Laccaria bicolor SO MOLECULAR PLANT-MICROBE INTERACTIONS LA English DT Article ID CARBOHYDRATE-METABOLISM; ACID-METABOLISM; ROOTS; ECTOMYCORRHIZAS; MYCORRHIZAL; GENE; TRANSLOCATION; ASSIMILATION; DEGRADATION; RHIZOSPHERE AB Within boreal and temperate forest ecosystems, the majority of trees and shrubs form beneficial relationships with mutualistic ectomycorrhizal (ECM) fungi that support plant health through increased access to nutrients as well as aiding in stress and pest tolerance. The intimate interaction between fungal hyphae and plant roots results in a new symbiotic "organ" called the ECM root tip. Little is understood concerning the metabolic reprogramming that favors the formation of this hybrid tissue in compatible interactions and what prevents the formation of ECM root tips in incompatible interactions. We show here that the metabolic changes during favorable colonization between the ECM fungus Laccaria bicolor and its compatible host, Populus trichocarpa, are characterized by shifts in aromatic acid, organic acid, and fatty acid metabolism. We demonstrate that this extensive metabolic reprogramming is repressed in incompatible interactions and that more defensive compounds are produced or retained. We also demonstrate that L. bicolor can metabolize a number of secreted defensive compounds and that the degradation of some of these compounds produces immune response metabolites (e.g., salicylic acid from salicin). Therefore, our results suggest that the metabolic responsiveness of plant roots to L. bicolor is a determinant factor in fungus host interactions. C1 [Tschaplinski, Timothy J.; Engle, Nancy L.; Cushman, Katherine C.; Martin, Madhavi Z.; Doktycz, Mitchel J.; Tuskan, Gerald A.] Oak Ridge Natl Lab, Plant Syst Biol Grp, Biosci Div, Oak Ridge, TN 37831 USA. [Plett, Jonathan M.; Deveau, Aurelie; Brun, Annick; Kohler, Annegret; Martin, Francis] Ctr INRA Nancy, UMR INRA UHP Interact Arbres Microorganismes 1136, F-54280 Champenoux, France. [Plett, Jonathan M.] Univ Western Sydney, Hawkesbury Inst Environm, Richmond, NSW 2753, Australia. RP Plett, JM (reprint author), Ctr INRA Nancy, UMR INRA UHP Interact Arbres Microorganismes 1136, F-54280 Champenoux, France. EM j.plett@uws.edu.au RI Doktycz, Mitchel/A-7499-2011; Tuskan, Gerald/A-6225-2011; OI Doktycz, Mitchel/0000-0003-4856-8343; Tuskan, Gerald/0000-0003-0106-1289; Tschaplinski, Timothy/0000-0002-9540-6622; Martin, Madhavi/0000-0002-6677-2180; Engle, Nancy/0000-0003-0290-7987 FU European Commission [FP7-211917]; ANR; U.S. Department of Energy, Office of Science, Biological and Environmental Research [DE-AC05-00OR22725] FX This work was supported by the European Commission within the Project ENERGYPOPLAR (FP7-211917) and the ANR project FungEffector (to F. Martin). This research was also sponsored by the Genomic Science Program (Science Focus Area 'Plant:Microbe Interfaces'), U.S. Department of Energy, Office of Science, Biological and Environmental Research under the contract DE-AC05-00OR22725. E Martin's research group is part of the Laboratory of Excellence ARBRE (ANR-11-LABX-0002-01). NR 40 TC 13 Z9 13 U1 6 U2 46 PU AMER PHYTOPATHOLOGICAL SOC PI ST PAUL PA 3340 PILOT KNOB ROAD, ST PAUL, MN 55121 USA SN 0894-0282 EI 1943-7706 J9 MOL PLANT MICROBE IN JI Mol. Plant-Microbe Interact. PD JUN PY 2014 VL 27 IS 6 BP 546 EP 556 DI 10.1094/MPMI-09-13-0286-R PG 11 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Plant Sciences SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Plant Sciences GA AG7YU UT WOS:000335635500005 PM 24548064 ER PT J AU Van Goethem, D Potters, G De Smedt, S Gu, LH Samson, R AF Van Goethem, Davina Potters, Geert De Smedt, Sebastiaan Gu, Lianhong Samson, Roeland TI Seasonal, diurnal and vertical variation in photosynthetic parameters in Phyllostachys humilis bamboo plants SO PHOTOSYNTHESIS RESEARCH LA English DT Article DE A/C-i curves; A/PAR curves; Bamboo; Chlorophyll fluorescence; Dark respiration ID DIOXIDE RESPONSE CURVES; CHLOROPHYLL FLUORESCENCE; DECIDUOUS FOREST; LEAF NITROGEN; MESOPHYLL CONDUCTANCE; STOMATAL CONDUCTANCE; TEMPERATURE RESPONSE; CARBON-DIOXIDE; GAS-EXCHANGE; SCOTS PINE AB In recent years, temperate bamboo species have been introduced in Europe for multiple uses such as renewable bio-based materials (wood, composites, fibres, biochemicalsaEuro broken vertical bar) and numerous ecological functions (soil and water conservation, erosion control, phytoremediationaEuro broken vertical bar). Despite their interesting potential, little is known on the ecophysiology of these plants in their new habitat. Therefore, we studied gas exchange parameters on a full soil bamboo plantation of Phyllostachys humilis on a test field in Ireland (Europe). We evaluated the seasonal, diurnal and vertical variation of the parameters of two commonly used photosynthetic models, i.e. the light response curve (LRC) model and the model of Farquhar, von Caemmerer and Berry (FvCB). Furthermore, we tested if there were environmental effects on the photosynthetic parameters of these models and if a correlation between photosynthetic parameters and fluorescence parameters was present, fluorescence parameters can be easily and fast determined. Our results show that the gas exchange parameters do not vary diurnally or vertically. Only seasonal variations were found and should, therefore, be taken into account when using the LRC or FvCB model when modelling canopy growth. Therefore, a big-leaf model or a sunlit-shade model can be used for modelling bamboo growth in Western Europe. There is no straightforward relation between environmental variables and the photosynthetic parameters. Although fluorescence parameters showed a correlation with the photosynthetic parameters, application of such correlation may be limited. C1 [Van Goethem, Davina; Potters, Geert; De Smedt, Sebastiaan; Samson, Roeland] Univ Antwerp, Dept Biosci Engn, B-2020 Antwerp, Belgium. [Potters, Geert] Antwerp Maritime Acad, Antwerp, Belgium. [Gu, Lianhong] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Van Goethem, D (reprint author), Univ Antwerp, Dept Biosci Engn, B-2020 Antwerp, Belgium. EM davina.vangoethem@ua.ac.be RI Gu, Lianhong/H-8241-2014 OI Gu, Lianhong/0000-0001-5756-8738 NR 95 TC 1 Z9 1 U1 2 U2 58 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 JUN PY 2014 VL 120 IS 3 BP 331 EP 346 DI 10.1007/s11120-014-9992-9 PG 16 WC Plant Sciences SC Plant Sciences GA AG9NV UT WOS:000335747200009 PM 24585025 ER PT J AU Bagshaw, C Isdell, AE Thiruvaiyaru, DS Brisbin, IL Sanchez, S AF Bagshaw, Clarence Isdell, Allen E. Thiruvaiyaru, Dharma S. Brisbin, I. Lehr, Jr. Sanchez, Susan TI Molecular detection of canine parvovirus in flies (Diptera) at open and closed canine facilities in the eastern United States SO PREVENTIVE VETERINARY MEDICINE LA English DT Article DE Canine parvovirus (CPV); Diptera Canine facility; Real-time PCR assay; Vector capacity; Open vs. closed facility ID ENTERITIS; DOGS AB More than thirty years have passed since canine parvovirus (CPV) emerged as a significant pathogen and it continues to pose a severe threat to world canine populations. Published information suggests that flies (Diptera) may play a role in spreading this virus; however, they have not been studied extensively and the degree of their involvement is not known. This investigation was directed toward evaluating the vector capacity of such flies and determining their potential role in the transmission and ecology of CPV. Molecular diagnostic methods were used in this cross-sectional study to detect the presence of CPV in flies trapped at thirty-eight canine facilities. The flies involved were identified as belonging to the house fly (Mucidae), flesh fly (Sarcophagidae) and blow/bottle fly (Calliphoridae) families. A primary surveillance location (PSL) was established at a canine facility in south-central South Carolina, USA, to identify fly virus interaction within the canine facility environment. Flies trapped at this location were pooled monthly and assayed for CPV using polymerase chain reaction (PCR) methods. These insects were found to be positive for CPV every month from February through the end of November 2011. Fly vector behavior and seasonality were documented and potential environmental risk factors were evaluated. Statistical analyses were conducted to compare the mean numbers of each of the three fly families captured, and after determining fly CPV status (positive or negative), it was determined whether there were significant relationships between numbers of flies captured, seasonal numbers of CPV cases, temperature and rainfall. Flies were also sampled at thirty-seven additional canine facility surveillance locations (ASL) and at four non-canine animal industry locations serving as negative field controls. Canine facility risk factors were identified and evaluated. Statistical analyses were conducted on the number of CPV cases reported within the past year to determine the correlation of fly CPV status (positive or negative) for each facility, facility design (open or closed), mean number of dogs present monthly and number of flies captured. Significant differences occurred between fly CPV positive vs. negative sites with regard to their CPV case numbers, fly numbers captured, and number of dogs present. At the ASL, a statistically significant relationship was found between PCR-determined fly CPV status (positive or negative) and facility design (open vs. closed). Open-facility designs were likely to have more CPV outbreaks and more likely to have flies testing positive for CPV DNA. (C) 2014 Elsevier B.V. All rights reserved. C1 [Bagshaw, Clarence] Edgefield Vet Clin, Edgefield, SC 29824 USA. [Isdell, Allen E.] Field Entomologist, Augusta, GA 30906 USA. [Thiruvaiyaru, Dharma S.] Georgia Regents Univ, Dept Math, Augusta, GA 30904 USA. [Brisbin, I. Lehr, Jr.] Savannah River Ecol Lab, Aiken, SC 29801 USA. [Sanchez, Susan] Univ Georgia, Coll Vet Med, Athens Vet Diagnost Lab, Athens, GA 30601 USA. RP Bagshaw, C (reprint author), Edgefield Vet Clin, 218 Augusta Rd, Edgefield, SC 29824 USA. EM drbagshaw@bellsouth.net FU Edgefield Veterinary Clinic, Edgefield, SC, USA; Allen Isdell, AE, Augusta, GA, USA; U.S. Department of Energy [DE-FC09-07SR 22506] FX This study was funded by the Edgefield Veterinary Clinic, Edgefield, SC, USA, and Allen Isdell, AE, Augusta, GA, USA. The authors thank Diane M. Peterson for invaluable technical assistance and Jerome A. Hogsette, Jr., of the USDA-ARS Center for Medical, Agricultural and Veterinary Entomology, Gainesville, FL, USA, for providing a critical reading of the manuscript. Manuscript preparation was supported, in part, by the U.S. Department of Energy under award number DE-FC09-07SR 22506 to the University of Georgia Research Foundation. NR 24 TC 5 Z9 5 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-5877 EI 1873-1716 J9 PREV VET MED JI Prev. Vet. Med. PD JUN 1 PY 2014 VL 114 IS 3-4 BP 276 EP 284 DI 10.1016/j.prevetmed.2014.02.005 PG 9 WC Veterinary Sciences SC Veterinary Sciences GA AG7XV UT WOS:000335633000013 PM 24679715 ER PT J AU Davis, JJ Olsen, GJ Overbeek, R Vonstein, V Xia, FF AF Davis, James J. Olsen, Gary J. Overbeek, Ross Vonstein, Veronika Xia, Fangfang TI In search of genome annotation consistency: solid gene clusters and how to use them SO 3 BIOTECH LA English DT Article DE Automatic annotation; Protein clusters ID DATABASE; GENERATION AB Maintaining consistency in genome annotations is important for supporting many computational tasks, particularly metabolic modeling. The SEED project has implemented a process that improves annotation consistencies across microbial genomes for proteins with conserved sequences and genomic context. In this research report, we describe this process and show how this effort has resulted in improvements to microbial genome annotations in the SEED. We also compare SEED annotation consistencies with other commonly used resources such as IMG (the Joint Genome Institute's Integrated Microbial Genomes system), RefSeq (the National Center for Biotechnology Information's Reference Sequence Database), Swiss-Prot (the annotated protein sequence database of the Swiss Institute of Bioinformatics, European Molecular Biology Laboratory and the European Bioinformatics Institute) and TrEMBL (Translated European Molecular Biology Laboratory nucleotide sequence data Library). Our analysis indicates that manual and computational efforts are paying off for the databases where consistency is a major goal. C1 [Davis, James J.; Olsen, Gary J.] Univ Illinois, Inst Genom Biol, Urbana, IL 61801 USA. [Olsen, Gary J.] Univ Illinois, Dept Microbiol, Urbana, IL 61801 USA. [Overbeek, Ross; Vonstein, Veronika] Fellowship Interpretat Genomes, Burr Ridge, IL 60527 USA. [Overbeek, Ross; Xia, Fangfang] Argonne Natl Lab, Math & Comp Sci, Argonne, IL 60439 USA. RP Davis, JJ (reprint author), Univ Illinois, Inst Genom Biol, MC-195,1206 W Gregory Dr, Urbana, IL 61801 USA. EM james2@illinois.edu FU United States National Institutes of Health; National Institute of Allergy and Infectious Diseases; Department of Health and Human Services [HHSN272200900040C]; Office of Science, Office of Biological and Environmental Research, of the United States Department of Energy as part of the DOE Systems Biology Knowledgebase [DE-AC02-06CH11357]; University of Illinois Institute for Genomic Biology Fellows Program FX We wish to thank the other FIG and KBase team members for assistance on this project. We also thank Matthew Benedict for his helpful suggestions. This work was supported by the United States National Institutes of Health, National Institute of Allergy and Infectious Diseases, and Department of Health and Human Services under Grant number HHSN272200900040C; the Office of Science, Office of Biological and Environmental Research, of the United States Department of Energy under contract number DE-AC02-06CH11357, as part of the DOE Systems Biology Knowledgebase and by the University of Illinois Institute for Genomic Biology Fellows Program. NR 12 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 2190-5738 EI 2190-572X J9 3 BIOTECH JI 3 Biotech PD JUN PY 2014 VL 4 IS 3 BP 331 EP 335 DI 10.1007/s13205-013-0152-2 PG 5 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA CM9RC UT WOS:000358045600013 PM 28324432 ER PT J AU Roshchanka, V Evans, M AF Roshchanka, Volha Evans, Meredydd TI Incentives for methane mitigation and energy-efficiency improvements in the case of Ukraine's natural gas transmission system SO EARTHS FUTURE LA English DT Article DE methane mitigation; greenhouse gases; energy policy; environmental policy; natural gas transmission; Ukraine AB Reducing methane losses is a concern for climate change policy and energy policy. The energy sector is the major source of anthropogenic methane emissions into the atmosphere in Ukraine. Reducing methane emissions and avoiding combustion can be very cost-effective, but various barriers prevent such energy-efficiency measures from taking place. To date, few examples of industry-wide improvements exist. One example of substantial investments into upgrading natural gas transmission system comes from Ukraine's natural gas transmission company, Ukrtransgaz. The company's investments into system upgrades, along with a 34% fall in throughput, resulted in reduction of Ukrtransgaz system's own consumption of natural gas by 68% in 2011 compared to the level in 2005. Evaluating reductions in methane emissions is challenging because of lack of accurate data and gaps in accounting methodologies. At the same time, Ukraine's transmission system has undergone improvements that, at the very least, have contained methane emissions, if not substantially reduced them. In this paper, we describe recent developments in Ukraine's natural gas transmission system and analyze the incentives that forced the sector to pay close attention to its methane losses. Ukraine is one of the most energy-intensive countries, among the largest natural gas consumers in the world, and a significant emitter of methane. The country is also dependent on imports of natural gas. A combination of several factors has created conditions for successful reductions in methane emissions and combustion. These factors include: an eightfold increase in the price of imported natural gas; comprehensive domestic environmental and energy policies, such as the Laws of Ukraine on Protecting the Natural Environment and on Air Protection; policies aimed at integration with European Union's energy market and accession to the Energy Community Treaty; and the country's participation in international cooperation on environment, such as through the Joint Implementation mechanism and the voluntary Global Methane Initiative. Learning about such case studies can help policymakers and sustainability professionals design better policies elsewhere. C1 [Roshchanka, Volha] Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20742 USA. [Evans, Meredydd] Univ Maryland, Joint Global Change Res Inst, Pacific NW Natl Lab, College Pk, MD 20742 USA. RP Roshchanka, V (reprint author), Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20742 USA. EM volhar@umd.edu FU U.S. Environmental Protection Agency, Office of Air and Radiation; U.S. Department of Energy [DE-AC05-76RL01830] FX The authors are grateful for research support provided by U.S. Environmental Protection Agency, Office of Air and Radiation. The Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy under contract DE-AC05-76RL01830. The views and opinions expressed in this paper are those of the authors alone. NR 22 TC 0 Z9 0 U1 2 U2 2 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 2328-4277 J9 EARTHS FUTURE JI Earth Future PD JUN PY 2014 VL 2 IS 6 BP 321 EP 330 DI 10.1002/2013EF000204 PG 10 WC Environmental Sciences; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Geology; Meteorology & Atmospheric Sciences GA CN0WC UT WOS:000358133700004 ER PT J AU Erdemir, A Luo, JB AF Erdemir, Ali Luo, Jianbin TI Guest editorial: Special issue on superlubricity SO FRICTION LA English DT Editorial Material C1 [Erdemir, Ali] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. [Luo, Jianbin] Tsinghua Univ, State Key Lab Tribol, Beijing 100084, Peoples R China. RP Erdemir, A (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 0 TC 1 Z9 1 U1 1 U2 1 PU TSINGHUA UNIV PRESS PI BEIJING PA TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 100084, PEOPLES R CHINA SN 2223-7690 EI 2223-7704 J9 FRICTION JI Friction PD JUN PY 2014 VL 2 IS 2 SI SI BP 93 EP 94 DI 10.1007/s40544-014-0058-y PG 2 WC Engineering, Mechanical SC Engineering GA V45UN UT WOS:000209841600001 ER PT J AU Erdemir, A Eryilmaz, O AF Erdemir, Ali Eryilmaz, Osman TI Achieving superlubricity in DLC films by controlling bulk, surface, and tribochemistry SO FRICTION LA English DT Review DE Superlubricity; diamond-like carbon; TOF-SIMS; test environment; lubrication mechanisms AB Superlubricity refers to a sliding regime in which contacting surfaces move over one another without generating much adhesion or friction [1]. From a practical application point of view, this will be the most ideal tribological situation for many moving mechanical systems mainly because friction consumes large amounts of energy and causes greenhouse gas emissions [2]. Superlubric sliding can also improve performance and durability of these systems. In this paper, we attempt to provide an overview of how controlled or targeted bulk, surface, or tribochemistry can lead to superlubricity in diamond-like carbon (DLC) films. Specifically, we show that how providing hydrogen into bulk and near surface regions as well as to sliding contact interfaces of DLC films can lead to super-low friction and wear. Incorporation of hydrogen into bulk DLC or near surface regions can be done during deposition or through hydrogen plasma treatment after the deposition. Hydrogen can also be fed into the sliding contact interfaces of DLCs during tribological testing to reduce friction. Due to favorable tribochemical interactions, these interfaces become very rich in hydrogen and thus provide super-low friction after a brief run-in period. Regardless of the method used, when sliding surfaces of DLC films are enriched in hydrogen, they then provide some of the lowest friction coefficients (i.e., down to 0.001). Time-of-flight secondary ion mass spectrometer (TOF-SIMS) is used to gather evidence on the extent and nature of tribochemical interactions with hydrogen. Based on the tribological and surface analytical findings, we provide a mechanistic model for the critical role of hydrogen on superlubricity of DLC films. C1 [Erdemir, Ali; Eryilmaz, Osman] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Erdemir, A (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM erdemir@anl.gov FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy [DE-AC02-06CH11357] FX This work is supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, under Contract No. DE-AC02-06CH11357. The authors thank their colleagues and collaborators who participated in the preparation, testing, and characterization of the DLC coatings discussed in this paper. NR 68 TC 14 Z9 14 U1 1 U2 1 PU TSINGHUA UNIV PRESS PI BEIJING PA TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 100084, PEOPLES R CHINA SN 2223-7690 EI 2223-7704 J9 FRICTION JI Friction PD JUN PY 2014 VL 2 IS 2 SI SI BP 140 EP 155 DI 10.1007/s40544-014-0055-1 PG 16 WC Engineering, Mechanical SC Engineering GA V45UN UT WOS:000209841600005 ER PT J AU LaBute, MX McMahon, BH Brown, M Manore, C Fair, JM AF LaBute, Montiago X. McMahon, Benjamin H. Brown, Mac Manore, Carrie Fair, Jeanne M. TI A Flexible Spatial Framework for Modeling Spread of Pathogens in Animals with Biosurveillance and Disease Control Applications SO ISPRS INTERNATIONAL JOURNAL OF GEO-INFORMATION LA English DT Article DE spatial epidemiology; foot-and-mouth disease; H5N1 avian influenza; biosurveillance; epidemic simulation; geography ID FOOT-AND-MOUTH; AVIAN INFLUENZA-VIRUS; META-POPULATION APPROACH; RIFT-VALLEY FEVER; INFECTIOUS-DISEASES; GREAT-BRITAIN; H5N1 VIRUS; EPIDEMIC; TRANSMISSION; DYNAMICS AB Biosurveillance activities focus on acquiring and analyzing epidemiological and biological data to interpret unfolding events and predict outcomes in infectious disease outbreaks. We describe a mathematical modeling framework based on geographically aligned data sources and with appropriate flexibility that partitions the modeling of disease spread into two distinct but coupled levels. A top-level stochastic simulation is defined on a network with nodes representing user-configurable geospatial. patches.. Intra-patch disease spread is treated with differential equations that assume uniform mixing within the patch. We use U.S. county-level aggregated data on animal populations and parameters from the literature to simulate epidemic spread of two strikingly different animal diseases agents: foot-and-mouth disease and highly pathogenic avian influenza. Results demonstrate the capability of this framework to leverage low-fidelity data while producing meaningful output to inform biosurveillance and disease control measures. For example, we show that the possible magnitude of an outbreak is sensitive to the starting location of the outbreak, highlighting the strong geographic dependence of livestock and poultry infectious disease epidemics and the usefulness of effective biosurveillance policy. The ability to compare different diseases and host populations across the geographic landscape is important for decision support applications and for assessing the impact of surveillance, detection, and mitigation protocols. C1 [LaBute, Montiago X.; McMahon, Benjamin H.] Los Alamos Natl Lab, Theoret Biol & Biophys, Los Alamos, NM 87545 USA. [Brown, Mac] Los Alamos Natl Lab, Syst Engn & Integrat, Los Alamos, NM 87545 USA. [Manore, Carrie] Tulane Univ, Ctr Computat Sci, New Orleans, LA 70118 USA. [Manore, Carrie] Tulane Univ, Dept Math, New Orleans, LA 70118 USA. [Fair, Jeanne M.] Los Alamos Natl Lab, Biosecur & Publ Hlth, Los Alamos, NM 87545 USA. RP LaBute, MX (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys, MS K710, Los Alamos, NM 87545 USA. EM mlabute@gmail.com; mcmahon@lanl.gov; macbrown@lanl.gov; cmanore@tulane.edu; jmfair@lanl.gov FU Defense Threat Reduction Agency (DTRA) [CBT-09-IST-05-1-0092]; NSF [CHE-1314019]; U.S. Department of Energy [DE-AC52-06NA25396] FX This work was performed in part by Defense Threat Reduction Agency (DTRA) under CBT-09-IST-05-1-0092. CM was supported in part by NSF Grant CHE-1314019. We thank Hector Hinojosa for comments on an early manuscript draft. We have benefited from discussions with A. Deshpande, T. Doerr, and S. White. Los Alamos National Security, LLC, is operator of the Los Alamos National Laboratory (LANL) under Contract No. DE-AC52-06NA25396 with the U.S. Department of Energy. NR 62 TC 1 Z9 2 U1 1 U2 3 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2220-9964 J9 ISPRS INT GEO-INF JI ISPRS Int. Geo-Inf. PD JUN PY 2014 VL 3 IS 2 BP 638 EP 661 DI 10.3390/ijgi3020638 PG 24 WC Geography, Physical; Remote Sensing SC Physical Geography; Remote Sensing GA CO1RO UT WOS:000358933100014 ER PT J AU Karel, J Zhang, YN Bordel, C Stone, KH Chen, TY Jenkins, CA Smith, DJ Hu, J Wu, RQ Heald, SM Kortright, JB Hellman, F AF Karel, J. Zhang, Y. N. Bordel, C. Stone, K. H. Chen, T. Y. Jenkins, C. A. Smith, David J. Hu, J. Wu, R. Q. Heald, S. M. Kortright, J. B. Hellman, F. TI Using structural disorder to enhance the magnetism and spin-polarization in FexSi1-x thin films for spintronics SO MATERIALS RESEARCH EXPRESS LA English DT Article DE amorphous; thin film magnetism; spintronics; x-ray absorption; x-ray magnetic circular dichroism; density functional theory AB Amorphous FexSi1-x thin films exhibit a striking enhancement in magnetization compared to crystalline films with the same composition (0.45 < x < 0.75), and x-ray magnetic circular dichroism reveals an enhancement in both spin and orbital moments in the amorphous films. Density functional theory (DFT) calculations reproduce this enhanced magnetization and also show a relatively large spin-polarization at the Fermi energy, also seen experimentally in Andreev reflection. Theory and experiment show that the amorphous materials have a decreased number of nearest neighbors and reduced number density relative to the crystalline samples of the same composition; the associated decrease in Fe-Si neighbors reduces the hybridization of Fe orbitals, leading to the enhanced moment. C1 [Karel, J.; Hellman, F.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Karel, J.; Bordel, C.; Stone, K. H.; Kortright, J. B.; Hellman, F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Zhang, Y. N.; Hu, J.; Wu, R. Q.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Bordel, C.; Hellman, F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bordel, C.] Univ Rouen, CNRS, GPM, UMR 6634, F-76801 St Etienne, France. [Chen, T. Y.; Smith, David J.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Jenkins, C. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Heald, S. M.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Karel, J (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM julie.karel@cpfs.mpg.de RI Karel, Julie/J-5305-2014; Hu, Jun/H-4311-2012; Stone, Kevin/N-9311-2016 OI Stone, Kevin/0000-0003-1387-1510 FU magnetism program at LBNL; US Department of Energy (DOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-05CH11231]; DOE [DE-FG02-05ER46237, DE-AC02-06CH11357]; Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy [DE-AC02-05CH11231] FX Research was supported by the magnetism program at LBNL, funded by the US Department of Energy (DOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract No. DE-AC02-05CH11231 (JK, CB, KHS, JBK, FH) and by DOE grant DE-FG02-05ER46237 (YNZ, JH, RQW). Calculations were performed on parallel computers at NERSC supercomputer centers. The use of the Advanced Photon Source, an Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory, was supported by the DOE under Contract No. DE-AC02-06CH11357. The use of the Advanced Light Source, Berkeley, California, USA was supported by the Director, Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy under contract No. DE-AC02-05CH11231. NR 27 TC 3 Z9 3 U1 2 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2053-1591 J9 MATER RES EXPRESS JI Mater. Res. Express PD JUN PY 2014 VL 1 IS 2 AR 026102 DI 10.1088/2053-1591/1/2/026102 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA V43EP UT WOS:000209665000085 ER PT J AU Kucheyev, SO Gash, AE Lorenz, T AF Kucheyev, S. O. Gash, A. E. Lorenz, T. TI Deformation and fracture of LLM-105 molecular crystals studied by nanoindentation SO MATERIALS RESEARCH EXPRESS LA English DT Article DE molecular crystals; nanoindentation; fracture; mechanical properties AB Mechanical deformation of crystalline high explosives plays an important role in both the fabrication of polymer-bonded explosives and controlling their sensitivity to mechanically-induced decomposition. Here, we study the deformation behavior of (010)-oriented LLM-105 and beta-HMX molecular crystals by nanoindentation with pyramidal (Berkovich) and spherical (19 mu m-diameter) indenters. Results reveal indentation elastic moduli of 21 and 18 GPa and Berkovich hardness of 0.73 and 0.65 GPa for LLM-105 and HMX, respectively. For LLM-105 (but not for HMX), indentation stress remains essentially unchanged for spherical indentation strains of similar to 10-25%, suggesting that inelastic deformation above a certain strain proceeds via flow at constant stress. Both materials exhibit highly anisotropic surface fracture patterns after Berkovich and spherical indentation, consistent with fracture along (011) cleavage planes. No deformation-induced material decomposition is observed in either material for the indentation conditions used. C1 [Kucheyev, S. O.; Gash, A. E.; Lorenz, T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Kucheyev, SO (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM kucheyev@llnl.gov FU US DOE by LLNL [DE-AC52-07NA27344] FX This work was performed under the auspices of the US DOE by LLNL under Contract DE-AC52-07NA27344. We thank J M Zaug for providing the beta-HMX crystal studied here, C A Orme for help with indexing crystallographic planes, and C M Tarver for helpful comments on the manuscript. NR 19 TC 1 Z9 1 U1 3 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2053-1591 J9 MATER RES EXPRESS JI Mater. Res. Express PD JUN PY 2014 VL 1 IS 2 AR 025036 DI 10.1088/2053-1591/1/2/025036 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA V43EP UT WOS:000209665000036 ER PT J AU Truong, Q Pomerantz, N Yip, P Sieber, M Mabry, JM Ramirez, SM AF Quoc Truong Pomerantz, Natalie Yip, Pearl Sieber, Michael Mabry, Joseph M. Ramirez, Sean M. TI Pilot-scale coating of fabrics with fluorodecyl polyhedral oligomeric silsesquioxane/fluoroelastomer blends SO SURFACE INNOVATIONS LA English DT Article DE coating; contact angle; oleophobic; self-cleaning; superhydrophobic; surface energy ID INTERFACIAL ENERGIES; SURFACES AB A durable, conformal coating was developed based on the use of very low surface tension fluorodecyl polyhedral oligomeric silsesquioxane (Fluoro-POSS) cage-like molecule and a fluorinated elastomer. When this coating is applied, the resulting oleophobic fabrics resist surface wetting by a wide range of liquids having high to very low surface tension values, while remaining durable after repeated washing and abrasion testing. Collected data indicated minimal interference to air flow and moisture vapor through the conformally coated textiles. While textiles having said repellent treatment have been prepared previously by dip and spray coating in non-continuous laboratory applications, in 2012 the US Army Natick Research Development and Engineering Center successfully demonstrated a continuous, scalable application of Fluoro-POSS-treated textiles by way of a 24-inch-wide pad/dry/cure treatment. Material syntheses will be reported, and coating solution preparation and pilot-scale coating parameters will be discussed. Comparative data on surface, chemical and physical properties of lab-scale against pilot-scale coated repellent treated fabrics will be presented. These will include measurement of oleophobic coated fabrics' contact angle using various liquids such as water and hazardous chemicals, as well as evaluation of chemical permeation test results and physical properties. Future work will examine the effects of different concentrations of low surface tension fluoropolymers and elastomers, hierarchical re-entrant nanostructures, and optimal processing and curing conditions. C1 [Quoc Truong] US Army, Dept Plast Engn, NSRDEC, Natick, MA 01760 USA. [Quoc Truong] US Army, Dept Engn Management, NSRDEC, Natick, MA 01760 USA. [Pomerantz, Natalie] US Army, Dept Chem Engn, NSRDEC, Natick, MA 01760 USA. [Yip, Pearl] US Army, Dept Chem, NSRDEC, Natick, MA 01760 USA. [Sieber, Michael] Oak Ridge Inst Sci & Educ, Dept Text Engn, Oak Ridge, TN USA. [Mabry, Joseph M.] Air Force Res Lab, Aerosp Syst Directorate, Dept Polymer Chem, Edwards AFB, CA USA. [Ramirez, Sean M.] Air Force Res Lab, ERC Inc, Dept Polymer Chem, Edwards AFB, CA USA. RP Truong, Q (reprint author), US Army, Dept Plast Engn, NSRDEC, Natick, MA 01760 USA. EM quoc.t.truong.civ@mail.mil FU US Defense Threat Reduction Agency; Joint Science & Technology Office for Chemical and Biological Defense as part of the Integrated Protective Fabric Systems program [W911NF07D0004]; US Department of Energy; NSRDEC FX This work was funded by the US Defense Threat Reduction Agency and Joint Science & Technology Office for Chemical and Biological Defense as part of the Integrated Protective Fabric Systems program (via ARO Contract with ISN, contract W911NF07D0004). This work was supported in part by an appointment to the Postgraduate Research Participant Program administered by the Oak Ridge Institute for Science and Education's Research Participant Program through an interagency agreement between the US Department of Energy and NSRDEC. All textile testing were conducted by NSRDEC Textile Materials Testing Laboratory. Special thanks go to Drs Robert Cohen and Gareth McKinley from MIT, who provided treated samples and insight related to developing superoleophobic surfaces to the NSRDEC team; Mr Bill DiIanni and Mr Dale Arnold from International Textile Group/Burlington Laboratory, who provided the ITG nylon fabric Style 1194, which was used in this pilot scale up coating study, other ITG nylon and polyester fabrics, and their insights related to their fabric properties. NR 19 TC 2 Z9 2 U1 2 U2 6 PU ICE PUBLISHING PI WESTMINISTER PA INST CIVIL ENGINEERS, 1 GREAT GEORGE ST, WESTMINISTER SW 1P 3AA, ENGLAND SN 2050-6252 EI 2050-6260 J9 SURF INNOV JI Surf. Innov. PD JUN PY 2014 VL 2 IS 2 BP 79 EP 93 DI 10.1680/si.13.00049 PG 15 WC Chemistry, Physical; Materials Science, Coatings & Films SC Chemistry; Materials Science GA CZ3AT UT WOS:000366977100003 ER PT J AU Cozad, A Sahinidis, NV Miller, DC AF Cozad, Alison Sahinidis, Nikolaos V. Miller, David C. TI Learning surrogate models for simulation-based optimization SO AICHE JOURNAL LA English DT Article DE design (process simulation); optimization; machine learning ID DERIVATIVE-FREE OPTIMIZATION; BLACK-BOX FUNCTIONS; GLOBAL OPTIMIZATION; ENGINEERING DESIGN; ALGORITHMS; SELECTION; ASPEN AB A central problem in modeling, namely that of learning an algebraic model from data obtained from simulations or experiments is addressed. A methodology that uses a small number of simulations or experiments to learn models that are as accurate and as simple as possible is proposed. The approach begins by building a low-complexity surrogate model. The model is built using a best subset technique that leverages an integer programming formulation to allow for the efficient consideration of a large number of possible functional components in the model. The model is then improved systematically through the use of derivative-free optimization solvers to adaptively sample new simulation or experimental points. Automated learning of algebraic models for optimization (ALAMO), the computational implementation of the proposed methodology, along with examples and extensive computational comparisons between ALAMO and a variety of machine learning techniques, including Latin hypercube sampling, simple least-squares regression, and the lasso is described. (c) 2014 American Institute of Chemical Engineers AIChE J, 60: 2211-2227, 2014 C1 [Cozad, Alison; Sahinidis, Nikolaos V.; Miller, David C.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Cozad, Alison; Sahinidis, Nikolaos V.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. RP Sahinidis, NV (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM sahinidis@cmu.edu RI Sahinidis, Nikolaos/L-7951-2016 OI Sahinidis, Nikolaos/0000-0003-2087-9131 NR 52 TC 20 Z9 20 U1 3 U2 33 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 JUN PY 2014 VL 60 IS 6 BP 2211 EP 2227 DI 10.1002/aic.14418 PG 17 WC Engineering, Chemical SC Engineering GA AG1SR UT WOS:000335196900019 ER PT J AU Sun, WZ Lin, LC Peng, X Smit, B AF Sun, Weizhen Lin, Li-Chiang Peng, Xuan Smit, Berend TI Computational screening of porous metal-organic frameworks and zeolites for the removal of SO2 and NOx from flue gases SO AICHE JOURNAL LA English DT Article DE harmful gas removal; adsorbent material; molecular simulation; adsorption separation ID CARBON-DIOXIDE CAPTURE; MOLECULAR-DYNAMICS SIMULATIONS; IMIDAZOLATE FRAMEWORKS; CU-BTC; ADSORPTION PROPERTIES; NATURAL-GAS; FORCE-FIELD; CO2; SITES; DIFFUSION AB Sulfur oxides (SO2) and nitrogen oxides (NOx) are principal pollutants in the atmosphere due to their harmful impact on human health and environment. We use molecular simulations to study different adsorbents to remove SO2 and NOx from flue gases. Twelve representative porous materials were selected as possible candidates, including metal-organic frameworks, zeolitic imidazolate frameworks, and all-silica zeolites. Grand canonical Monte Carlo simulations were performed to predict the (mixture) adsorption isotherms to evaluate these selected materials. Both Cu-BTC and MIL-47 were identified to perform best for the removal of SO2 from the flue gases mixture. For the removal of NOx, Cu-BTC was shown to be the best adsorbent. Additionally, concerning the simultaneous removal of SO2, NOx, and CO2, Mg-MOF-74 gave the best performance. The results and insights obtained may be helpful to the adsorbents selection in the separation of SO2 and NOx and carbon capture. (c) 2014 American Institute of Chemical Engineers AIChE J, 60: 2314-2323, 2014 C1 [Sun, Weizhen] E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China. [Sun, Weizhen; Lin, Li-Chiang; Peng, Xuan; Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Sun, Weizhen] E China Univ Sci & Technol, Key Lab Adv Control & Optimizat Chem Proc, Shanghai 200237, Peoples R China. [Peng, Xuan] Beijing Univ Chem Technol, Dept Automat, Coll Informat Sci & Technol, Beijing 100029, Peoples R China. [Smit, Berend] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Smit, B (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM berend-smit@berkeley.edu RI Smit, Berend/B-7580-2009; EFRC, CGS/I-6680-2012; Lin, Li-Chiang/J-8120-2014; Stangl, Kristin/D-1502-2015; OI Smit, Berend/0000-0003-4653-8562; Lin, Li-Chiang/0000-0002-2821-9501 FU China Scholarship Council (CSC); Open Project of State Key Laboratory of Clean Energy Utilization [ZJU-CEU2010020]; Open Project of State Key Laboratory of Chemical Engineering [SKL-Che-12C01]; Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center-U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001015] FX WZS and XP were supported by the China Scholarship Council (CSC). XP was supported by the Open Project of State Key Laboratory of Clean Energy Utilization (No. ZJU-CEU2010020), and the Open Project of State Key Laboratory of Chemical Engineering (SKL-Che-12C01). LCL and BS were supported as part of the Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001015. NR 63 TC 18 Z9 20 U1 23 U2 185 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 JUN PY 2014 VL 60 IS 6 BP 2314 EP 2323 DI 10.1002/aic.14467 PG 10 WC Engineering, Chemical SC Engineering GA AG1SR UT WOS:000335196900029 ER PT J AU Xu, TF Karali, N Sathaye, J AF Xu, Tengfang Karali, Nihan Sathaye, Jayant TI Undertaking high impact strategies: The role of national efficiency measures in long-term energy and emission reduction in steel making SO APPLIED ENERGY LA English DT Article DE ISEEM (Industrial Sector Energy Efficiency Modeling); Steel; CO2 emission; Energy efficiency; Bottom-up optimization; Energy and environmental policy modeling ID CO2 EMISSIONS; INDUSTRY; CONSUMPTION; SECTOR; IRON; PRODUCTIVITY AB In this paper, we applied bottom-up linear optimization modeling to analyze long-term national impacts of implementing energy efficiency measures on energy savings, CO2-emission reduction, production, and costs of steel making in China, India, and the U.S. We first established two base scenarios representing business-as-usual steel production for each country from 2010 to 2050; Base scenario (in which no efficiency measure is available) and Base-E scenario (in which efficiency measures are available), and model scenarios representing various emission-reduction targets that affects production, annual energy use and costs with the goal of cost minimization. A higher emission-reduction target generally induces larger structural changes and increased investments in nation-wide efficiency measures, in addition to autonomous improvement expected in the Base scenario. Given the same emission-reduction target compared to the base scenario, intensity of annual energy use and emissions exhibits declining trends in each country from year 2010 to 2050. While a higher emission-reduction target result in more energy reduction from the base scenario, such reduction can become more expensive to achieve. The results advance our understanding of long-term effects of national energy efficiency applications under different sets of emission-reduction targets for steel sectors in the three major economies, and provide useful implications for high impact strategies to manage production structures, production costs, energy use, and emission reduction in steel making. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Xu, Tengfang; Karali, Nihan; Sathaye, Jayant] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Xu, TF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, One Cyclotron Rd,MS 90R2000, Berkeley, CA 94720 USA. EM ttxu@lbl.gov FU U.S. Environmental Protection Agency through the U.S. Department of Energy [DE-AC02-05CH11231] FX This paper is based upon results from a research project funded by the U.S. Environmental Protection Agency through the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 32 TC 12 Z9 12 U1 2 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 EI 1872-9118 J9 APPL ENERG JI Appl. Energy PD JUN 1 PY 2014 VL 122 BP 179 EP 188 DI 10.1016/j.apenergy.2014.01.094 PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA AG2UR UT WOS:000335273100017 ER PT J AU Bonner, IJ Muth, DJ Koch, JB Karlen, DL AF Bonner, Ian J. Muth, David J., Jr. Koch, Joshua B. Karlen, Douglas L. TI Modeled Impacts of Cover Crops and Vegetative Barriers on Corn Stover Availability and Soil Quality SO BIOENERGY RESEARCH LA English DT Article DE Landscape planning; Landscape Environmental Assessment Framework (LEAF); Soil conservation; Soil quality; Bioenergy; Sustainable agriculture ID AGRICULTURAL RESIDUE REMOVAL; ORGANIC-CARBON; BIOMASS; TILLAGE; BIOENERGY; SUSTAINABILITY; NITROGEN; MANAGEMENT; SEDIMENT; EROSION AB Environmentally benign, economically viable, and socially acceptable agronomic strategies are needed to launch a sustainable lignocellulosic biofuel industry. Our objective was to demonstrate a landscape planning process that can ensure adequate supplies of corn (Zea mays L.) stover feedstock while protecting and improving soil quality. The Landscape Environmental Assessment Framework (LEAF) was used to develop land use strategies that were then scaled up for five U.S. Corn Belt states (Nebraska, Iowa, Illinois, Indiana, and Minnesota) to illustrate the impact that could be achieved. Our results show an annual sustainable stover supply of 194 million Mg without exceeding soil erosion T values or depleting soil organic carbon [i.e., soil conditioning index (SCI) > 0] when no-till, winter cover crop, and vegetative barriers were incorporated into the landscape. A second, more rigorous conservation target was set to enhance soil quality while sustainably harvesting stover. By requiring erosion to be < 1/2 T and the SCI-organic matter (OM) subfactor to be > 0, the annual sustainable quantity of harvestable stover dropped to148 million Mg. Examining removal rates by state and soil resource showed that soil capability class and slope generally determined the effectiveness of the three conservation practices and the resulting sustainable harvest rate. This emphasizes that sustainable biomass harvest must be based on subfield management decisions to ensure soil resources are conserved or enhanced, while providing sufficient biomass feedstock to support the economic growth of bioenergy enterprises. C1 [Bonner, Ian J.] US DOE, Idaho Natl Lab Dept Biofuels & Renewable Energy T, Idaho Falls, ID 83415 USA. [Muth, David J., Jr.; Koch, Joshua B.] Praxik LLC, Ames, IA 50010 USA. [Karlen, Douglas L.] ARS, Natl Lab Agr & Environm, USDA, Ames, IA 50011 USA. RP Bonner, IJ (reprint author), US DOE, Idaho Natl Lab Dept Biofuels & Renewable Energy T, POB 1625, Idaho Falls, ID 83415 USA. EM ian.bonner@inl.gov FU U.S. Department of Energy, under DOE Idaho Operations Office [DE-AC07-05ID14517] FX This work is supported by the U.S. Department of Energy, under DOE Idaho Operations Office Contract DE-AC07-05ID14517. Accordingly, the U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. The authors also acknowledge Dr. Wally Tyner, Michelle Pratt, and Alicia English from Purdue University for their collaboration designing the conservation management strategies implemented in this analysis. NR 43 TC 15 Z9 15 U1 8 U2 50 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1939-1234 EI 1939-1242 J9 BIOENERG RES JI BioEnergy Res. PD JUN PY 2014 VL 7 IS 2 BP 576 EP 589 DI 10.1007/s12155-014-9423-y PG 14 WC Energy & Fuels; Environmental Sciences SC Energy & Fuels; Environmental Sciences & Ecology GA AG4OW UT WOS:000335400800013 ER PT J AU Kim, S Dale, BE Keck, P AF Kim, Seungdo Dale, Bruce E. Keck, Pam TI Energy Requirements and Greenhouse Gas Emissions of Maize Production in the USA SO BIOENERGY RESEARCH LA English DT Article DE Maize; Greenhouse gas emissions; Life cycle assessment; Nonrenewable energy ID LIFE-CYCLE ENERGY; CARBON SEQUESTRATION; UNITED-STATES; CORN; ETHANOL; BIOENERGY; FUEL AB This meta-study quantitatively and qualitatively compares 21 published life cycle assessment (LCA)-type studies for energy consumption and greenhouse gas (GHG) emissions of maize production in the USA. Differences between the methodologies and numerical results obtained are described. Nonrenewable energy consumption in maize production (from cradle-to-farm gate) ranges from 1.44 to 3.50 MJ/kg of maize, and GHG emissions associated with maize production range from -27 to 436 g CO2 equivalent/kg of maize. Large variations between studies exist within the input data for lime application, fuels purchased, and life cycle inventory data for fertilizer and agrochemical production. Although most studies use similar methodological approaches, major differences between studies include the following: (1) impacts associated with human labor and farm machinery production, (2) changes in carbon dioxide emissions resulting from soil organic carbon levels, and (3) indirect N2O emissions. C1 [Kim, Seungdo; Dale, Bruce E.] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, Lansing, MI 48910 USA. [Kim, Seungdo; Dale, Bruce E.] Michigan State Univ, Dept Chem Engn & Mat Sci, Lansing, MI 48910 USA. [Keck, Pam] Natl Corn Growers Assoc, Chesterfield, MO 63005 USA. RP Kim, S (reprint author), Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, 3815 Technology Blvd, Lansing, MI 48910 USA. EM kimseun@msu.edu FU National Corn Growers Association; DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC02-07ER64494]; DOE Great Lakes Bioenergy Research Center (DOE OBP Office of Energy Efficiency and Renewable Energy) [DE-AC05-76RL01830] FX This work was funded by National Corn Growers Association and DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science DE-FC02-07ER64494 and DOE OBP Office of Energy Efficiency and Renewable Energy DE-AC05-76RL01830). The authors wish to thank the two anonymous reviewers for their constructive comments and suggestions. NR 37 TC 3 Z9 3 U1 5 U2 52 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1939-1234 EI 1939-1242 J9 BIOENERG RES JI BioEnergy Res. PD JUN PY 2014 VL 7 IS 2 BP 753 EP 764 DI 10.1007/s12155-013-9399-z PG 12 WC Energy & Fuels; Environmental Sciences SC Energy & Fuels; Environmental Sciences & Ecology GA AG4OW UT WOS:000335400800028 ER PT J AU Shang, SL Fang, HZ Wang, J Guo, CP Wang, Y Jablonski, PD Du, Y Liu, ZK AF Shang, S. L. Fang, H. Z. Wang, J. Guo, C. P. Wang, Y. Jablonski, P. D. Du, Y. Liu, Z. K. TI Vacancy mechanism of oxygen diffusivity in bcc Fe: A first-principles study SO CORROSION SCIENCE LA English DT Article DE Iron; Modeling studies; Oxidation; Internal oxidation ID GENERALIZED GRADIENT APPROXIMATION; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; ALPHA-IRON; INTERNAL OXIDATION; LATTICE-DYNAMICS; CARBON DIFFUSION; NI; THERMODYNAMICS; SOLUBILITY AB Diffusivity of interstitial oxygen (O) in bcc iron (Fe) with and without the effect of vacancy has been investigated in terms of first-principles calculations within the framework of transition state theory. Examination of migration pathway and phonon results indicates that O in octahedral interstice is always energetically favorable (minimum energy) with and without vacancy. It is found that vacancy possesses an extremely high affinity for O in bcc Fe, increasing dramatically the energy barrier (similar to 80%) for O migration, and in turn, making the predicted diffusion coefficient of O in bcc Fe in favorable accord with experiments. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Shang, S. L.; Fang, H. Z.; Wang, J.; Guo, C. P.; Wang, Y.; Liu, Z. K.] US DOE, Reg Univ Alliance, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Shang, S. L.; Fang, H. Z.; Wang, J.; Guo, C. P.; Wang, Y.; Liu, Z. K.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Wang, J.; Du, Y.] Cent S Univ, State Key Lab Powder Met, Changsha 410083, Hunan, Peoples R China. [Guo, C. P.] Univ Sci & Technol Beijing, Dept Mat Sci & Engn, Beijing 100083, Peoples R China. [Jablonski, P. D.] US DOE, Natl Energy Technol Lab, Albany, OR 97327 USA. RP Shang, SL (reprint author), US DOE, Reg Univ Alliance, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM sus26@psu.edu RI Shang, Shun-Li/A-6564-2009; Wang, Yi/D-1032-2013; Fang, Huazhi/L-6126-2013; 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 FU National Energy Technology Laboratory (NETL); NETL through the RES [DE-FE00400]; U.S. Natural Science Foundation (NSF) [CHE-1230924, DMR-1310289]; Materials Simulation Center and the Research Computing and Cyber infrastructure unit at the Pennsylvania State University; NERSC; Office of Science of the US DOE [DE-AC02-05CH11231]; National Natural Science Foundation of China (NSFC) [51028101] FX This work was funded by the Cross-Cutting Technologies Program at the National Energy Technology Laboratory (NETL), 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 Pennsylvania State University by NETL through the RES Contract No. DE-FE00400, and also by the U.S. Natural Science Foundation (NSF) through Grant Nos. CHE-1230924 and DMR-1310289. First-principles calculations were carried out partially on the LION clusters supported by the Materials Simulation Center and the Research Computing and Cyber infrastructure unit at the Pennsylvania State University, and partially on the resources of NERSC supported by the Office of Science of the US DOE under contract No. DE-AC02-05CH11231. ZKL and YD would like to thank the support from National Natural Science Foundation of China (NSFC) with Grant No. 51028101. 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 75 TC 14 Z9 15 U1 6 U2 77 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0010-938X EI 1879-0496 J9 CORROS SCI JI Corrosion Sci. PD JUN PY 2014 VL 83 BP 94 EP 102 DI 10.1016/j.corsci.2014.02.009 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AG2VH UT WOS:000335274700010 ER PT J AU Itty, PA Serdar, M Meral, C Parkinson, D MacDowell, AA Bjegovic, D Monteiro, PJM AF Itty, Pierre-Adrien Serdar, Marijana Meral, Cagla Parkinson, Dula MacDowell, Alastair A. Bjegovic, Dubravka Monteiro, Paulo J. M. TI In situ 3D monitoring of corrosion on carbon steel and ferritic stainless steel embedded in cement paste SO CORROSION SCIENCE LA English DT Article DE Steel reinforced concrete; Stainless steel; Galvanostatic; Interfaces; Pitting corrosion ID REINFORCED-CONCRETE STRUCTURES; INDUCED COVER CRACKING; X-RAY MICROTOMOGRAPHY; PITTING CORROSION; IMPRESSED CURRENT; RUST LAYER; CHLORIDE; ALKALINE; MORTAR; TIME AB In a X-ray microcomputed tomography study, active corrosion was induced by galvanostatically corroding steel embedded in cement paste. The results give insight into corrosion product build up, crack formation, leaching of products into the cracks and voids, and differences in morphology of corrosion attack in the case of carbon steel or stainless steel reinforcement. Carbon steel was homogeneously etched away with a homogeneous layer of corrosion products forming at the steel/cement paste interface. For ferritic stainless steel, pits were forming, concentrating the corrosion products locally, which led to more extensive damage on the cement paste cover. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Itty, Pierre-Adrien; Serdar, Marijana; Meral, Cagla; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Parkinson, Dula; MacDowell, Alastair A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Serdar, Marijana; Bjegovic, Dubravka] Univ Zagreb, Fac Civil Engn, Dept Mat, Zagreb 10000, Croatia. [Meral, Cagla] Middle E Tech Univ, Dept Civil Engn, TR-06800 Ankara, Turkey. RP Itty, PA (reprint author), Schlumberger Riboud Prod Ctr, 1 Rue Henri Becquerel, F-92140 Clamart, France. EM pitty@slb.com RI Parkinson, Dilworth/A-2974-2015; Serdar, Muhittin/D-2493-2015; Meral, Cagla/K-8590-2013 OI Parkinson, Dilworth/0000-0002-1817-0716; Meral, Cagla/0000-0001-8720-1216 FU King Abdullah University of Science and Technology (KAUST) [KUS-l1-004021]; Unity through Knowledge Fund (UKF); Croatian Ministry of Science, Education and Sport [73/10]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This publication was based on work supported by Award No. KUS-l1-004021, made by King Abdullah University of Science and Technology (KAUST). This research was supported in part by Unity through Knowledge Fund (UKF), Croatian Ministry of Science, Education and Sport (Grant No. 73/10). 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 44 TC 7 Z9 7 U1 3 U2 32 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0010-938X EI 1879-0496 J9 CORROS SCI JI Corrosion Sci. PD JUN PY 2014 VL 83 BP 409 EP 418 DI 10.1016/j.corsci.2014.03.010 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AG2VH UT WOS:000335274700043 ER PT J AU Qafoku, O Hu, JZ Hess, NJ Hu, MY Ilton, ES Feng, J Arey, BW Felmy, AR AF Qafoku, Odeta Hu, Jianzhi Hess, Nancy J. Hu, Mary Y. Ilton, Eugene S. Feng, Ju Arey, Bruce W. Felmy, Andrew R. TI Formation of submicron magnesite during reaction of natural forsterite in H2O-saturated supercritical CO2 SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID CARBON-DIOXIDE; MINERAL CARBONATION; DEGREES-C; RAMAN SPECTROSCOPY; GEOLOGICAL MEDIA; LOW-TEMPERATURES; CLIMATE-CHANGE; SEQUESTRATION; DISSOLUTION; CHRYSOTILE AB Natural forsterite was reacted in bulk liquid water saturated with supercritical CO2 (scCO(2)) and scCO(2) saturated with water at 35 80 degrees C and 90 atm. The solid reaction products were analyzed with nuclear magnetic resonance (NMR), scanning electron microscopy (SEM), and confocal Raman spectroscopy. Two carbonate phases, nesquehonite (MgCO3 center dot 3H(2)O) and magnesite (MgCO3), were identified with the proportions of the two phases depending on experimental conditions. In liquid water saturated with scCO(2), nesquehonite was the dominant carbonate phase at 35 80 degrees C with only a limited number of large, micron size magnesite particles forming at the highest temperature, 80 degrees C. In contrast, in scCO(2) saturated with H2O magnesite formation was identified at all three temperatures: 35, 50, and 80 degrees C. Magnesite was the dominant carbonation reaction product at 50 and 80 degrees C, but nesquehonite was dominant at 35 degrees C. The magnesite particles formed under scCO(2) saturated with H2O conditions exhibited an extremely uniform submicron grain-size and nearly identical rhombohedral morphologies at all temperatures. The distribution and form of the particles were not consistent with nucleation and growth on the forsterite surface. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Qafoku, Odeta; Hu, Jianzhi; Hess, Nancy J.; Hu, Mary Y.; Ilton, Eugene S.; Feng, Ju; Arey, Bruce W.; Felmy, Andrew R.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Qafoku, O (reprint author), Pacific NW Natl Lab, POB 999,MS K8-96, Richland, WA 99352 USA. EM Odeta.qafoku@pnnl.gov RI Hu, Jian Zhi/F-7126-2012; OI Hess, Nancy/0000-0002-8930-9500 FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences through a Single Investigator Small Group Research (SISGR) grant at Pacific Northwest National Laboratory (PNNL); U. S. Department of Energy's (DOE) Office of Biological and Environmental Research; DOE [DE-AC06-76RLO-1830] FX We would like to thank Dr. Alexander P. Gysi, Dr. Bruno Garcia, and all anonymous reviewers whose insightful comments and suggestions helped to improve this manuscripts. This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences through a Single Investigator Small Group Research (SISGR) grant at Pacific Northwest National Laboratory (PNNL). Several of the experiments were performed using EMSL, the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the U. S. Department of Energy's (DOE) Office of Biological and Environmental Research, and located at PNNL. PNNL is operated for DOE by Battelle Memorial Institute under Contract# DE-AC06-76RLO-1830. NR 65 TC 12 Z9 12 U1 6 U2 35 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD JUN 1 PY 2014 VL 134 BP 197 EP 209 DI 10.1016/j.gca.2013.09.024 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AG0WM UT WOS:000335136400011 ER PT J AU King, HE Walters, CC Horn, WC Zimmer, M Heines, MM Lamberti, WA Kliewer, C Pottorf, RJ Macleod, G AF King, Hubert E. Walters, Clifford C. Horn, William C. Zimmer, Mindy Heines, Maureen M. Lamberti, William A. Kliewer, Christine Pottorf, Robert J. Macleod, Gordon TI Sulfur isotope analysis of bitumen and pyrite associated with thermal sulfate reduction in reservoir carbonates at the Big Piney-La Barge production complex SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID SOUR GAS ACCUMULATION; BOHAI BAY BASIN; GEOCHEMICAL CHARACTERISTICS; CHEMICAL ALTERATION; ORGANIC-MATTER; JIXIAN SAG; PETROLEUM; CANADA; HYDROCARBONS; CONSTRAINTS AB Sulfur isotopes of solid bitumen and associated pyrite from the Madison Limestone in the Big Piney-La Barge production complex were measured using a Secondary Ion Mass Spectrometry (SIMS) method. The solid bitumens, a product of thermochemical sulfate reduction, yielded delta S-34 values of +18.9 +/- 3.9 that are consistent with inferred values for native Mississippian sulfate. In contrast, coarse and fine grain pyrite grains were found to be S-34 depleted, with values similar to that of the produced H2S (delta S-34 similar to +10 parts per thousand). We interpret these results to indicate that two different sources of sulfate were involved with TSR within the Madison Limestone-autochthonous anhydrite, which is now completely replaced with calcite, and Permian age sulfate dissolved in the aquifer. While checking for inclusions within the bitumen that could lead to erroneous measurement, we found the bitumen possesses a similar to 5 mu m rim and internal "worm-like" features enriched in organic sulfur. We hypothesize that the rim is the result of back reaction of the late forming H2S with the solid bitumen and that the <1 mu m diameter wormy features may result from liquid-liquid immiscibility occurring at the high temperatures of formation. (C) 2013 Elsevier Ltd. All rights reserved. C1 [King, Hubert E.; Walters, Clifford C.; Horn, William C.; Zimmer, Mindy; Heines, Maureen M.; Lamberti, William A.; Kliewer, Christine] ExxonMobil Res & Engn Co, Annandale, NJ 08848 USA. [Zimmer, Mindy] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Pottorf, Robert J.; Macleod, Gordon] ExxonMobil Upstream Res Co, Houston, TX 77098 USA. RP King, HE (reprint author), ExxonMobil Res & Engn Co, 1545 Route 22 East, Annandale, NJ 08848 USA. EM hubert.e.king@exxonmobil.com NR 42 TC 8 Z9 8 U1 3 U2 23 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD JUN 1 PY 2014 VL 134 BP 210 EP 220 DI 10.1016/j.gca.2013.11.005 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AG0WM UT WOS:000335136400012 ER PT J AU Xu, M Kovarik, L Arey, BW Felmy, AR Rosso, KM Kerisit, S AF Xu, Man Kovarik, Libor Arey, Bruce W. Felmy, Andrew R. Rosso, Kevin M. Kerisit, Sebastien TI Kinetics and mechanisms of cadmium carbonate heteroepitaxial growth at the calcite (10 (1)over-bar 4) surface SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID SOLID-SOLUTION FORMATION; ATOMIC-FORCE MICROSCOPY; AQUEOUS-SOLUTIONS; WATER INTERFACE; DISSOLUTION KINETICS; CRYSTAL-GROWTH; ACTIVITY RATIO; IN-SITU; MANGANESE; CRYSTALLIZATION AB Elucidating the kinetics and mechanisms of heteroepitaxial nucleation and growth at mineral-water interfaces is essential to understanding surface reactivity in geochemical systems. In the present work, the formation of heteroepitaxial cadmium carbonate coatings at calcite-water interfaces was investigated by exposing calcite (10 (1) over bar 4)surfaces to Cd-bearing aqueous solutions. In situ atomic force microscopy (AFM) was employed as the primary technique. The AFM results indicate that the heteroepitaxial growth of cadmium carbonate proceeds via three different mechanisms depending on the initial supersaturation of the aqueous solution: advancement of existing steps, nucleation and growth of three-dimensional (3D) islands, and nucleation and spread of two-dimensional (2D) nuclei. The 3D islands and 2D nuclei exhibit different morphologies and growth kinetics. The effects of supersaturation on heteroepitaxial growth mechanisms can be interpreted in terms of the free energy barrier for nucleation. At low initial supersaturation, where 3D nucleation dominates, it is hypothesized, from the growth rate and morphology of the 3D islands observed with AFM, that the crystallization of the overgrowth follows a non-classical pathway involving the formation of a surface precursor that is not fully crystalline, whereas high supersaturation favors the formation of crystalline 2D nuclei whose morphology is based on the atomic structure of the calcite substrate. Cross-sectional transmission electron microscopy (TEM) images reveal that the atomic structure of the interface between the cadmium carbonate coating and calcite shows perfect, dislocation-free epitaxy. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Xu, Man; Felmy, Andrew R.; Rosso, Kevin M.; Kerisit, Sebastien] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Div Phys Sci, Richland, WA 99352 USA. [Kovarik, Libor; Arey, Bruce W.] Pacific NW Natl Lab, Environm Mol Sci Lab, Sci Resources Div, Richland, WA 99352 USA. RP Xu, M (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Div Phys Sci, Richland, WA 99352 USA. EM man.xu@pnnl.gov; sebastien.keri-sit@pnnl.gov RI Kovarik, Libor/L-7139-2016 FU Geosciences Research Program of the U.S. Department of Energy (DOE), Office of Basic Energy Sciences; DOE's Office of Biological and Environmental Research; DOE [DE-AC06-76RLO-1830] FX M.X. and S.K. acknowledge Dr. Shawn Chatman for his assistance with operating the AFM instrument. We would also like to thank Tom Resch for performing the ICP-OES analyses. This work was supported by the Geosciences Research Program of the U.S. Department of Energy (DOE), Office of Basic Energy Sciences. The research was performed using 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 for DOE by Battelle Memorial Institute under Contract # DE-AC06-76RLO-1830. We thank Dr. Sahai and the two anonymous reviewers for their valuable comments. NR 60 TC 6 Z9 6 U1 5 U2 33 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD JUN 1 PY 2014 VL 134 BP 221 EP 233 DI 10.1016/j.gca.2013.11.036 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AG0WM UT WOS:000335136400013 ER PT J AU Hallis, LJ Ishii, HA Bradley, JP Taylor, GJ AF Hallis, L. J. Ishii, H. A. Bradley, J. P. Taylor, G. J. TI Transmission electron microscope analyses of alteration phases in martian meteorite MIL 090032 SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID AQUEOUS ALTERATION; ALTERATION ASSEMBLAGES; ANTARCTIC METEORITES; MINERAL ASSEMBLAGES; NAKHLA METEORITE; SNC METEORITE; IGNEOUS ROCKS; MARS; RANGE; SOILS AB The nakhlite group of martian meteorites found in the Antarctic contain varying abundances of both martian and terrestrial secondary alteration phases. The aim of this study was to use transmission electron microscopy (TEM) to compare martian and terrestrial alteration embodied within a single nakhlite martian meteorite find - MIL 090032. Martian alteration veins in MIL 090032 are composed of poorly ordered Fe-smectite phyllosilicate. This poorly-ordered smectite appears to be equivalent to the nanocrystalline phyllosilicate/hydrated amorphous gel phase previously described in the martian alteration veins of other nakhlites. Chemical differences in this nanocrystalline phyllosilicate between different nakhlites imply localised alteration, which occurred close to the martian surface in MIL 090032. Both structurally and compositionally the nakhlite nanocrystalline phyllosilicate shows similarities to the amorphous/poorly ordered phase recently discovered in martian soil by the Mars Curiosity Rover at Rocknest, Gale Crater. Terrestrially derived alteration phases in MIL 090032 include jarosite and gypsum, amorphous silicates, and Fe-oxides and hydroxides. Similarities between the mineralogy and chemistry of the MIL 090032 terrestrial and martian alteration phases suggest the alteration conditions on Mars were similar to those in the Antarctic. At both sites a small amount of fluid at low temperatures infiltrated the rock and became acidic as a result of the conversion of Fe2+ to Fe3+ under oxidising conditions. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Hallis, L. J.; Taylor, G. J.] Univ Hawaii, Inst Astron, NASA Astrobiol Inst, Honolulu, HI 96822 USA. [Hallis, L. J.; Taylor, G. J.] Univ Hawaii, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. [Ishii, H. A.; Bradley, J. P.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. RP Hallis, LJ (reprint author), Univ Hawaii, Inst Astron, NASA Astrobiol Inst, 2680 Woodlawn Dr, Honolulu, HI 96822 USA. EM lydh@higp.hawaii.edu FU National Aeronautics and Space Administration through the NASA Astrobiology Institute, Office of Space Science [NNA09-DA77A]; U. S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This material is based upon work supported by the National Aeronautics and Space Administration through the NASA Astrobiology Institute under Cooperative Agreement No. NNA09-DA77A, issued through the Office of Space Science. A portion 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. We thank the NASA Johnson Space Center for allocation of the Miller Range nakhlite thin-sections, and Eric Hellebrand and Nick Teslich for their assistance with EMP analysis and FIB section preparation, respectively. Hitesh Changela is thanked for his helpful suggestions relating to nakhlite iddingsite fluid evolution. Martin Lee, John Bridges and one anonymous reviewer are thanked for their helpful suggestions, as is the Associate Editor Wolf Uwe Reimold. NR 64 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 JUN 1 PY 2014 VL 134 BP 275 EP 288 DI 10.1016/j.gca.2014.02.007 PG 14 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AG0WM UT WOS:000335136400016 ER PT J AU Knezevic, M Nizolek, T Ardeljan, M Beyerlein, IJ Mara, NA Pollock, TM AF Knezevic, Marko Nizolek, Thomas Ardeljan, Milan Beyerlein, Irene J. Mara, Nathan A. Pollock, Tresa M. TI Texture evolution in two-phase Zr/Nb lamellar composites during accumulative roll bonding SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Zirconium; Niobium; Texture; Deformation mechanisms; Accumulative roll bonding ID CHANNEL ANGULAR EXTRUSION; SEVERE PLASTIC-DEFORMATION; CLOSE-PACKED METALS; MECHANICAL-PROPERTIES; CRYSTAL PLASTICITY; SINGLE-CRYSTALS; HIGH-STRENGTH; CU-AG; POLYCRYSTALLINE METALS; ZIRCONIUM ALLOYS AB We study the texture evolution and deformation mechanisms in a Zr/Nb layered composite using a combination of electron backscattered diffraction, dislocation density evolution modeling, and polycrystal plasticity simulations. Zr/Nb composites with individual layer thicknesses ranging from 1 to 4 mm one-millimeter to four-micrometers were successfully fabricated at room temperature by accumulative roll bonding. Measured texture data during rolling and stress-strain curves in compression are presented. Under severe plastic deformation, we show that the textures of each polycrystalline phase correspond to textures of severely rolled single-phase rolled Zr and Nb. A visco-plastic self-consistent (VPSC)-dislocation density based model is applied to predict the deformation textures in the individual phases. The model indicates that large-strain deformation in Zr is accommodated by prismatic, pyramidal, and anomalously basal slip, and in Nb by both {1 1 0} and {1 1 2} slip. Our findings suggest that the polycrystalline layers of four micrometers per phase are still too coarse for the bimetal interfaces to have an effect on the texture evolution. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Knezevic, Marko; Ardeljan, Milan] Univ New Hampshire, Dept Mech Engn, Durham, NH 03824 USA. [Nizolek, Thomas; Pollock, Tresa M.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93105 USA. [Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Mara, Nathan A.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Knezevic, M (reprint author), Univ New Hampshire, Dept Mech Engn, Durham, NH 03824 USA. EM marko.knezevic@unh.edu RI Mara, Nathan/J-4509-2014; Beyerlein, Irene/A-4676-2011 FU University of New Hampshire faculty startup funds; Los Alamos National Laboratory LDRD program [20140348ER]; UC Lab Fees Research Program [UCD-12-0045.15]; Department of Defense (DoD) through the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program FX MK and MA were supported by the University of New Hampshire faculty startup funds. IJB was supported by a Los Alamos National Laboratory LDRD program 20140348ER. TMP and NAM wish to acknowledge support by the UC Lab Fees Research Program # UCD-12-0045.15. TN was supported by the Department of Defense (DoD) through the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program. NR 109 TC 40 Z9 40 U1 5 U2 59 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 EI 1879-2154 J9 INT J PLASTICITY JI Int. J. Plast. PD JUN PY 2014 VL 57 BP 16 EP 28 DI 10.1016/j.ijplas.2014.01.008 PG 13 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA AG2XG UT WOS:000335279800002 ER PT J AU Mayeur, JR McDowell, DL AF Mayeur, J. R. McDowell, D. L. TI A comparison of Gurtin type and micropolar theories of generalized single crystal plasticity SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Gradient plasticity; Crystal plasticity; Geometrically necessary dislocations; Microforce balance; Finite elements ID STRAIN GRADIENT PLASTICITY; CONTINUOUSLY DISTRIBUTED DISLOCATIONS; FREE-ENERGY; FINITE-DEFORMATION; MODEL; VISCOPLASTICITY; ELASTOPLASTICITY; POLYCRYSTALS; PREDICTIONS; MICROFORCES AB We compare and contrast the governing equations and numerical predictions of two higher-order theories of extended single crystal plasticity, specifically, Gurtin type and micropolar models. The models are presented within a continuum thermodynamic setting, which facilitates identification of equivalent terms and the roles they play in the respective models. Finite element simulations of constrained thin films are used to elucidate the various scale-dependent strengthening mechanisms and their effect of material response. Our analysis shows that the two theories contain many analogous features and qualitatively predict the same trends in mechanical behavior, although they have substantially different points of departure. This is significant since the micropolar theory affords a simpler numerical implementation that is less computationally expensive and potentially more stable. (c) 2014 Elsevier Ltd. All rights reserved. C1 [Mayeur, J. R.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [McDowell, D. L.] Georgia Inst Technol, Sch Mat Sci & Engn, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RP Mayeur, JR (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM jmayeur@lanl.gov FU Los Alamos National Laboratory [AC52-06NA25936]; Sandia National Laboratories through the Enabling Predictive Simulation Research Institute (EPSRI); Laboratory Directed Research and Development program FX JRM acknowledges the support of Los Alamos National Laboratory, operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25936. This work also benefited from the support of Sandia National Laboratories through the Enabling Predictive Simulation Research Institute (EPSRI), and the Laboratory Directed Research and Development program. Sandia is a multiprogram laboratory operated by the Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under DOE contract DE-AC04-94AL85000. DLM would like to acknowledge support of the Carter N. Paden, Jr. Distinguished Chair in Metals Processing, as well as NSF grant CMMI1030103 on Methods for Atomistic Input into Initial Yield and Plastic Flow Criteria for Nanocrystalline Metals. NR 61 TC 13 Z9 14 U1 1 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 JUN PY 2014 VL 57 BP 29 EP 51 DI 10.1016/j.ijplas.2014.01.010 PG 23 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA AG2XG UT WOS:000335279800003 ER PT J AU Dingreville, R Robbins, J Voth, TE AF Dingreville, Remi Robbins, Joshua Voth, Thomas E. TI Wave propagation and dispersion in elasto-plastic microstructured materials SO INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES LA English DT Article DE Wave dispersion; Wave propagation; Mindlin continuum; Micromorphic; Hardening materials ID DYNAMIC DEFORMATION; COMPOSITE-MATERIALS; HOMOGENIZATION; LOCALIZATION; BEHAVIOR; SOLIDS; IMPACT; MEDIA; SCALE AB A Mindlin continuum model that incorporates both a dependence upon the microstructure and inelastic (nonlinear) behavior is used to study dispersive effects in elasto-plastic microstructured materials. A one-dimensional equation of motion of such material systems is derived based on a combination of the Mindlin microcontinuum model and a hardening model both at the macroscopic and microscopic level. The dispersion relation of propagating waves is established and compared to the classical linear elastic and gradient-dependent solutions. It is shown that the observed wave dispersion is the result of introducing microstructural effects and material inelasticity. The introduction of an internal characteristic length scale regularizes the ill-posedness of the set of partial differential equations governing the wave propagation. The phase speed does not necessarily become imaginary at the onset of plastic softening, as it is the case in classical continuum models and the dispersive character of such models constrains strain softening regions to localize. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Dingreville, Remi; Robbins, Joshua; Voth, Thomas E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Dingreville, R (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rdingre@sandia.gov OI Dingreville, Remi/0000-0003-1613-695X FU Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy, under Contract No. DE-AC04-94AL85000. NR 43 TC 3 Z9 3 U1 0 U2 19 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0020-7683 EI 1879-2146 J9 INT J SOLIDS STRUCT JI Int. J. Solids Struct. PD JUN 1 PY 2014 VL 51 IS 11-12 BP 2226 EP 2237 DI 10.1016/j.ijsolstr.2014.02.030 PG 12 WC Mechanics SC Mechanics GA AG2UH UT WOS:000335272100017 ER PT J AU Benz, JK Carroll, LJ Wright, JK Wright, RN Lillo, TM AF Benz, Julian K. Carroll, Laura J. Wright, Jill K. Wright, Richard N. Lillo, Thomas M. TI Threshold Stress Creep Behavior of Alloy 617 at Intermediate Temperatures SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID STRENGTHENED ALLOYS; DISLOCATION CLIMB; SINGLE-CRYSTALS; FRICTION STRESS; HARD PARTICLES; NICKEL; SUPERALLOY; MODEL; MICROSTRUCTURE; DEFORMATION AB Creep of Alloy 617, a solid solution Ni-Cr-Mo alloy, was studied in the temperature range of 1023 K to 1273 K (750 A degrees C to 1000 A degrees C). Typical power-law creep behavior with a stress exponent of approximately 5 is observed at temperatures from 1073 K to 1273 K (800 A degrees C to 1000 A degrees C). Creep at 1023 K (750 A degrees C), however, exhibits threshold stress behavior coinciding with the temperature at which a low volume fraction of ordered coherent gamma' precipitates forms. The threshold stress is determined experimentally to be around 70 MPa at 1023 K (750 A degrees C) and is verified to be near zero at 1173 K (900 A degrees C)-temperatures directly correlating to the formation and dissolution of gamma' precipitates, respectively. The gamma' precipitates provide an obstacle to continued dislocation motion and result in the presence of a threshold stress. TEM analysis of specimens crept at 1023 K (750 A degrees C) to various strains, and modeling of stresses necessary for gamma' precipitate dislocation bypass, suggests that the climb of dislocations around the gamma' precipitates is the controlling factor for continued deformation at the end of primary creep and into the tertiary creep regime. As creep deformation proceeds at an applied stress of 121 MPa and the precipitates coarsen, the stress required for Orowan bowing is reached and this mechanism becomes active. At the minimum creep rate at an applied stress of 145 MPa, the finer precipitate size results in higher Orowan bowing stresses and the creep deformation is dominated by the climb of dislocations around the gamma' precipitates. C1 [Benz, Julian K.; Carroll, Laura J.; Wright, Jill K.; Wright, Richard N.; Lillo, Thomas M.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Benz, JK (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM laura.carroll@inl.gov RI Lilllo, Thomas/S-5031-2016; OI Lilllo, Thomas/0000-0002-7572-7883; Wright, Jill/0000-0001-8909-8144 FU U.S. Department of Energy-Nuclear Energy FX This work was part of the Very High Temperature Reactor (VHTR) High Temperature Materials program and supported through the U.S. Department of Energy-Nuclear Energy. The authors would like to thank the Boise State University Senior Design Team, Justin Allen, Allyssa Bateman, Yudhishthir Bhetwal, Theodora Caldwell, Joe Croteau, and Elias Lindau, for their work on an Alloy 617 creep model that sparked our interest in quantifying creep strengthening by gamma'. NR 44 TC 9 Z9 9 U1 2 U2 31 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 EI 1543-1940 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD JUN PY 2014 VL 45A IS 7 BP 3010 EP 3022 DI 10.1007/s11661-014-2244-y PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AG1JM UT WOS:000335171300008 ER PT J AU Munevar, J Micklitz, H Alzamora, M Arguello, C Goko, T Ning, FL Munsie, T Williams, TJ Aczel, AA Luke, GM Chen, GF Yu, W Uemura, YJ Baggio-Saitovitch, E AF Munevar, J. Micklitz, H. Alzamora, M. Argueello, C. Goko, T. Ning, F. L. Munsie, T. Williams, T. J. Aczel, A. A. Luke, G. M. Chen, G. F. Yu, W. Uemura, Y. J. Baggio-Saitovitch, E. TI Magnetism in superconducting EuFe2As1.4P0.6 single crystals studied by local probes SO SOLID STATE COMMUNICATIONS LA English DT Article DE Iron pnictides; Mossbatter spectroscopy; mu SR; Superconductivity AB We have studied the magnetism in superconducting single crystals of EuFe2As1.4P0.6 by using the local probe techniques of zero-field muon spin rotation/relaxation and Eu-151/Fe-57 Mossbauer spectroscopy. All of these measurements reveal magnetic hyperfine fields below the magnetic ordering temperature T-M = 18 K of the Eu2+ moments. The analysis of the data shows that there is a coexistence of antiferromagnetism, resulting from Eu2+ moments ordered along the crystallographic c-axis, and superconductivity below T-SC approximate to 10 K. We find indications for a change in the dynamics of the small Fe magnetic moments (similar to 0.07 mu(B)) at T* similar or equal to 15 K that may be triggering the onset of superconductivity: below T* the Fe magnetic moments seem to be "frozen" within the ab-plane. (C) 2014 Elsevier Ltd. All rights reserved C1 [Munevar, J.; Micklitz, H.; Alzamora, M.; Baggio-Saitovitch, E.] Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. [Argueello, C.; Goko, T.; Ning, F. L.; Uemura, Y. J.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Goko, T.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Ning, F. L.] Zhejiang Univ, Dept Phys, Hangzhou 310027, Zhejiang, Peoples R China. [Munsie, T.; Aczel, A. A.; Luke, G. M.] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada. [Aczel, A. A.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Luke, G. M.] Canadian Inst Adv Res, Toronto, ON M5G 1Z8, Canada. [Chen, G. F.; Yu, W.] Renmin Univ China, Beijing 100872, Peoples R China. RP Munevar, J (reprint author), Ctr Brasileiro Pesquisas Fis, Rua Xavier Sigaud 150, Rio De Janeiro, Brazil. EM munevar@cbpf.br RI Yu, Weiqiang/E-9722-2012; Saitovitch, Elisa/A-6769-2015; Luke, Graeme/A-9094-2010; Aczel, Adam/A-6247-2016; Williams, Travis/A-5061-2016 OI Aczel, Adam/0000-0003-1964-1943; Williams, Travis/0000-0003-3212-2726 FU US NSF under the Materials World Network (MWN) [DMR-0502706, 0806846]; Partnership for International Research and education programs at Columbia [PIKE: OISE-0968226]; Canadian NSERC; CIFAR at McMaster; CLAM (CNPq-NSF); CNPq; FAPERJ at CBPF in Rio de Janeiro, Brazil; NSFC; MOST of China: 973 project [2011CB605900]; CAPES FX This work has been supported by the US NSF under the Materials World Network (MWN: DMR-0502706 and 0806846) and the Partnership for International Research and education (PIKE: OISE-0968226) programs at Columbia, by Canadian NSERC and CIFAR at McMaster, and by CLAM (CNPq-NSF), CNPq and FAPERJ at CBPF in Rio de Janeiro, Brazil and NSFC and MOST of China: 973 project 2011CB605900 at 1013 in Beijing. H. Micklitz acknowledge visitor fellowships of CAPES and CNPq to work at CBPF. NR 20 TC 7 Z9 7 U1 1 U2 24 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-1098 EI 1879-2766 J9 SOLID STATE COMMUN JI Solid State Commun. PD JUN PY 2014 VL 187 BP 18 EP 22 DI 10.1016/j.ssc.2014.02.001 PG 5 WC Physics, Condensed Matter SC Physics GA AG3KB UT WOS:000335313700005 ER PT J AU Asara, GG Vines, F Ricart, JM Rodriguez, JA Illas, F AF Giacomo Asara, Gian Vines, Francesc Ricart, Josep M. Rodriguez, Jose A. Illas, Francesc TI When reconstruction comes around: Ni, Cu, and Au adatoms on delta-MoC(001) SO SURFACE SCIENCE LA English DT Article DE Transition metal carbides; MoC; Metal-support; DFT ID TRANSITION-METAL CARBIDES; GENERALIZED GRADIENT APPROXIMATION; 001 SURFACE; ELECTRONIC-STRUCTURE; OXIDE SURFACES; OXYGEN; DISSOCIATION; ADSORPTION; BULK; CO AB The interaction of Au, Cu, and Ni metal atoms with the delta-MoC(001) surface was studied using periodic density functional (DF) calculations to analyze adsorption energies and equilibrium geometries, work functions, atomic charges, projected density of states (PDOS), and shifts of the transition metal d-band center. The atomic adsorption is found to cause an in-plane distortion of the surface, and, besides, the interaction strength turns to be coverage dependent. A lower coverage allows for a better accommodation of the adsorbate, alongside causing a d-band center shift to more negative energies, as shown by plots of the PDOS. Regardless of the coverage, interaction strength diminishes following the order Ni > Cu > Au. Adatom chemical activity can be inferred based on the calculated d-band center; Ni being the most active metal, followed by Cu, and then Au for every coverage studied. This result well correlates with experiments on other transition metal carbides. Atomic adsorption also diminishes surface work function. (C) 2014 Elsevier B.V. All rights reserved. C1 [Giacomo Asara, Gian; Ricart, Josep M.] Univ Rovira & Virgili, Dept Quim Fis & Inorgan, E-43007 Tarragona, Spain. [Giacomo Asara, Gian; Vines, Francesc; Illas, Francesc] Univ Barcelona, Dept Quim Fis, E-08028 Barcelona, Spain. [Giacomo Asara, Gian; Vines, Francesc; Illas, Francesc] Univ Barcelona, IQTCUB, E-08028 Barcelona, Spain. [Rodriguez, Jose A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Illas, F (reprint author), Univ Barcelona, Dept Quim Fis, C Marti & Franques 1, E-08028 Barcelona, Spain. EM francesc.illas@ub.edu RI Ricart, Josep/K-9802-2014; Illas, Francesc /C-8578-2011 OI Ricart, Josep/0000-0002-2610-5535; Illas, Francesc /0000-0003-2104-6123 FU Generalitat de Catalunya [2009SGR1041] FX This work was supported by the Spanish MICINN and MINECO (FIS2008-02238 and CTQ2012-30751 grants, respectively) and by Generalitat de Catalunya (grants 2009SGR1041 and XRQTC). G.G.A. thanks Universitat Rovira i Virgili for supporting his predoctoral research. F.V. thanks MINECO for a postdoctoral Juan de la Cierva grant (JCI-201006372). F.I. acknowledges additional support through the ICREA Academia award for excellence in research. J.A.R. is grateful for financial support by the US Department of Energy, Basic Energy Sciences Office (DE-ACO2-98CH10886). Computational time at the MARENOSTRUIVI supercomputer has been generously provided by the Barcelona Super-computing center. NR 40 TC 1 Z9 1 U1 5 U2 39 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD JUN PY 2014 VL 624 BP 32 EP 36 DI 10.1016/j.susc.2014.01.015 PG 5 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA AG0HZ UT WOS:000335097900006 ER PT J AU Yang, XF Richmond, MC Scheibe, TD Perkins, WA Resat, H AF Yang, Xiaofan Richmond, Marshall C. Scheibe, Timothy D. Perkins, William A. Resat, Haluk TI Flow Partitioning in Fully Saturated Soil Aggregates SO TRANSPORT IN POROUS MEDIA LA English DT Article DE Soil aggregate; Porous media; Pore-scale modelling; Water saturation; Flow partitioning; Hydraulic conductivity; Preferential flow pathways; Nutrient transport; Computational fluid dynamics ID COMPUTATIONAL FLUID-DYNAMICS; RAY COMPUTED-TOMOGRAPHY; FIXED-BED REACTORS; ORGANIC-MATTER; POROUS-MEDIA; ECOLOGICAL THEORY; GLOBAL ARRAYS; HEAT-TRANSFER; CFD; CARBON AB Microbes play an important role in facilitating organic matter decomposition in soils, which is a major component of the global carbon cycle. Microbial dynamics are intimately coupled to environmental transport processes, which control access to labile organic matter and other nutrients that are needed for the growth and maintenance of microorganisms. Transport of soluble nutrients in the soil system is arguably most strongly impacted by preferential flow pathways in the soil. Since the physical structure of soils can be characterized as being formed from constituent micro-aggregates which contain internal porosity, one pressing question is the partitioning of the flow among the "inter-aggregate" and "intra-aggregate" pores and how this may impact overall solute transport within heterogeneous soil structures. The answer to this question is particularly important in evaluating assumptions to be used in developing upscaled simulations based on highly resolved mechanistic models. In our synthetic model of soils, firstly we statistically generated a number of micro-aggregates containing internal pores. Then we constructed a group of diverse multi-aggregate structures with different packing ratios by stacking those micro-aggregates and varying the size and shape of inter-aggregate pore spacing between them. We then performed pore-scale flow simulations using computational fluid dynamics methods to determine the flow patterns in these aggregate-of-aggregates structures and computed the partitioning of the flow through intra- and inter-aggregate pores as a function of the spacing between the aggregates. The results of these numerical experiments demonstrate that soluble nutrients are largely transported via flows through inter-aggregate pores. Although this result is consistent with intuition, we have also been able to quantify the relative flow capacity of the two domains under various conditions. For example, in our simulations, the flow capacity through the aggregates (intra-aggregate flow) was less than 2 % of the total flow when the spacing between the aggregates was larger than . Inter-aggregate pores continued to be the dominant flow pathways even at much smaller spacing; intra-aggregate flow was less than 10 % of the total flow when the inter- and intra-aggregate pore sizes were comparable. Although the results may not be exactly the same as those obtained from actual soil systems, such studies are making it possible to identify which model upscaling assumptions are realistic and what computational methods are required for detailed numerical investigation of hydrodynamics and microbial carbon cycling dynamics in soil systems. C1 [Yang, Xiaofan; Richmond, Marshall C.; Scheibe, Timothy D.; Perkins, William A.] Pacific NW Natl Lab, Hydrol Grp, Richland, WA 99352 USA. [Resat, Haluk] Pacific NW Natl Lab, Computat Biol & Bioinformat Grp, Richland, WA 99352 USA. [Resat, Haluk] Washington State Univ, Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. RP Resat, H (reprint author), Pacific NW Natl Lab, Computat Biol & Bioinformat Grp, POB 999,MS J4-33, Richland, WA 99352 USA. EM haluk.resat@wsu.edu RI Richmond, Marshall/D-3915-2013; Scheibe, Timothy/A-8788-2008; Yang, Xiaofan/L-6472-2015 OI Richmond, Marshall/0000-0003-0111-1485; Scheibe, Timothy/0000-0002-8864-5772; Yang, Xiaofan/0000-0003-4514-0229 FU Microbial Communities Initiative; Extreme Scale Computing Initiative LDRD Programs at the Pacific Northwest National Laboratory; U.S. Department of Energy [DE-AC06-76RL01830] FX The research described in this paper was funded by the Microbial Communities Initiative and Extreme Scale Computing Initiative LDRD Programs at the Pacific Northwest National Laboratory, a multi-program national laboratory operated by Battelle for the U.S. Department of Energy under Contract DE-AC06-76RL01830. Reported simulations were performed using the PNNL Institutional Computing (PIC) resources. We thank Allan Konopka for useful discussions. NR 51 TC 4 Z9 4 U1 4 U2 44 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0169-3913 EI 1573-1634 J9 TRANSPORT POROUS MED JI Transp. Porous Media PD JUN PY 2014 VL 103 IS 2 BP 295 EP 314 DI 10.1007/s11242-014-0302-y PG 20 WC Engineering, Chemical SC Engineering GA AG1JD UT WOS:000335170400008 ER PT J AU O'Malley, D Vesselinov, VV AF O'Malley, D. Vesselinov, V. V. TI Analytical solutions for anomalous dispersion transport SO ADVANCES IN WATER RESOURCES LA English DT Article DE Anomalous dispersion; Stochastic transport; Analytical solutions ID HIGHLY HETEROGENEOUS FORMATIONS; NON-FICKIAN TRANSPORT; MACRODISPERSION EXPERIMENT; PARTICLE TRACKING; POROUS-MEDIA; 3-DIMENSIONAL AQUIFERS; FRACTIONAL DISPERSION; NUMERICAL SIMULATIONS; CONTAMINANT TRANSPORT; SENSITIVITY INDEXES AB Groundwater flow and transport often occur in a highly heterogeneous environment (potentially heterogeneous at multiple spatial scales) and is impacted by geochemical reactions, advection, diffusion, and other pore scale processes. All these factors can give rise to large-scale anomalous dispersive behavior that can make complex model representation and prediction of plume concentrations challenging due to difficulties unraveling all the complexities associated with the governing processes, flow medium, and their parameters. An alternative is to use upscaled stochastic models of anomalous dispersion, and this is the approach used here. Within a probabilistic framework, we derive a number of analytical solutions for several anomalous dispersion models. The anomalous dispersion models are allowed to be either non-Gaussian (alpha-stable Levy), correlated, or nonstationary from the Lagrangian perspective. A global sensitivity analysis is performed to gain a greater understanding of the extent to which uncertainty in the parameters associated with the anomalous behavior can be narrowed by examining concentration measurements from a network of monitoring wells and to demonstrate the computational speed of the solutions. The developed analytical solutions are encoded and available for use in the open source computational framework MADS (http://mads.lanl.gov). Published by Elsevier Ltd. C1 [O'Malley, D.; Vesselinov, V. V.] Los Alamos Natl Lab, Div Earth & Environm Sci, Computat Earth Sci Grp, Los Alamos, NM 87545 USA. RP O'Malley, D (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Computat Earth Sci Grp, Los Alamos, NM 87545 USA. EM omalled@lanl.gov; vvv@lanl.gov RI Vesselinov, Velimir/P-4724-2016; OI Vesselinov, Velimir/0000-0002-6222-0530; O'Malley, Daniel/0000-0003-0432-3088 FU Environmental Programs Directorate of the Los Alamos National Laboratory; Advanced Simulation Capability for Environmental Management (ASCEM) project, Department of Energy, Environmental Management; Integrated Multifaceted Approach to Mathematics at the Interfaces of Data, Models, and Decisions (DiaMonD) project, Department of Energy, Office of Science FX The authors wish to thank four anonymous reviewers for comments that substantially improved the manuscript. This research was funded by the Environmental Programs Directorate of the Los Alamos National Laboratory; the Advanced Simulation Capability for Environmental Management (ASCEM) project, Department of Energy, Environmental Management; and the Integrated Multifaceted Approach to Mathematics at the Interfaces of Data, Models, and Decisions (DiaMonD) project, Department of Energy, Office of Science. NR 71 TC 1 Z9 1 U1 0 U2 31 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD JUN PY 2014 VL 68 BP 13 EP 23 DI 10.1016/j.advwatres.2014.02.006 PG 11 WC Water Resources SC Water Resources GA AF6WV UT WOS:000334856200002 ER PT J AU Shin, HM McKone, TE Nishioka, MG Fallin, MD Croen, LA Hertz-Picciotto, I Newschaffer, CJ Bennett, DH AF Shin, H. -M. McKone, T. E. Nishioka, M. G. Fallin, M. D. Croen, L. A. Hertz-Picciotto, I. Newschaffer, C. J. Bennett, D. H. TI Determining source strength of semivolatile organic compounds using measured concentrations in indoor dust SO INDOOR AIR LA English DT Article DE Personal care products; Flame retardants; Emission rates; Dust; Phthalates; Modeling ID ORGANOPHOSPHATE FLAME RETARDANTS; POLYBROMINATED DIPHENYL ETHERS; ENDOCRINE-DISRUPTING COMPOUNDS; PERSONAL CARE PRODUCTS; HOUSE-DUST; CONSUMER PRODUCTS; HUMAN EXPOSURE; SETTLED DUST; PHTHALATE PLASTICIZER; AIRBORNE PARTICLES AB Consumer products and building materials emit a number of semivolatile organic compounds (SVOCs) in the indoor environment. Because indoor SVOCs accumulate in dust, we explore the use of dust to determine source strength and report here on analysis of dust samples collected in 30 US homes for six phthalates, four personal care product ingredients, and five flame retardants. We then use a fugacity-based indoor mass balance model to estimate the whole-house emission rates of SVOCs that would account for the measured dust concentrations. Di-2-ethylhexyl phthalate (DEHP) and di-iso-nonyl phthalate (DiNP) were the most abundant compounds in these dust samples. On the other hand, the estimated emission rate of diethyl phthalate is the largest among phthalates, although its dust concentration is over two orders of magnitude smaller than DEHP and DiNP. The magnitude of the estimated emission rate that corresponds to the measured dust concentration is found to be inversely correlated with the vapor pressure of the compound, indicating that dust concentrations alone cannot be used to determine which compounds have the greatest emission rates. The combined dust-assay modeling approach shows promise for estimating indoor emission rates for SVOCs. C1 [Shin, H. -M.; Hertz-Picciotto, I.; Bennett, D. H.] Univ Calif Davis, Dept Publ Hlth Sci, Davis, CA 95616 USA. [McKone, T. E.] Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. [McKone, T. E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Nishioka, M. G.] Ohio State Univ, Coll Publ Hlth, Columbus, OH 43210 USA. [Fallin, M. D.] Johns Hopkins Univ, Dept Epidemiol, Baltimore, MD USA. [Croen, L. A.] Kaiser Permanente No Calif, Div Res, Oakland, CA USA. [Newschaffer, C. J.] Drexel Univ, Dept Epidemiol & Biostat, Philadelphia, PA 19104 USA. RP Shin, HM (reprint author), Univ Calif Davis, One Shields Ave,MS1-C, Davis, CA 95616 USA. EM hmshin@ucdavis.edu FU American Chemistry Council [3-DBACC01]; EARLI Network; National Institute of Health Autism Center of Excellence (ACE); Autism Speaks FX The modeling is funded by the American Chemistry Council (Grant#: 3-DBACC01). The EARLI Network paid for collection and analysis of dust samples and is funded by the National Institute of Health Autism Center of Excellence (ACE). EARLI has also received supplemental funding from Autism Speaks. NR 62 TC 6 Z9 7 U1 6 U2 63 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0905-6947 EI 1600-0668 J9 INDOOR AIR JI Indoor Air PD JUN PY 2014 VL 24 IS 3 BP 260 EP 271 DI 10.1111/ina.12070 PG 12 WC Construction & Building Technology; Engineering, Environmental; Public, Environmental & Occupational Health SC Construction & Building Technology; Engineering; Public, Environmental & Occupational Health GA AF9AW UT WOS:000335008300005 PM 24118221 ER PT J AU Liu, C Li, G Kauffman, DR Pang, GS Jin, RC AF Liu, Chao Li, Gao Kauffman, Douglas R. Pang, Guangsheng Jin, Rongchao TI Synthesis of ultrasmall platinum nanoparticles and structural relaxation SO JOURNAL OF COLLOID AND INTERFACE SCIENCE LA English DT Article DE Pt; Ultrasmall nanoparticles; Nanoclusters; 8 kDa; Thiolate ID THIOLATE-PROTECTED AU-38; TOF MASS-SPECTROMETRY; CATALYTIC-PROPERTIES; METHANOL OXIDATION; GOLD NANOCLUSTERS; OXYGEN REDUCTION; SIZE; HYDROGENATION; MONODISPERSE; PERFORMANCE AB We report the synthesis of ligand-protected, ultrasmall Pt nanoparticles of 1 nm size via a one-phase wet chemical method. Using matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS), we determined the mass of the nanoparticles to be 8 kDa. Characterization of the Pt nanoparticles was further carried out by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), thermogravimetric analysis (TGA), optical absorption spectroscopy, and X-ray photoelectron spectroscopy (XPS). Interestingly, we observed a large structural relaxation in the 8 kDa nanoparticles (i.e. lattice parameter elongation by +10%) compared to bulk platinum. XPS analysis revealed a positive shift of Pt 4f core level energy by approximately +1 eV compared with bulk Pt, indicating charge transfer from Pt to S atom of the thiolate ligand on the particle. Compared to bulk Pt, the 5d band of Pt nanoparticles is narrower and shifts to higher binding energy. Overall, the similar to 1 nm ultrasmall Pt nanoparticles exhibit quite distinct differences in electronic and structural properties compared to their larger counterparts and bulk Pt. (C) 2014 Elsevier Inc. All rights reserved. C1 [Liu, Chao; Li, Gao; Jin, Rongchao] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA. [Liu, Chao; Pang, Guangsheng] Jilin Univ, State Key Lab Inorgan Synth & Preparat Chem, Changchun 130012, Jilin, Peoples R China. [Kauffman, Douglas R.] US DOE, NETL, Pittsburgh, PA 15236 USA. RP Jin, RC (reprint author), Carnegie Mellon Univ, Dept Chem, 4400 Fifth Ave, Pittsburgh, PA 15213 USA. EM anna.liuchao@gmail.com; gaoli@andrew.cmu.edu; Douglas.Kauffman@CONTR.NETL.DOE.GOV; panggs@jlu.edu.cn; rongchao@andrew.cmu.edu OI Kauffman, Douglas/0000-0002-7855-3428 FU China Scholarship Council; National Natural Science Foundation of China [21071058]; Air Force Office of Scientific Research under AFOSR Award [FA9550-11-1-9999 (FA9550-11-1-0147)] FX C.L. acknowledges the fellowship support by China Scholarship Council. S.P. acknowledges support by National Natural Science Foundation of China (#21071058). R.J. acknowledges support by the Air Force Office of Scientific Research under AFOSR Award No. FA9550-11-1-9999 (FA9550-11-1-0147). NR 48 TC 9 Z9 9 U1 4 U2 92 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9797 EI 1095-7103 J9 J COLLOID INTERF SCI JI J. Colloid Interface Sci. PD JUN 1 PY 2014 VL 423 BP 123 EP 128 DI 10.1016/j.jcis.2014.02.022 PG 6 WC Chemistry, Physical SC Chemistry GA AF8PD UT WOS:000334977200018 PM 24703677 ER PT J AU Thissen, JB McLoughlin, K Gardner, S Gu, P Mabery, S Slezak, T Jaing, C AF Thissen, James B. McLoughlin, Kevin Gardner, Shea Gu, Pauline Mabery, Shalini Slezak, Tom Jaing, Crystal TI Analysis of sensitivity and rapid hybridization of a multiplexed Microbial Detection Microarray SO JOURNAL OF VIROLOGICAL METHODS LA English DT Article DE Microarray; Pathogen; Detection; Virus; Clinical; Environmental ID PATHOGEN DETECTION; RESPIRATORY VIRUSES; PCR; ASSAY; RNA AB Microarrays have proven to be useful in rapid detection of many viruses and bacteria. Pathogen detection microarrays have been used to diagnose viral and bacterial infections in clinical samples and to evaluate the safety of biological drug materials. A multiplexed version of the Lawrence Livermore Microbial Detection Array (LLMDA) was developed and evaluated with minimum detectable concentrations for pure unamplified DNA viruses, along with mixtures of viral and bacterial DNA subjected to different whole genome amplification protocols. In addition the performance of the array was tested when hybridization time was reduced from 17 h to 1 h. The LLMDA was able to detect unamplified vaccinia virus DNA at a concentration of 14 fM, or 100,000 genome copies in 12 ILL of sample. With amplification, positive identification was made with only 100 genome copies of input material. When tested against human stool samples from patients with acute gastroenteritis, the microarray detected common gastroenteritis viral and bacterial infections such as rotavirus and E. coli. Accurate detection was found but with a 4-fold drop in sensitivity fora 1 h compared to a 17 h hybridization. The array detected 2 ng (equivalent concentration of 15.6 fM) of labeled DNA from a virus with 1 h hybridization without any amplification, and was able to identify the components of a mixture of viruses and bacteria at species and in some cases strain level resolution. Sensitivity improved by three orders of magnitude with random whole genome amplification prior to hybridization; for instance, the array detected a DNA virus with only 20 fg or 100 genome copies as input. This multiplexed microarray is an efficient tool to analyze clinical and environmental samples for the presence of multiple viral and bacterial pathogens rapidly. (C) 2014 The Authors. Published by Elsevier B.V. All rights reserved. C1 [Thissen, James B.; Gu, Pauline; Mabery, Shalini; Jaing, Crystal] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. [McLoughlin, Kevin; Gardner, Shea; Slezak, Tom] Lawrence Livermore Natl Lab, Computat Directorate, Livermore, CA 94551 USA. RP Jaing, C (reprint author), Lawrence Livermore Natl Lab, POB 808,Mailstop L-452, Livermore, CA 94551 USA. EM jaing2@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 20 TC 6 Z9 7 U1 3 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-0934 EI 1879-0984 J9 J VIROL METHODS JI J. Virol. Methods PD JUN 1 PY 2014 VL 201 BP 73 EP 78 DI 10.1016/j.jviromet.2014.01.024 PG 6 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Virology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Virology GA AF8QA UT WOS:000334979500013 PM 24602557 ER PT J AU Escobedo, JP Field, DP Leblanc, MM Florando, JN Lassila, DH AF Escobedo, J. P. Field, D. P. Leblanc, M. M. Florando, J. N. Lassila, D. H. TI Influence of pressure on the microstructural evolution of Ta during shear deformation SO SCRIPTA MATERIALIA LA English DT Article DE High pressure; Mechanical behavior; Dislocation dynamics; Tantalum; bcc ID HYDROSTATIC-PRESSURE; PLASTIC-DEFORMATION; FLOW-STRESS; METALS; DISLOCATIONS; MECHANISMS; CRYSTALS; DYNAMICS; BEHAVIOR; MODEL AB The effect of high pressure on the mechanical behavior and accompanying microstructural evolution in Ta has been investigated. Thin-foil Ta samples were deformed while being subjected to pressures in the 1-5 GPa range in a modified opposed-anvil Bridgman apparatus. Examination of deformed microstructures revealed similar changes in texture in all samples, independent of pressure. However, dislocation structures are observed to change from entanglements to well-developed dislocation cells with increasing pressure. Dislocation dynamics simulations are used to explain the experimental results. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Escobedo, J. P.; Field, D. P.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. [Leblanc, M. M.; Florando, J. N.; Lassila, D. H.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Escobedo, JP (reprint author), Univ New S Wales, Canberra, BC 2610, Australia. EM j.escobedo-diaz@adfa.edu.au RI Field, David/D-5216-2012; OI Field, David/0000-0001-9415-0795; Escobedo-Diaz, Juan/0000-0003-2413-7119 FU U.S. Department of Energy [DE-AC52-07NA27344] FX The authors thank Dr. H.M. Zbib and Dr. I. Mastorakos at WSU for their help with the DD simulations as well as R.A. Lebensohn at LANL for providing us with the VPSC code. Dr. Luke Hsiung is also thanked for his help with TEM analysis. 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 28 TC 1 Z9 1 U1 2 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD JUN PY 2014 VL 80 BP 21 EP 24 DI 10.1016/j.scriptamat.2014.02.006 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA AG0IR UT WOS:000335099700006 ER PT J AU Brady, MP Bei, H Meisner, RA Lance, MJ Tortorelli, PF AF Brady, M. P. Bei, H. Meisner, R. A. Lance, M. J. Tortorelli, P. F. TI Effect of Mo dispersion size and water vapor on oxidation of two-phase directionally solidified NiAl-9Mo in-situ composites SO SCRIPTA MATERIALIA LA English DT Article DE Oxidation; NiAl-Mo eutectic; Directional solidification; Nickel aluminides; Composites ID MECHANICAL-PROPERTIES; EUTECTIC ALLOY; BEHAVIOR; CREEP AB Oxidation of NiAl-9Mo eutectics with three different second-phase Mo dispersion sizes was investigated at 900 C in dry and wet air. Good oxidation resistance via alumina formation was observed in dry air, with MoO3 volatilization minimized by submicron Mo dispersions. However, although mass change measurements were similar in dry/wet air, extensive volatilization and in-place internal oxidation of prior Mo phase regions was observed in wet air. The ramifications of this phenomenon for the development of multiphase high-temperature alloys are discussed. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Brady, M. P.; Bei, H.; Meisner, R. A.; Lance, M. J.; Tortorelli, P. F.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Brady, MP (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM bradymp@ornl.gov RI Brady, Michael/A-8122-2008; Lance, Michael/I-8417-2016; OI Brady, Michael/0000-0003-1338-4747; Lance, Michael/0000-0001-5167-5452; Bei, Hongbin/0000-0003-0283-7990 FU US Department of Energy Office of Fossil Energy, Coal and Power RD FX T. Lowe, M. Stephens and G. Garner conducted are thanked for experimental work and J.A.comments.Research sponsored by the US Department of Energy Office of Fossil Energy, Coal and Power R&D. NR 22 TC 2 Z9 2 U1 1 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD JUN PY 2014 VL 80 BP 33 EP 36 DI 10.1016/j.scriptamat.2014.02.011 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA AG0IR UT WOS:000335099700009 ER PT J AU Hicks, BB Pendergrass, WR Vogel, CA Keener, RN Leyton, SM AF Hicks, B. B. Pendergrass, W. R., III Vogel, C. A. Keener, R. N., Jr. Leyton, S. M. TI On the Micrometeorology of the Southern Great Plains 1: Legacy Relationships Revisited SO BOUNDARY-LAYER METEOROLOGY LA English DT Article DE Dimensional analysis; Fluxes; Normalization; Sunrise; Thermal stability; Vertical gradients ID FLUX-GRADIENT RELATIONSHIPS; SELF-CORRELATION; BOUNDARY-LAYER; PROFILE; HEAT AB Data from a 32-m tower located near Ocotillo, Texas (N; W), provide an opportunity to examine the relevance of standard micrometeorological flux-gradient formulations to observations made in an area characteristic of a large portion of the central USA, within the Southern Great Plains. Comparison with data obtained at a greater height (80 m) reveals that the velocity distributions change substantially between the lower set of observations and the upper, with the former being constrained at the low wind-speed end. In the early morning, sensible heat-flux divergence correlates well with the measured rate of change of temperature with time within the surface layer of air sampled by the tower, but this association disappears when the depth of the mixed layer extends beyond the reach of the tower. As in the case of all previous examinations of flux-gradient relationships, the overall dependence of the dimensionless wind and temperature gradients and on stability is characterized by considerable scatter, with the familiar relationships best describing the average. For conditions of stable stratification, there is indeed the expected close proximity of and , however, describing either or in terms of the classical stability index (where is the height above the zero plane and L is the Obukhov length scale of turbulence) then appears questionable because the dependence of on the measured sensible heat flux is not always single-valued, especially near the surface. For unstable stratification, support is found for the conclusions of early workers that free convection initiates at about , and that the general behaviour is then compatible with the concept of a moving air mass from which momentum is continuously extracted, embedded within freely convective cells. It is concluded that legacy descriptions of the relationships between fluxes and gradients apply to averages that might occur rarely, that a dominant factor is likely the chaotic nature of the processes that control the variables considered in these relationships, and that the net consequence of the original randomness is that the levels of predictability theoretically attainable might never be realized in practice. C1 [Hicks, B. B.] MetCorps, Norris, TN 37828 USA. [Pendergrass, W. R., III; Vogel, C. A.] NOAA ARL ATDD, Oak Ridge, TN 37831 USA. [Vogel, C. A.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA. [Keener, R. N., Jr.; Leyton, S. M.] Duke Energy, Charlotte, NC 28202 USA. RP Hicks, BB (reprint author), MetCorps, POB 1510, Norris, TN 37828 USA. EM hicks.metcorps@gmail.com RI Pendergrass, William/C-9073-2016 NR 21 TC 2 Z9 2 U1 1 U2 12 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0006-8314 EI 1573-1472 J9 BOUND-LAY METEOROL JI Bound.-Layer Meteor. PD JUN PY 2014 VL 151 IS 3 BP 389 EP 405 DI 10.1007/s10546-013-9902-2 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AF0ZC UT WOS:000334442900001 ER PT J AU Bhavaraju, L Shannahan, J William, A McCormick, R McGee, J Kodavanti, U Madden, M AF Bhavaraju, Laya Shannahan, Jonathan William, Aaron McCormick, Robert McGee, John Kodavanti, Urmila Madden, Michael TI Diesel and biodiesel exhaust particle effects on rat alveolar macrophages with in vitro exposure SO CHEMOSPHERE LA English DT Article DE Prostaglandin E-2; Alveolar macrophages; Biodiesel exhaust; Diesel exhaust ID PARTICULATE MATTER; OXIDATIVE STRESS; EMISSION PARTICLES; COX-2 EXPRESSION; ENGINE; INHALATION; TOXICITY; CARBON; FUEL; PM AB Combustion emissions from diesel engines emit particulate matter which deposits within the lungs. Alveolar macrophages (AMs) encounter the particles and attempt to engulf the particles. Emissions particles from diesel combustion engines have been found to contain diverse biologically active components including metals and polyaromatic hydrocarbons which cause adverse health effects. However little is known about AM response to particles from the incorporation of biodiesel. The objective of this study was to examine the toxicity in Wistar Kyoto rat AM of biodiesel blend (B20) and low sulfur petroleum diesel (PDEP) exhaust particles. Particles were independently suspended in media at a range of 1-500 mu g mL(-1). Results indicated B20 and PDEP initiated a dose dependent increase of inflammatory signals from AM after exposure. After 24 h exposure to B20 and PDEP gene expression of cyclooxygenase-2 (COX-2) and macrophage inflammatory protein 2 (MIP-2) increased. B20 exposure resulted in elevated prostaglandin E-2 (PGE(2)) release at lower particle concentrations compared to PDEP. B20 and PDEP demonstrated similar affinity for sequestration of PGE(2) at high concentrations, suggesting detection is not impaired. Our data suggests PGE(2) release from AM is dependent on the chemical composition of the particles. Particle analysis including measurements of metals and ions indicate B20 contains more of select metals than PDEP. Other particle components generally reduced by 20% with 20% incorporation of biodiesel into original diesel. This study shows AM exposure to B20 results in increased production of PGE(2) in vitro relative to diesel. Published by Elsevier Ltd. C1 [Bhavaraju, Laya] Univ N Carolina, Currciculum Toxicol, Chapel Hill, NC USA. [Shannahan, Jonathan] Univ Colorado, Sch Pharm, Denver, CO 80202 USA. [William, Aaron; McCormick, Robert] Natl Renewable Energy Lab, Golden, CO USA. [McGee, John; Kodavanti, Urmila; Madden, Michael] US EPA, NHEERL, EPHD, Res Triangle Pk, NC 27711 USA. RP Madden, M (reprint author), US EPA, Human Studies Facil, 104 Mason Farm Rd, Chapel Hill, NC 27599 USA. EM madden.michael@epa.gov RI McCormick, Robert/B-7928-2011 FU NIEHS Toxicology Training Grant [T32 ES007126]; UNC-EPA [CR833237] FX Supported in part by NIEHS Toxicology Training Grant, T32 ES007126 and UNC-EPA Training Agreement CR833237. NR 35 TC 5 Z9 5 U1 3 U2 27 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 EI 1879-1298 J9 CHEMOSPHERE JI Chemosphere PD JUN PY 2014 VL 104 BP 126 EP 133 DI 10.1016/j.chemosphere.2013.10.080 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA AE6EX UT WOS:000334084500019 PM 24268344 ER PT J AU Parab, ND Claus, B Hudspeth, MC Black, JT Mondal, A Sun, JZ Fezzaa, K Xiao, XH Luo, SN Chen, WN AF Parab, Niranjan D. Claus, Benjamin Hudspeth, Matthew C. Black, John T. Mondal, Alex Sun, Jianzhuo Fezzaa, Kemal Xiao, Xianghui Luo, S. N. Chen, Wayne TI Experimental assessment of fracture of individual sand particles at different loading rates SO INTERNATIONAL JOURNAL OF IMPACT ENGINEERING LA English DT Article DE Strength of granular materials; High rate X-ray phase contrast imaging; Sand penetration; Kolsky bar ID PROJECTILE PENETRATING SAND; IMPACT; COMPRESSION; DYNAMICS; MEDIA AB Fracture of individual sand particles under compressive loading at different loading rates was investigated using X-ray imaging. High speed X-ray phase contrast imaging (PCI) was utilized to study the damage mechanisms in dry and wet sand particles under dynamic compressive loading. A modified Kolsky bar setup was used to apply controlled dynamic compression on two contacting sand particles. Pulverization was observed as the sole mode of failure for dry sand particles. Under wet conditions, one of the particles was observed to break into large sub-particles which pulverized upon further loading. 3-D X-ray tomography was used to assess the failure of sand particles under static compressive loading. Breaking into large sub-particles followed by pulverization was observed under static compressive loading. The order of pulverization for the particles was observed to be random in all experiments. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Parab, Niranjan D.; Claus, Benjamin; Hudspeth, Matthew C.; Black, John T.; Mondal, Alex; Sun, Jianzhuo; Chen, Wayne] Purdue Univ, Sch Aeronaut & Astronaut, W Lafayette, IN 47906 USA. [Fezzaa, Kemal; Xiao, Xianghui] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Luo, S. N.] Sichuan Univ, Peac Inst Multiscale Sci, Chengdu 610207, Peoples R China. [Chen, Wayne] Purdue Univ, Sch Mat Sci Engn, W Lafayette, IN 47906 USA. RP Chen, WN (reprint author), Purdue Univ, Sch Aeronaut & Astronaut, Neil Armstrong Hall Engn,701 West Stadium Ave, W Lafayette, IN 47906 USA. EM nparab@purdue.edu; bclaus@purdue.edu; mhudspet@purdue.edu; black49@purdue.edu; amondal@purdue.edu; sun146@purdue.edu; fezzaa@aps.anl.gov; xhxiao@aps.anl.gov; shengnluo@126.com; wchen@purdue.edu RI Luo, Sheng-Nian /D-2257-2010; OI Luo, Sheng-Nian /0000-0002-7538-0541; Parab, Niranjan/0000-0002-3215-1466 FU U.S. DOE [DE-ACO2-06CH11357] FX We appreciate professional help from A. Deny and Pavel Shevchenko (ANL) with certain technical and safety aspects of our experiments at APS. 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-ACO2-06CH11357. NR 26 TC 14 Z9 15 U1 4 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0734-743X EI 1879-3509 J9 INT J IMPACT ENG JI Int. J. Impact Eng. PD JUN PY 2014 VL 68 BP 8 EP 14 DI 10.1016/j.ijimpeng.2014.01.003 PG 7 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA AF1OM UT WOS:000334483200002 ER PT J AU Yang, YW Wu, GF Nassiri, A AF Yang, Yawei Wu, Genfa Nassiri, Alireza TI Time-resolved thermometry for superconducting deflecting cavity development SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Superconducting deflecting cavity; Cryogenic thermometry; Thermal breakdown; Multipacting; Q-slope AB A time-resolved thermometry system has been developed for the superconducting deflecting cavity development at Argonne National Lab. The time resolution of the thermometry can be as fast as 50 mu s. The spatial distribution as well as the temporal evolution of the temperature rises can be recorded. Using this system, we demonstrate that the Common loss mechanisms in a superconducting rf cavity have different temporal evolution characteristics. Thus we can make use of these characteristics to locate and identity different losses with better accuracy. Two of the four fabricated deflecting cavities have been investigated, and the thermometry system has successfully located and identified the cavity limitations. Based on the thermometry findings, proper treatments have successfully improved the cavity performance. (C) 2014 Elsevier B.V. All rights reserved. C1 [Yang, Yawei] Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. [Yang, Yawei; Wu, Genfa; Nassiri, Alireza] Argonne Natl Lab, Argonne, IL 60439 USA. RP Yang, YW (reprint author), Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. EM yyw721@gmail.com FU U.S. Department of Energy, Basic Energy Sciences, Office of Science [DE-AC02-06CH11357] FX The authors would like to thank J. Holzbauer (ANL), J. Mammosser (JLAB), H. Wang (JLAB), J. Fuerst (ANL), J. Kaluzny (ANL), P. Dhakal (JLAB) for their help in the cavity vertical tests. We are particularly grateful to A. Crawford (FNAL) for his work on the optical inspection and electropolishing. We would like to acknowledge William Yoder (ANL) and Michael Drackley (ANL) for their help in the development of the cavity thermometry system. This work is supported by the U.S. Department of Energy, Basic Energy Sciences, Office of Science, under Contract no. DE-AC02-06CH11357. NR 11 TC 0 Z9 0 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2014 VL 748 BP 7 EP 11 DI 10.1016/j.nima.2014.01.016 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA AE6BX UT WOS:000334074500002 ER PT J AU Lim, S Chundawat, SPS Fox, BG AF Lim, Sungsoo Chundawat, Shishir P. S. Fox, Brian G. TI Expression, purification and characterization of a functional carbohydrate-binding module from Streptomyces sp SirexAA-E SO PROTEIN EXPRESSION AND PURIFICATION LA English DT Article DE Carbohydrate-binding module (CBM); Streptomyces sp SirexAA-E; Protein refolding; Cellulose; Biofuels ID CELLULOMONAS-FIMI; CRYSTALLINE CELLULOSE; CLOSTRIDIUM-CELLULOVORANS; ESCHERICHIA-COLI; XYLANASE 10A; DOMAIN; PROTEIN; SPECIFICITY; DECONSTRUCTION; EXOGLUCANASE AB Streptomyces sp. SirexAA-E (ActE) has been identified as a highly cellulolytic actinobacterium capable of deconstructing lignocellulosic biomass. SirexAA-E CAZymes most frequently contain a carbohydratebinding module from family 2a (CBM2a). The DNA encoding the CBM2a from gene locus SACTE_0237, the most abundantly expressed cellulase from SirexAA-E, was cloned into an Escherichia colt expression vector and expressed as a C-terminal fusion protein to GFP. The GFP-CBM2a fusion protein was purified from insoluble inclusion bodies and refolded. The solubilized protein was separated by size-exclusion chromatography into high molecular weight GFP-CBM2a multimers and monomeric GFP-CBM2a. Only the monomeric CBM2a protein was found to have high relative affinity (partition coefficient of 0.62 +/- 0.04 L/g) to cellulose. Binding of monomeric CBM2a prepared in this manner exhibits fully reversible, high affinity binding to cellulose. (C) 2014 Elsevier Inc. All rights reserved. C1 [Lim, Sungsoo; Chundawat, Shishir P. S.; Fox, Brian G.] Univ Wisconsin, Dept Biochem, Madison, WI 53706 USA. [Chundawat, Shishir P. S.; Fox, Brian G.] DOE Great Lakes Bioenergy Res Ctr GLBRC, Madison, WI 53703 USA. [Chundawat, Shishir P. S.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. RP Chundawat, SPS (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48823 USA. EM chundawa@egr.msu.edu; bgfox@biochem.wisc.edu OI Chundawat, Shishir/0000-0003-3677-6735 FU United States DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC02-07ER64494] FX The authors thank Dr. Adam J. Book and Professor Cameron R. Currie for kindly providing the Streptomyces sp. SirexAA-E genomic DNA. We acknowledge various members of the Fox laboratory for providing useful inputs during the course of this project. This work was funded by the United States DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science DE-FC02-07ER64494). NR 25 TC 5 Z9 5 U1 0 U2 38 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 JUN PY 2014 VL 98 BP 1 EP 9 DI 10.1016/j.pep.2014.02.013 PG 9 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA AE6ZY UT WOS:000334147700001 PM 24607362 ER PT J AU Makrlik, E Toman, P Vanura, P Moyer, BA AF Makrlik, E. Toman, P. Vanura, P. Moyer, B. A. TI Calix[4]arene-bis(t-octylbenzo-18-crown-6) as an extraordinarily effective macrocyclic receptor for the univalent thallium cation SO STRUCTURAL CHEMISTRY LA English DT Article DE Thallium; Calix[4] arene-bis(t-octylbenzo-18-crown-6); Complexation; Extraction and stability constants; DFT calculations; Structures ID ACIDIC RADIOACTIVE-WASTE; EXTRACTION UNEX PROCESS; CESIUM NITRATE; PROBABLE STRUCTURE; PROTON COMPLEX; HYDRONIUM ION; NMR; VALINOMYCIN; 1,2-DICHLOROETHANE; 1,3-ALTERNATE AB From extraction experiments and -activity measurements, the exchange extraction constant corresponding to the equilibrium Tl+ (aq) + 1 center dot Cs+ (org) a double dagger" 1 center dot Tl+ (org) + Cs+ (aq) taking place in the two-phase water-phenyltrifluoromethyl sulfone (abbrev. FS 13) system (1 = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, org = FS 13 phase) was evaluated as log K (ex) (Tl+, 1 center dot Cs+) = 1.7 +/- A 0.1. Further, the extraordinarily high stability constant of the 1 center dot Tl+ complex in FS 13 saturated with water was calculated for a temperature of 25 A degrees C: log beta (org)(1 center dot Tl+) = 13.1 +/- A 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1 center dot Tl+ was derived. In the resulting 1 center dot Tl+ complex, the "central" cation Tl+ is bound by eight bond interactions to six oxygen atoms from the respective 18-crown-6 moiety and to two carbons of the corresponding two benzene rings of the parent receptor 1 via cation-pi interaction. C1 [Makrlik, E.] Czech Univ Life Sci, Fac Environm Sci, Prague 16521 6, Czech Republic. [Toman, P.] Acad Sci Czech Republic, Inst Macromol Chem, CR-16206 Prague 6, Czech Republic. [Vanura, P.] Inst Chem Technol, Dept Analyt Chem, CR-16628 Prague 6, Czech Republic. [Moyer, B. A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Makrlik, E (reprint author), Czech Univ Life Sci, Fac Environm Sci, Kamycka 129, Prague 16521 6, Czech Republic. EM makrlik@centrum.cz; toman@imc.cas.cz; petr.vanura@vscht.cz; moyerba@ornl.gov RI Toman, Petr/B-1834-2009; Moyer, Bruce/L-2744-2016 OI Moyer, Bruce/0000-0001-7484-6277 FU Grant Agency of Faculty of Environmental Sciences, Czech University of Life Sciences, Prague [42900/1312/3114]; Czech Ministry of Education, Youth, and Sports [MSM 6046137307]; Czech Science Foundation [P 205/10/2280]; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy FX This work was supported by the Grant Agency of Faculty of Environmental Sciences, Czech University of Life Sciences, Prague, Project No.: 42900/1312/3114 "Environmental Aspects of Sustainable Development of Society," by the Czech Ministry of Education, Youth, and Sports (Project MSM 6046137307), and by the Czech Science Foundation (Project P 205/10/2280). Finally, the participation of B. A. M. was sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. NR 40 TC 1 Z9 1 U1 0 U2 23 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1040-0400 EI 1572-9001 J9 STRUCT CHEM JI Struct. Chem. PD JUN PY 2014 VL 25 IS 3 BP 847 EP 852 DI 10.1007/s11224-013-0349-3 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Crystallography SC Chemistry; Crystallography GA AF2AJ UT WOS:000334514700016 ER PT J AU Jagiello, K Sosnowska, A Walker, S Haranczyk, M Gajewicz, A Kawai, T Suzuki, N Leszczynski, J Puzyn, T AF Jagiello, Karolina Sosnowska, Anita Walker, Sharnek Haranczyk, Maciej Gajewicz, Agnieszka Kawai, Toru Suzuki, Noriyuki Leszczynski, Jerzy Puzyn, Tomasz TI Direct QSPR: the most efficient way of predicting organic carbon/water partition coefficient (log K (OC)) for polyhalogenated POPs SO STRUCTURAL CHEMISTRY LA English DT Article DE Persistent organic pollutants; Organic carbon/water partition coefficient; QSPR; Quantum-mechanical descriptors ID INDIVIDUAL POLYCHLORINATED NAPHTHALENES; SOIL SORPTION COEFFICIENTS; ADSORPTION COEFFICIENT; RELATIVE POTENCIES; QSAR MODELS; POLLUTANTS; VALIDATION; DESCRIPTORS; CHEMICALS; SEDIMENTS AB The organic carbon/water partition coefficient (K (OC)) is one of the most important parameters describing partitioning of chemicals in soil/water system and measuring their relative potential mobility in soils. Because of a large number of possible compounds entering the environment, the experimental measurements of the soil sorption coefficient for all of them are virtually impossible. The alternative methods, such as quantitative structure-property relationship (QSPR techniques) have been applied to predict this important physical/chemical parameter. Most available QSPR models have been based on correlations with the n-octanol/water partition coefficient (K (OW)), which enforces the requirement to conduct experiments for obtaining the K (OW) values. In our study, we have developed a QSPR model that allows predicting logarithmic values of the organic carbon/water partition coefficient (log K (OC)) for 1,436 chlorinated and brominated congeners of persistent organic pollutants based on the computationally calculated descriptors. Appling such approach not only reduces time, cost, and the amount of waste but also allows obtaining more realistic results. C1 [Jagiello, Karolina; Sosnowska, Anita; Gajewicz, Agnieszka; Puzyn, Tomasz] Univ Gdansk, Fac Chem, Inst Environm & Human Hlth Protect, Lab Environm Chemometr, PL-80308 Gdansk, Poland. [Walker, Sharnek; Leszczynski, Jerzy] Jackson State Univ, Dept Chem & Biochem, Interdisciplinary Nanotox Ctr, Jackson, MS 39217 USA. [Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Kawai, Toru; Suzuki, Noriyuki] Natl Inst Environm Studies, Res Ctr Environm Risk, Exposure Assessment Res Sect, Tsukuba, Ibaraki 3058506, Japan. RP Puzyn, T (reprint author), Univ Gdansk, Fac Chem, Inst Environm & Human Hlth Protect, Lab Environm Chemometr, Ul Wita Stwosza 63, PL-80308 Gdansk, Poland. EM puzi@qsar.eu.org RI Haranczyk, Maciej/A-6380-2014; Suzuki, Norihiro/J-5125-2013; OI Haranczyk, Maciej/0000-0001-7146-9568; Suzuki, Norihiro/0000-0002-0399-6590; Puzyn, Tomasz/0000-0003-0449-8339 FU Japan Society for the Promotion of Science (JSPS); Polish Academy of Science (PAN) under the Bilateral Joint Research Project; JSPS [25871087]; Polish Ministry of Science and Higher Education [DS 530-8180-D202-3]; Foundation for Polish Science (FOCUS Programme); U. S. Department of Energy [DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy [DEAC02-05CH11231] FX This work was supported by Japan Society for the Promotion of Science (JSPS) and the Polish Academy of Science (PAN) under the Bilateral Joint Research Project, and by JSPS Grants-in-Aid for Young Scientists (B) No. 25871087. The authors (K. J., A. S., A. G. and T. P.) thank to the Polish Ministry of Science and Higher Education (grant no. DS 530-8180-D202-3) and the Foundation for Polish Science (FOCUS 2010 Programme) for the financial support. This research was supported in part (to M. H.) by the U. S. Department of Energy under contract DE-AC02-05CH11231. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DEAC02-05CH11231. NR 36 TC 6 Z9 6 U1 3 U2 44 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1040-0400 EI 1572-9001 J9 STRUCT CHEM JI Struct. Chem. PD JUN PY 2014 VL 25 IS 3 BP 997 EP 1004 DI 10.1007/s11224-014-0419-1 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Crystallography SC Chemistry; Crystallography GA AF2AJ UT WOS:000334514700032 ER PT J AU Fleming, I Luscher, DJ AF Fleming, Ian Luscher, D. J. TI A model for the structural dynamic response of the CX-100 wind turbine blade SO WIND ENERGY LA English DT Article DE CX-100; sectional analysis; geometrically exact beam theory; variational asymptotic method; wind turbine blade ID FINITE ROTATIONS; COMPOSITE BEAMS; 3D SIMULATION; INTERPOLATION; FORMULATION; ELEMENT; ROTORS; SPACE AB A geometrically exact beam model for simulating the structural dynamic response of the CX-100 wind turbine blade is presented. The underlying geometrically nonlinear theory is detailed, and its implementation into a finite-element code, NLBeam, developed as part of this research is outlined. The parameters used to represent the varying cross-sectional distributions of stiffness and mass are calculated consistent with the geometrically exact beam theory by using the variational asymptotic method, as developed by Hodges and Yu et al. through the commercially available code, (VABS) variational asymptotic beam sectional analysis. Code and calculation verification are documented through a systematic grid convergence study applied independently to both the cross-sectional, and static and dynamic beam simulations. An initial assessment of the model is made by comparing simulation results with experimental test data for three cases: quasistatic loading, linearized modal dynamic behavior and steady-state oscillating dynamic loads. Simulation results are shown to be in reasonable agreement with experimental data. Future improvements to the model, as well as additional experimental characterization that can benefit such modeling efforts, are outlined. Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Fleming, Ian; Luscher, D. J.] Los Alamos Natl Lab, Div Theoret, Fluid Dynam & Solid Mech Grp, Los Alamos, NM 87544 USA. RP Luscher, DJ (reprint author), Los Alamos Natl Lab, MS B216,POB 1663, Los Alamos, NM 87544 USA. EM djl@lanl.gov FU Laboratory Directed Research and Development (LDRD) project FX The authors gratefully recognize the support of the Laboratory Directed Research and Development (LDRD) project entitled intelligent Wind Turbines' at LANL under the technical leadership of principal investigator Dr Curtt Ammerman. Gretchen Ellis provided design drawings, geometric models and material layup schedules of the CX-100 blade. The authors also acknowledge Stuart Taylor for providing detailed explanations of the experimental data collected at NWTC during the joint NREL/LANL fatigue test, and Dr Francois Hemez for providing the ERA code. The authors express their gratitude for the support of ProfessorWenbin Yu who provided access to VABS and guidance with respect to the use of the program. Feedback from the reviewers that has led to improved clarity in the presentation of this work is appreciated. NR 61 TC 5 Z9 6 U1 2 U2 26 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1095-4244 EI 1099-1824 J9 WIND ENERGY JI Wind Energy PD JUN PY 2014 VL 17 IS 6 BP 877 EP 900 DI 10.1002/we.1603 PG 24 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA AE6PZ UT WOS:000334117300006 ER PT J AU Canfield, JM Linn, RR Sauer, JA Finney, M Forthofer, J AF Canfield, J. M. Linn, R. R. Sauer, J. A. Finney, M. Forthofer, Jason TI A numerical investigation of the interplay between fireline length, geometry, and rate of spread SO AGRICULTURAL AND FOREST METEOROLOGY LA English DT Article DE Fire; Fireline; Wildfire; Spread; Vorticity; Vortex ID DISCRETE FUEL-ELEMENTS; MODELING FOREST-FIRES; WIND-AIDED FIRESPREAD; POISEUILLE FLOW; BED; PROPAGATION; CONVECTION; GRASSLANDS; ARRAYS; PLATES AB The current study focuses on coupled dynamics and resultant geometry of fireline segments of various ignition lengths. As an example, for ignition lines of length scales typical for field experiments, fireline curvature is the result of a competition between the head fire and the flanks of the fire. A number of physical features (i.e. buoyancy and wind field divergence for example) arise in and around an incipient fire that defines the shape and spreading pattern of the flame zone. These features are explored using a numerical atmospheric dynamics model HIGRAD, and wildfire combustion physics model FIRETEC. HIGRAD/FIRETEC was designed to investigate wildfires and their interactions with the environment. In this study, the model was used to simulate grass fires that were initiated with a finite length, straight ignition line in homogeneous fuels. The dynamic evolutions of these firelines were analyzed to understand the individual events that evolve a wildfire. By understanding each individual process and how it interacts with other processes, information can be extracted to develop a theory about the mechanisms that combine to produce the observed wildfire behavior. In the current study, the flow field in the region of the simulated fires developed structures consistent with multiple buoyancy-induced vortex pairs. The series of stream-wise vortex pairs produce a regular alternating pattern of up-wash and down-wash zones, which allow air to penetrate the flame zone through troughs created in downwash regions. Consequently, this periodicity in the flow field within the fire resulted in a pattern of residual combustion where prolonged burning occurred in the up-wash zones separated by near-complete fuel depletion in the downwash zones. Some explanation is provided for why increased ignition line length leads to increased rate of spread (ROS) with some asymptotic limit. Published by Elsevier B.V. C1 [Canfield, J. M.; Linn, R. R.; Sauer, J. A.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Finney, M.; Forthofer, Jason] US Forest Serv, Fire Lab, USDA, Missoula, MT 59808 USA. RP Canfield, JM (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM jessec@lanl.gov FU Rocky Mountain Research Station, USDA Forest Service; LANL ICN; Kitware FX We thank Kevin Heirs and the Joseph W. Jones Ecological Research Center at Ichauway in addition to Caroline Sieg and the Rocky Mountain Research Station, USDA Forest Service for funding this research via resources from the National Fire Plan. All computations were performed through the Los Alamos National Laboratory Institutional Computing Center (LANL ICN). Simulated fire visualizations were created using ParaView visualization software, maintained by Kitware. Many thanks go to LANL ICN and Kitware for the resources and support provided for this work. We also thank Philip Cunningham for many valuable discussions into the details of vorticity and the role that it plays in wildfire behavior. NR 42 TC 1 Z9 1 U1 3 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1923 EI 1873-2240 J9 AGR FOREST METEOROL JI Agric. For. Meteorol. PD JUN 1 PY 2014 VL 189 BP 48 EP 59 DI 10.1016/j.agrformet.2014.01.007 PG 12 WC Agronomy; Forestry; Meteorology & Atmospheric Sciences SC Agriculture; Forestry; Meteorology & Atmospheric Sciences GA AE3BW UT WOS:000333852900007 ER PT J AU Xiao, JF Davis, KJ Urban, NM Keller, K AF Xiao, Jingfeng Davis, Kenneth J. Urban, Nathan M. Keller, Klaus TI Uncertainty in model parameters and regional carbon fluxes: A model-data fusion approach SO AGRICULTURAL AND FOREST METEOROLOGY LA English DT Article DE Uncertainty; Model-data fusion; Data assimilation; Ecosystem model; Carbon cycle; Light use efficiency ID NET PRIMARY PRODUCTIVITY; NORTHERN WISCONSIN; ECOSYSTEM MODELS; DIOXIDE FLUXES; UNITED-STATES; UPPER MIDWEST; FOREST; EXCHANGE; CLIMATE; USA AB Models have been widely used to estimate carbon fluxes at regional scales, and the uncertainty of modeled fluxes, however, has rarely been quantified and remains a challenge. A quantitative uncertainty assessment of regional flux estimates is essential for better understanding of terrestrial carbon dynamics and informing carbon and climate decision-making. We use a simple ecosystem model, eddy covariance (EC) flux observations, and a model-data fusion approach to assess the uncertainty of regional carbon flux estimates for the Upper Midwest region of northern Wisconsin and Michigan, USA. We combine net ecosystem exchange (NEE) observations and an adaptive Markov chain Monte Carlo (MCMC) approach to quantify the parameter uncertainty of the Diagnostic Carbon Flux Model (DCFM). Our MCMC approach eliminates the need for an initial equilibration or "burn-in" phase of the random walk, and also improves the performance of the algorithm for parameter optimization. For each plant functional type (PFT), we use NEE observations from multiple EC sites to estimate parameters, and the resulting parameter estimates are more representative of the PFT than estimates based on observations from a single site. A probability density function (PDF) is generated for each parameter, and the spread of the PDF provides an estimate of parameter uncertainty. We then apply the model with parameter PDFs to estimate NEE for each grid cell across our study region, and propagate the parameter uncertainty through simulations to produce probabilistic flux estimates. Over the period from 2001 to 2007, the mean annual NEE of the region was estimated to be -30.0 Tg C yr(-1), and the associated uncertainty as measured by standard deviation was +/- 7.6 Tg C yr(-1). Uncertainty in parameters can lead to a large uncertainty to estimates of regional carbon fluxes, and our model-data approach can provide uncertainty bounds to regional carbon fluxes. Future research is needed to apply our approach to more complex ecosystem models, assess the usefulness, validity, and alternatives of the PFT and vegetation type concepts, and to fully quantify the uncertainty of regional carbon fluxes by incorporating other sources of uncertainty. (C) 2014 Elsevier B.V. All rights reserved. C1 [Xiao, Jingfeng] Univ New Hampshire, Inst Study Earth Oceans & Space, Earth Syst Res Ctr, Durham, NH 03824 USA. [Davis, Kenneth J.] Penn State Univ, Dept Meteorol, University Pk, PA 16802 USA. [Urban, Nathan M.; Keller, Klaus] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. [Urban, Nathan M.] Los Alamos Natl Lab, Energy Secur Ctr, Los Alamos, NM USA. [Keller, Klaus] Penn State Univ, Earth & Environm Syst Inst, University Pk, PA 16802 USA. RP Xiao, JF (reprint author), Univ New Hampshire, Inst Study Earth Oceans & Space, Earth Syst Res Ctr, Durham, NH 03824 USA. EM j.xiao@unh.edu RI Keller, Klaus/A-6742-2013 FU National Aeronautics and Space Administration (NASA) Terrestrial Ecology Program; National Science Foundation (NSF) through Macro Systems Biology program [1065777]; Department of Energy's Office of Biological and Environmental Research, Terrestrial Carbon Program; National Institute for Climatic Change Research (NICCR) FX This study was supported by the National Aeronautics and Space Administration (NASA) Terrestrial Ecology Program, the National Science Foundation (NSF) through the Macro Systems Biology program (award number: 1065777), and the Department of Energy's Office of Biological and Environmental Research, Terrestrial Carbon Program and National Institute for Climatic Change Research (NICCR). We thank K. Cherrey, A. Desai, P. Curtis, J. Chen, A. Noormets, N. Saliendra, and other research personnel for contributions to the flux observations and site biomass data used in this study. We thank the anonymous reviewers for their constructive comments on the manuscript. NR 63 TC 14 Z9 14 U1 1 U2 51 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1923 EI 1873-2240 J9 AGR FOREST METEOROL JI Agric. For. Meteorol. PD JUN 1 PY 2014 VL 189 BP 175 EP 186 DI 10.1016/j.agrformet.2014.01.022 PG 12 WC Agronomy; Forestry; Meteorology & Atmospheric Sciences SC Agriculture; Forestry; Meteorology & Atmospheric Sciences GA AE3BW UT WOS:000333852900019 ER PT J AU Wang, Y Gao, XF Qian, HJ Ohta, Y Wu, XN Eres, G Morokuma, K Irle, S AF Wang, Ying Gao, Xingfa Qian, Hu-Jun Ohta, Yasuhito Wu, Xiaona Eres, Gyula Morokuma, Keiji Irle, Stephan TI Quantum chemical simulations reveal acetylene-based growth mechanisms in the chemical vapor deposition synthesis of carbon nanotubes SO CARBON LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; POLYCYCLIC AROMATIC-HYDROCARBONS; CATALYTIC GROWTH; LOW-TEMPERATURE; IN-SITU; COMBUSTION SYNTHESIS; IRON CLUSTER; AB-INITIO; SINGLE; NANOPARTICLES AB Nonequilibrium quantum chemical molecular dynamics (QM/MDs) simulation of early stages in the nucleation process of carbon nanotubes from acetylene feedstock on an Fe-38 cluster was performed based on the density-functional tight-binding (DFTB) potential. Representative chemical reactions were studied by complimentary static DFTB and density functional theory (DFT) calculations. Oligomerization and cross-linking reactions between carbon chains were found as the main reaction pathways similar to that suggested in previous experimental work. The calculations highlight the inhibiting effect of hydrogen for the condensation of carbon ring networks, and a propensity for hydrogen disproportionation, thus enriching the hydrogen content in already hydrogen-rich species and abstracting hydrogen content in already hydrogen-deficient clusters. The ethynyl radical C2H was found as a reactive, yet continually regenerated species, facilitating hydrogen transfer reactions across the hydrocarbon clusters. The nonequilibrium QM/MD simulations show the prevalence of a pentagon-first nucleation mechanism where hydrogen may take the role of one "arm" of an sp(2) carbon Y-junction. The results challenge the importance of the metal carbide formation for SWCNT cap nucleation in the VLS model and suggest possible alternative routes following hydrogen-abstraction acetylene addition (HACA)-like mechanisms commonly discussed in combustion synthesis. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Wang, Ying; Wu, Xiaona; Irle, Stephan] Nagoya Univ, Grad Sch Sci, WPI Inst Transforrnat Biomol, Nagoya, Aichi 4648602, Japan. [Wang, Ying; Wu, Xiaona; Irle, Stephan] Nagoya Univ, Grad Sch Sci, Dept Chem, Nagoya, Aichi 4648602, Japan. [Wang, Ying] Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Rare Earth Resource Utilizat, Changchun 130022, Peoples R China. [Gao, Xingfa] Chinese Acad Sci, Inst High Energy Phys, Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100049, Peoples R China. [Qian, Hu-Jun] Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China. [Ohta, Yasuhito; Morokuma, Keiji] Kyoto Univ, Fukui Inst Fundamental Chem, Kyoto 6068103, Japan. [Eres, Gyula] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Morokuma, Keiji] Emory Univ, Cherry L Emerson Ctr Sci Computat, Atlanta, GA 30322 USA. [Morokuma, Keiji] Emory Univ, Dept Chem, Atlanta, GA 30322 USA. RP Morokuma, K (reprint author), Kyoto Univ, Fukui Inst Fundamental Chem, Kyoto 6068103, Japan. EM keiji.morokuma@emory.edu; sirle@chem.nagoya-u.ac.jp RI Gao, Xingfa/E-5691-2010; Qian, Hu-Jun/A-1683-2009; Irle, Stephan/E-8984-2011; Eres, Gyula/C-4656-2017 OI Gao, Xingfa/0000-0002-1636-6336; Qian, Hu-Jun/0000-0001-8149-8776; Irle, Stephan/0000-0003-4995-4991; Eres, Gyula/0000-0003-2690-5214 FU CREST (Core Research for Evolutional Science and Technology) from JST; National Youth Fund [21203174]; MOST 973 program of China [2012CB934001]; Materials Sciences and Engineering Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This work was in part supported by CREST (Core Research for Evolutional Science and Technology) grants in the areas of 1) High Performance Computing for Multiscale and Multiphysics Phenomena and 2) of Synthesis and Novel Functions of Soft pi-materials from JST. Y.W. acknowledges the support of the National Youth Fund (No. 21203174). X.G. acknowledges support by MOST 973 program of China (2012CB934001). The work at Oak Ridge National Laboratory (G.E.) was sponsored by the Materials Sciences and Engineering Division, Office of Basic Energy Sciences, U.S. Department of Energy. The simulations were performed in part using a generous computer time allocation at the Research Center for Computational Science (RCCS), Institute for Molecular Science (IMS), Okazaki. NR 97 TC 17 Z9 17 U1 7 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 JUN PY 2014 VL 72 BP 22 EP 37 DI 10.1016/j.carbon.2014.01.020 PG 16 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AE5EM UT WOS:000334010600004 ER PT J AU Gallego, NC Contescu, CI Meyer, HM Howe, JY Meisner, RA Payzant, EA Lance, MJ Yoon, SY Denlinger, M Wood, DL AF Gallego, Nidia C. Contescu, Cristian I. Meyer, Harry M., III Howe, Jane Y. Meisner, Roberta A. Payzant, E. Andrew Lance, Michael J. Yoon, Sang Y. Denlinger, Matthew Wood, David L., III TI Advanced surface and microstructural characterization of natural graphite anodes for lithium ion batteries SO CARBON LA English DT Article ID RHOMBOHEDRAL PHASE; INTERCALATION; CHEMISTRY; INSERTION; CAPACITY; PERFORMANCE; MORPHOLOGY; CARBONS AB Natural graphite powders were subjected to a series Of thermal treatments to improve the anode irreversible capacity loss and capacity retention during long-term cycling of lithiumion batteries. A baseline thermal treatment in inert Ar or N-2 atmosphere was compared to cases with a proprietary additive to the furnace gas. This additive substantially altered the surface chemistry of the uncoated natural graphite powders and resulted in significantly improved long-term cycling performance of the lithium ion batteries over the commercial, carbon-coated natural graphite baseline. Different heat-treatment temperatures were investigated ranging from 950 to 2900 degrees C to achieve the desired long-term cycling performance with a significantly reduced thermal budget. A detailed summary of the characterization data is also presented, which includes X-ray diffraction, X-ray photoelectron spectroscopy, Raman spectroscopy, and temperature-programmed desorption-mass spectroscopy. Characterization data was correlated to the observed capacity fade improvements over the course of long-term cycling at high charge discharge rates in full lithium-ion cells. It is believed that the long-term performance improvements are a result of forming a more stable solid electrolyte interface (SEI) layer on the anode graphite surfaces, which is directly related to the surface chemistry modifications imparted by the proprietary gas environment during thermal treatment. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Gallego, Nidia C.; Contescu, Cristian I.; Meyer, Harry M., III; Howe, Jane Y.; Payzant, E. Andrew; Lance, Michael J.; Wood, David L., III] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Meisner, Roberta A.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Yoon, Sang Y.; Denlinger, Matthew] A123 Syst Inc, Waltham, MA 02451 USA. RP Wood, DL (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, One Bethel Valley Rd,POB 2008, Oak Ridge, TN 37831 USA. EM wooddl@ornl.gov RI Payzant, Edward/B-5449-2009; Lance, Michael/I-8417-2016; OI Payzant, Edward/0000-0002-3447-2060; Lance, Michael/0000-0001-5167-5452; Contescu, Cristian/0000-0002-7450-3722; Wood, David/0000-0002-2471-4214; Gallego, Nidia/0000-0002-8252-0194 FU U.S. Department of Energy (DOE) [DE-AC05-00OR22725]; Office of Energy Efficiency and Renewable Energy (EERE) Advanced Manufacturing Office; Vehicle Technologies Office (VTO); A123 Systems, Inc. under Cooperative Research and Development Agreement (CRADA) [NFE-10-02757]; Office of Basic Energy Sciences, U.S. DOE FX This research at Oak Ridge National Laboratory, managed by UT Battelle, LLC, for the U.S. Department of Energy (DOE) under contract DE-AC05-00OR22725, was sponsored by the Office of Energy Efficiency and Renewable Energy (EERE) Advanced Manufacturing Office (Program Manager: Steve Sikirica) and Vehicle Technologies Office (VTO) (Program Manager: David Howell). The work was also sponsored by A123 Systems, Inc. under Cooperative Research and Development Agreement (CRADA) NFE-10-02757. SEM analysis was carried out at ORNL's Center for Nanophase Materials Science (CNMS) User Facility, sponsored by the Office of Basic Energy Sciences, U.S. DOE. The authors would also like to thank Mike Wixom and Claus Daniel for helpful discussions throughout the course of this research project. NR 24 TC 10 Z9 10 U1 7 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 JUN PY 2014 VL 72 BP 393 EP 401 DI 10.1016/j.carbon.2014.02.031 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AE5EM UT WOS:000334010600046 ER PT J AU Liu, YP Peng, JH Kansha, Y Ishizuka, M Tsutsumi, A Jia, DN Bi, XTT Lim, CJ Sokhansanj, S AF Liu, Yuping Peng, Jianghong Kansha, Yasuki Ishizuka, Masanori Tsutsumi, Atsushi Jia, Dening Bi, Xiaotao T. Lim, C. J. Sokhansanj, Shahab TI Novel fluidized bed dryer for biomass drying SO FUEL PROCESSING TECHNOLOGY LA English DT Article DE Biomass; Fluidization; Drying; Solid circulation; Moisture content ID SCREW CONVEYOR DRYER; PARTICLES; MOISTURE; BEHAVIOR; SAWDUST; SOLIDS AB Biomass drying is performed mainly in rotary dryers, which occupy a large footprint. To explore the efficient drying of biomass, a fluidized bed dryer was proposed. Good circulation of biomass particles could be established in the fluidized bed without the use of inert particle or mechanical aids. The initial moisture content of the input sawdust affected its fluidization performance. For the drying of sawdust of high-moisture content, the fluidization behavior could be divided into three stages: partial fluidization, full fluidization with increasing drying rate, and full fluidization with decreasing drying rate. A high drying rate could be achieved because of the fast mass and heat transfer rate in the fluidized bed. The fluidized bed dryer has a drying performance similar to the binary mixture fluidized bed dryer but more compact, and requires no separation of dried biomass particles from the inert bed particles. (C) 2014 Elsevier B.V. All rights reserved. C1 [Liu, Yuping; Kansha, Yasuki; Ishizuka, Masanori; Tsutsumi, Atsushi] Univ Tokyo, Inst Ind Sci, Collaborat Res Ctr Energy Engn, Meguro Ku, Tokyo 1538505, Japan. [Peng, Jianghong; Jia, Dening; Bi, Xiaotao T.; Lim, C. J.; Sokhansanj, Shahab] Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada. [Sokhansanj, Shahab] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Tsutsumi, A (reprint author), Univ Tokyo, Inst Ind Sci, Collaborat Res Ctr Energy Engn, Meguro Ku, 4-6-1 Komaba, Tokyo 1538505, Japan. EM a-tsu2mi@iis.u-tokyo.ac.jp RI Tsutsumi, Atsushi/K-8988-2012; OI Tsutsumi, Atsushi/0000-0001-9679-4383; Jia, Dening/0000-0001-7515-5400 FU JST-NSERC FX The authors are grateful for the financial support provided by the Japanese-Canadian (JST-NSERC) Research Cooperative Program as part of the FY 2012 Strategic International Research Cooperative Program. The authors also thank Dr. Hui Li from the Hunan Academy of Forestry for his valuable discussion during the paper preparation. NR 27 TC 7 Z9 7 U1 1 U2 21 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 JUN PY 2014 VL 122 BP 170 EP 175 DI 10.1016/j.fuproc.2014.01.036 PG 6 WC Chemistry, Applied; Energy & Fuels; Engineering, Chemical SC Chemistry; Energy & Fuels; Engineering GA AE5AH UT WOS:000333999700019 ER PT J AU Dickson, J Zhou, L Puente, APY Fu, M Keiser, DD Sohn, YH AF Dickson, J. Zhou, L. Paz y Puente, A. Fu, M. Keiser, D. D., Jr. Sohn, Y. H. TI Interdiffusion and reaction between Zr and Al alloys from 425 degrees to 625 degrees C SO INTERMETALLICS LA English DT Article DE Diffusion; Aluminides, miscellaneous; Silicides, various; Electron microscopy, transmission ID DIFFUSION BARRIER; FUEL AB Zirconium has recently garnered attention for use as a diffusion barrier between U-Mo nuclear fuels and Al cladding alloys. Interdiffusion and reactions between Zr and Al, Al-2 wt.% Si, Al-5 wt.% Si or AA6061 were investigated using solid-to-solid diffusion couples annealed in the temperature range of 425 degrees to 625 degrees C. In the binary Al and Zr system, the Al3Zr and Al2Zr phases were identified, and the activation energy for the growth of the Al3Zr phase was determined to be 347 kJ/mol. Negligible diffusional interactions were observed for diffusion couples between Zr vs. Al-2 wt.% Si, Al-5 wt.% Si and AA6061 annealed at or below 475 degrees C. In diffusion couples with the binary Al-Si alloys at 560 degrees C, a significant variation in the development of the phase constituents was observed including the thick tau(1) (Al5SiZr2) with Si content up to 12 at.%, and thin layers of (Si,Al)(2)Zr, (Al,Si)(3)Zr, Al3SiZr2 and Al2Zr phases. The use of AA6061 as a terminal alloy resulted in the development of both tau(1) (Al5SiZr2) and (Al,Si)(3)Zr phases with a very thin layer of (Al,Si)(2)Zr. At 560 degrees C, with increasing Si content in the Al-Si alloy, an increase in the overall rate of diffusional interaction was observed; however, the diffusional interaction of Zr in contact with multicomponent AA6061 with 0.4-0.8 wt.% Si was most rapid. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Dickson, J.; Zhou, L.; Paz y Puente, A.; Fu, M.; Sohn, Y. H.] Univ Cent Florida, Adv Mat Proc & Anal Ctr, Dept Mat Sci & Engn, Orlando, FL 32816 USA. [Keiser, D. D., Jr.] Idaho Natl Lab, Nucl Fuels & Mat Div, Idaho Falls, ID 83415 USA. RP Sohn, YH (reprint author), Univ Cent Florida, Adv Mat Proc & Anal Ctr, Dept Mat Sci & Engn, Orlando, FL 32816 USA. EM Yongho.Sohn@ucf.edu RI Sohn, Yongho/A-8517-2010; Paz y Puente, Ashley/M-2022-2015; Zhou, Le/H-9531-2016 OI Sohn, Yongho/0000-0003-3723-4743; Paz y Puente, Ashley/0000-0001-7108-7164; Zhou, Le/0000-0001-8327-6667 FU U.S. Department of Energy, Office of Nuclear Materials Threat Reduction [NA-212]; National Nuclear Security Administration under DOE-NE Idaho Operations Office [DE-AC07-05ID14517] FX This work was supported by the U.S. Department of Energy, Office of Nuclear Materials Threat Reduction (NA-212), National Nuclear Security Administration, under DOE-NE Idaho Operations Office Contract DE-AC07-05ID14517. Accordingly, the U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution or to allow others to do so, for U.S. Government purposes. NR 16 TC 5 Z9 5 U1 0 U2 21 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0966-9795 EI 1879-0216 J9 INTERMETALLICS JI Intermetallics PD JUN PY 2014 VL 49 BP 154 EP 162 DI 10.1016/j.intermet.2013.12.012 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA AE6FK UT WOS:000334085800023 ER PT J AU Therkelsen, P Masanet, E Worrell, E AF Therkelsen, Peter Masanet, Eric Worrell, Ernst TI Energy efficiency opportunities in the US commercial baking industry SO JOURNAL OF FOOD ENGINEERING LA English DT Article DE Commercial baking; Energy efficiency; Energy; Food processing; Energy management systems ID STEAM AB Commercial bakery products in the United States such as breads, rolls, frozen, cakes, pies, pastries, cookies, and crackers consume over $870 million of energy annually. Energy efficiency measures can reduce the energy costs of significant energy processes and increase earnings predictability. This article summarizes key energy efficiency measures relevant to industrial baking. Case study data from bakeries and related facilities worldwide are used to identify savings and cost metrics associated with efficiency measures. While the focus of this paper is on U.S. bakeries, findings can be generalized to bakeries internationally. A discussion of energy management systems is provided and how energy efficiency measures savings can be sustained. Energy and plant managers at bakeries can use this information to cost-effectively reduce energy consumption while utilities and policy makers can apply the findings to energy efficiency program design. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Therkelsen, Peter] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Masanet, Eric] Northwestern Univ, McCormick Sch Engn & Appl Sci, Evanston, IL USA. [Worrell, Ernst] Univ Utrecht, Copernicus Inst Sustainable Dev, Utrecht, Netherlands. RP Therkelsen, P (reprint author), One Cyclotron Rd,MS 70-108B, Berkeley, CA 94720 USA. EM ptherkelsen@lbl.gov RI Masanet, Eric /I-5649-2012 FU Climate Protection Partnerships Division of the U.S. Environmental Protection Agency as part of its ENERGY STAR program through the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Climate Protection Partnerships Division of the U.S. Environmental Protection Agency as part of its ENERGY STAR program through the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 45 TC 8 Z9 8 U1 1 U2 27 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0260-8774 EI 1873-5770 J9 J FOOD ENG JI J. Food Eng. PD JUN PY 2014 VL 130 BP 14 EP 22 DI 10.1016/j.jfoodeng.2014.01.004 PG 9 WC Engineering, Chemical; Food Science & Technology SC Engineering; Food Science & Technology GA AE5BB UT WOS:000334001700003 ER PT J AU Choi, JW Kim, HJ Kim, KH Scholl, A Chang, J AF Choi, Jun Woo Kim, Hyung-jun Kim, Kyung-Ho Scholl, Andreas Chang, Joonyeon TI Uniaxial magnetic anisotropy in epitaxial Fe/MgO films on GaAs(001) SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE Magnetic anisotropy; Fe/MgO/GaAs ID FE AB Magnetic and structural properties of Fe films grown on MgO buffered GaAs(001) substrates were investigated. Structural analysis using a transmission electron microscope shows that the Fe/MgO/GaAs system is fully cpitaxial when MgO is grown at high temperature (similar to 350 degrees C). A two fold uniaxial magnetic anisotropy along the Fe[1001//GaAs/110] was found for the epitaxial Fe/MgO/GaAs system using magnetic hysteresis loop measurements and magnetic domain imaging. However Fe grown on room temperature deposited MgO shows amorphous island morphology with discrete boundary, and no magnetic anisotropy was found. (C) 2014 Elsevier B.V. All rights reserved. C1 [Choi, Jun Woo; Kim, Hyung-jun; Kim, Kyung-Ho; Chang, Joonyeon] Korea Inst Sci & Technol, Spin Convergence Res Ctr, Seoul 136791, South Korea. [Scholl, Andreas] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Kim, HJ (reprint author), Korea Inst Sci & Technol, Spin Convergence Res Ctr, Seoul 136791, South Korea. EM mbeqd@kist.re.kr RI Kim, KyungHo/L-4523-2013; Scholl, Andreas/K-4876-2012 OI Kim, KyungHo/0000-0001-5564-7088; FU KIST Institutional Program [2E23790, 2E24002, 2V02720]; National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST) [2012-0005631]; IT RD program [10043398]; MOTIE/KEIT; Pioneer Research Center Program of the MSIP/NRF [20110027905]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-ACO2-05CH11231] FX This work was supported by the KIST Institutional Program (2E23790, 2E24002, and 2V02720), the National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST) (No. 2012-0005631), the IT R&D program (10043398) of the MOTIE/KEIT, and the Pioneer Research Center Program (20110027905) of the MSIP/NRF. 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-ACO2-05CH11231. NR 20 TC 4 Z9 4 U1 2 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 EI 1873-4766 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD JUN PY 2014 VL 360 BP 109 EP 112 DI 10.1016/j.jmmm.2014.02.022 PG 4 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA AE2MP UT WOS:000333807500019 ER PT J AU Mamontov, E O'Neill, H AF Mamontov, Eugene O'Neill, Hugh TI Reentrant Condensation of Lysozyme: Implications for Studying Dynamics of Lysozyme in Aqueous Solutions of Lithium Chloride SO BIOPOLYMERS LA English DT Article DE protein; water; solution; freezing; neutron scattering ID NEUTRON SPIN-ECHO; ENZYME-ACTIVITY; PROTEIN HYDRATION; WATER; TRANSITION; LICL; SCATTERING; TEMPERATURES; CROSSOVER; MATRICES AB Recent studies have outlined the use of eutectic solutions of lithium chloride in water to study microscopic dynamics of lysozyme in an aqueous solvent that is remarkably similar to pure water in many respects, yet allows experiments over a wide temperature range without solvent crystallization. The eutectic point in a (H2O)(R)(LiCl) system corresponds to R approximate to 7.3, and it is of interest to investigate whether less-concentrated aqueous solutions of LiCl could be used in low-temperature studies of a solvated protein. We have investigated a range of concentrations of lysozyme and LiCl in aqueous solutions to identify systems that do not show phase separation and avoid solvent crystallization on cooling down. Compared to the lysozyme concentration in solution, the concentration of LiCl in the aqueous solvent plays the major role in determining systems suitable for low-temperature studies. We have observed interesting and rich phase behavior reminiscent of reentrant condensation of proteins. (c) 2013 Wiley Periodicals, Inc. Biopolymers 101: 624-629, 2014. C1 [Mamontov, Eugene] Oak Ridge Natl Lab, Chem & Engn Mat Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA. [O'Neill, Hugh] Oak Ridge Natl Lab, Biol & Soft Matter Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA. RP Mamontov, E (reprint author), Oak Ridge Natl Lab, Chem & Engn Mat Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA. EM mamontove@ornl.gov RI Mamontov, Eugene/Q-1003-2015; OI Mamontov, Eugene/0000-0002-5684-2675; O'Neill, Hugh/0000-0003-2966-5527 FU ORNL's Center for Structural Molecular Biology, Office of Biological and Environmental Research, US DOE [ERKP291]; ORNL, UTBattelle, LLC, US DOE [DE-AC05-00OR22725] FX Contract grant sponsor: ORNL's Center for Structural Molecular Biology, Office of Biological and Environmental Research, US DOE; Contract grant number: ERKP291; Contract grant sponsor: ORNL, UTBattelle, LLC, US DOE; Contract grant number: DE-AC05-00OR22725 NR 34 TC 1 Z9 1 U1 0 U2 14 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0006-3525 EI 1097-0282 J9 BIOPOLYMERS JI Biopolymers PD JUN PY 2014 VL 101 IS 6 BP 624 EP 629 DI 10.1002/bip.22430 PG 6 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA AD6QG UT WOS:000333385300006 PM 26819974 ER PT J AU Ebin, B Battaglia, V Gurmen, S AF Ebin, Burcak Battaglia, Vincent Gurmen, Sebahattin TI Comparison of 4 V and 3 V electrochemical properties of nanocrystalline LiMn2O4 cathode particles in lithium ion batteries prepared by ultrasonic spray pyrolysis SO CERAMICS INTERNATIONAL LA English DT Article DE Spinel; Nanostructure; Cathode materials; Li-ion batteries; Ultrasonic spray pyrolysis ID SPINEL LIMN2O4; COMBUSTION SYNTHESIS; CYCLING STABILITY; CAPACITY AB Nanocrystalline LiMn2O4 particles were prepared by an ultrasonic spray pyrolysis method using nitrate salts at 800 degrees C in air atmosphere. Particle properties were characterized by the X-ray diffraction, scanning electron microscopy, energy dispersive spectroscopy. In addition, cyclic voltammetry and galvanostatic tests were performed to investigate the effects of structure on electrochemical behavior of both the 4 V and 3 V potential plateaus. Particle characterization studies show that the nanocrystalline particles have spinel structure of submicron size with spherical morphology. Particles, ranging between 75 and 1250 nm, were formed by aggregation of nanoparticles. Discharge capacity of LiMn2O4 particles between 3.0 and 4.5 V is 70 mA h g(-1) and cumulative capacity between 2.2 and 4.5 V is 111 mA h g(-1) at 0.5 C rate. Discharge capacity at the 4 V potential region reduces to 47% of initial capacity, whereas cumulative capacity fade is 62% after 100 cycles at 0.5 C rate. Although nanocrystalline LiMn2O4 cathode particles exhibit good rate capability at the 4 V plateau, capacity decreased rapidly by increasing C-rates and cycling between 2.2 and 4.5 V. The loss of capacity can be attributed to phase transformation and dissolution of electrode material. Particle characterization of used cathodes showed that nanocrystalline LiMn2O4 electrodes partly dissolve during electrochemical cycling. (C) 2013 Elsevier Ltd and Techna Group S.r.l. All rights reserved. C1 [Ebin, Burcak; Gurmen, Sebahattin] Istanbul Tech Univ, Dept Met & Mat Engn, TR-34469 Istanbul, Turkey. [Ebin, Burcak; Battaglia, Vincent] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94700 USA. RP Gurmen, S (reprint author), Istanbul Tech Univ, Dept Met & Mat Engn, Ayazaga Campus, TR-34469 Istanbul, Turkey. EM gurmen@itu.edu.tr OI Ebin, Burcak/0000-0002-0737-0835 FU Istanbul Technical University Research Fund (ITU-BAP) FX This research was supported by Istanbul Technical University Research Fund (ITU-BAP). Authors also thank Prof. Dr. Gultekin Goner and Technician Huseyin Sezer for SEM characterizations. NR 25 TC 6 Z9 9 U1 3 U2 50 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0272-8842 EI 1873-3956 J9 CERAM INT JI Ceram. Int. PD JUN PY 2014 VL 40 IS 5 BP 7029 EP 7035 DI 10.1016/j.ceramint.2013.12.032 PG 7 WC Materials Science, Ceramics SC Materials Science GA AD8AE UT WOS:000333488100080 ER PT J AU Sagert, I Bauer, W Colbry, D Howell, J Pickett, R Staber, A Strother, T AF Sagert, Irina Bauer, Wolfgang Colbry, Dirk Howell, Jim Pickett, Rodney Staber, Alec Strother, Terrance TI Hydrodynamic shock wave studies within a kinetic Monte Carlo approach SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Kinetic simulation; Monte Carlo; Shock waves; Fluid dynamics; Non-equilibrium ID CORE-COLLAPSE SUPERNOVAE; HEAVY-ION COLLISIONS; CONSISTENT BOLTZMANN ALGORITHM; CIRCLE-DOT STAR; RADIATION HYDRODYNAMICS; MOLECULAR-DYNAMICS; NUCLEAR COLLISIONS; NEUTRINO TRANSPORT; NAVIER-STOKES; BGK EQUATION AB We introduce a massively parallelized test-particle based kinetic Monte Carlo code that is capable of modeling the phase space evolution of an arbitrarily sized system that is free to move in and out of the continuum limit. Our code combines advantages of the DSMC and the Point of Closest Approach techniques for solving the collision integral. With that, it achieves high spatial accuracy in simulations of large particle systems while maintaining computational feasibility. Using particle mean free paths which are small with respect to the characteristic length scale of the simulated system, we reproduce hydrodynamic behavior. To demonstrate that our code can retrieve continuum solutions, we perform a test-suite of classic hydrodynamic shock problems consisting of the Sod, the Noh, and the Sedov tests. We find that the results of our simulations which apply millions of test-particles match the analytic solutions well. In addition, we take advantage of the ability of kinetic codes to describe matter out of the continuum regime when applying large particle mean free paths. With that, we study and compare the evolution of shock waves in the hydrodynamic limit and in a regime which is not reachable by hydrodynamic codes. (C) 2014 Elsevier Inc. All rights reserved. C1 [Sagert, Irina] Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47308 USA. [Bauer, Wolfgang] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Bauer, Wolfgang; Colbry, Dirk; Howell, Jim; Pickett, Rodney; Staber, Alec] Michigan State Univ, Inst Cyber Enabled Res, E Lansing, MI 48824 USA. [Strother, Terrance] Los Alamos Natl Lab, XTD 6, Los Alamos, NM 87545 USA. RP Sagert, I (reprint author), Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47308 USA. FU Blue Water Undergraduate Petascale Education Program; Shodor; National Science Foundation [OCI-1053575]; High Performance Computer Center; Institute for Cyber-Enabled Research at Michigan State University FX The authors would like to thank the Blue Water Undergraduate Petascale Education Program and Shodor for their financial and educational support. Furthermore, this work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number OCI-1053575. I.S. is thankful to the Alexander von Humboldt foundation and acknowledges the support of the High Performance Computer Center and the Institute for Cyber-Enabled Research at Michigan State University. T.S. is grateful for useful conversations with LANL physicists James Cooley and James Mercer-Smith that helped guide his contribution to this work. NR 96 TC 3 Z9 3 U1 3 U2 26 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD JUN 1 PY 2014 VL 266 BP 191 EP 213 DI 10.1016/j.jcp.2014.02.019 PG 23 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA AD6XE UT WOS:000333403900011 ER PT J AU Jermwongratanachai, T Jacobs, G Shafer, WD Pendyala, VRR Ma, WP Gnanamani, MK Hopps, S Thomas, GA Kitiyanan, B Khalid, S Davis, BH AF Jermwongratanachai, Thani Jacobs, Gary Shafer, Wilson D. Pendyala, Venkat Ramana Rao Ma, Wenping Gnanamani, Muthu Kumaran Hopps, Shelley Thomas, Gerald A. Kitiyanan, Boonyarach Khalid, Syed Davis, Burtron H. TI Fischer-Tropsch synthesis: TPR and XANES analysis of the impact of simulated regeneration cycles on the reducibility of Co/alumina catalysts with different promoters (Pt, Ru, Re, Ag, Au, Rh, Ir) SO CATALYSIS TODAY LA English DT Article DE Regeneration; Oxidation-reduction cycles; Co/Al2O3 catalyst; Reduction promoters; Noble metal promoters; Group 11 promoters ID IN-SITU EXAFS; L-III EDGES; CO/AL2O3 CATALYSTS; DEACTIVATION MECHANISM; BIMETALLIC CATALYSTS; REDUCTION PROPERTY; COBALT CATALYSTS; XPS; SUPPORT; HYDROGENATION AB The goal of this work is to explore the ability of the metal-promoted 25%Co/Al2O3 catalyst to maintain good contact between the metal and cobalt and continue facilitating Co oxide reduction after simulated regeneration cycles through oxidation-reduction treatments, an approach designed to simulate the catalyst regeneration process. Unpromoted 25%Co/Al2O3 catalyst was also subjected to treatments and served as a reference. Seven metal promoters were examined in this work, including Pt, Ru, Re, Ag, Au, Rh, and Ir. Fresh and treated catalysts were evaluated by both TPR and XANES spectroscopy, the latter approach utilizing linear combination fittings with appropriate reference compounds. With the unpromoted catalyst, oxidation-reduction cycles tended to have two effects: (1) a fraction of CoO species that lost their interaction with the support emerged and (2) a fraction of more strongly interacting CoO species was formed. A comparison between the freshly calcined sample and samples subjected to simulated regeneration cycles was demonstrated. Pt-, Ru-, Re-, Ag-, and Rh-promoted 25%Co/Al2O3 catalysts maintained their ability to facilitate Co oxide reduction after undergoing oxidation-reduction cycles even up to 3 cycles, while with Ir- and, especially, Au-25%Co/Al2O3 some losses were observed, suggesting some separation between the promoter and cobalt occurred following the treatment cycles. TPR profiles also suggest that some separation of Ru from Co occurs with simulated regeneration cycles, although it does not impact the extent of reduction of Co after three cycles. (C) 2013 Elsevier B.V. All rights reserved. C1 [Jermwongratanachai, Thani; Jacobs, Gary; Shafer, Wilson D.; Pendyala, Venkat Ramana Rao; Ma, Wenping; Gnanamani, Muthu Kumaran; Hopps, Shelley; Thomas, Gerald A.; Davis, Burtron H.] Univ Kentucky, Ctr Appl Energy Res, Lexington, KY 40511 USA. [Jermwongratanachai, Thani; Kitiyanan, Boonyarach] Chulalongkorn Univ, Petr & Petrochem Coll, Bangkok 10330, Thailand. [Khalid, Syed] NSLS, Brookhaven Natl Lab, Upton, NY 11973 USA. RP Davis, BH (reprint author), Univ Kentucky, Ctr Appl Energy Res, 2540 Res Pk Dr, Lexington, KY 40511 USA. EM burtron.davis@uky.edu RI Gnanamani, Muthu Kumaran/M-7736-2015; Jacobs, Gary/M-5349-2015 OI Gnanamani, Muthu Kumaran/0000-0003-1274-2645; Jacobs, Gary/0000-0003-0691-6717 FU state of Wyoming Clean Coal Research Program; Commonwealth of Kentucky; Fulbright-TRF scholarship program FX This work was supported in part by a grant from the state of Wyoming Clean Coal Research Program for a project entitled "Fischer-Tropsch conversion of Wyoming coal-derived syngas using a small channel reactor for improving efficiency and limiting emissions." We further acknowledge the support of the Commonwealth of Kentucky. We are also grateful to the Fulbright-TRF scholarship program for financial support for Mr. Thani Jermwongratanachai. NR 30 TC 10 Z9 10 U1 9 U2 111 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD JUN 1 PY 2014 VL 228 BP 15 EP 21 DI 10.1016/j.cattod.2013.10.057 PG 7 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AD7NB UT WOS:000333449800003 ER PT J AU Bhavsar, S Najera, M Solunke, R Veser, G AF Bhavsar, Saurabh Najera, Michelle Solunke, Rahul Veser, Goetz TI Chemical looping: To combustion and beyond SO CATALYSIS TODAY LA English DT Article DE Chemical looping; Process intensification; Natural gas hydrogen production; CO2 capture; CO2 activation; Syngas production nanomaterials ID CATALYTIC PARTIAL OXIDATION; OXYGEN CARRIERS; SYNTHESIS GAS; CARBON-DIOXIDE; CO2 CAPTURE; HYDROGEN GENERATION; LABORATORY REACTOR; COPPER-OXIDE; METHANE; TECHNOLOGIES AB Chemical looping combustion (CLC) is a rapidly emerging technology for clean combustion of fossil and renewable fuels which allows production of sequestration-ready CO2 streams with only minor efficiency penalties for CO2 capture. While initial interest in chemical looping was almost exclusively focused on combustion, we demonstrate here that the underlying reaction engineering principle forms a highly flexible platform for fuel conversion: Replacing air with steam or CO2 as oxidizer yields the chemical looping analogue to steam and dry reforming, resulting in the production of high purity hydrogen streams without the need for further clean-up steps and a novel route for efficient CO2 activation via reduction to CO, respectively. Furthermore, by controlling the degree of carrier oxidation, incomplete, i.e. partial oxidation of the fuel to synthesis gas is attained. Finally, appropriate selection of oxygen carrier materials even allows simultaneous de sulfurization of the effluent stream, resulting in a strongly intensified process for highly efficient, low-emission conversion of S-contaminated fuel streams. Based on new results from our own research, the present paper presents a brief overview over the potential of chemical looping processes for methane conversion with a particular focus on the key role of engineered carrier materials as enablers for this class of processes. (C) 2013 Elsevier B.V. All rights reserved. C1 [Bhavsar, Saurabh; Najera, Michelle; Solunke, Rahul; Veser, Goetz] Univ Pittsburgh, Swanson Sch Engn, Dept Chem Engn, Pittsburgh, PA 15261 USA. [Bhavsar, Saurabh; Najera, Michelle; Solunke, Rahul; Veser, Goetz] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Veser, G (reprint author), Univ Pittsburgh, Swanson Sch Engn, Dept Chem Engn, 1249 Benedum Hall, Pittsburgh, PA 15261 USA. EM gveser@pitt.edu FU Department of Energy-National Energy Technology [DE-AC26-04NT41817]; National Science Foundation (CBET) [1159853]; Mascaro Center for Sustainable Innovation; Nickolas DeCecco Professorship from the Swanson School of Engineering at the University of Pittsburgh FX Financial support through the Department of Energy-National Energy Technology (DE-AC26-04NT41817), the National Science Foundation (CBET #1159853), and the Mascaro Center for Sustainable Innovation are gratefully acknowledged. The authors thank G. Zhao and P. Zhang of the Department of Structural Biology, University of Pittsburgh, for their skillful assistance with the 3D TEM tomographic studies. G.V. furthermore gratefully acknowledges support through a Nickolas DeCecco Professorship from the Swanson School of Engineering at the University of Pittsburgh. NR 55 TC 32 Z9 32 U1 4 U2 114 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 EI 1873-4308 J9 CATAL TODAY JI Catal. Today PD JUN 1 PY 2014 VL 228 BP 96 EP 105 DI 10.1016/j.cattod.2013.12.025 PG 10 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AD7NB UT WOS:000333449800012 ER PT J AU Medlin, DL Erickson, KJ Limmer, SJ Yelton, WG Siegal, MP AF Medlin, D. L. Erickson, K. J. Limmer, S. J. Yelton, W. G. Siegal, M. P. TI Dissociated dislocations in Bi2Te3 and their relationship to seven-layer Bi3Te4 defects SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID NANOWIRE ARRAYS; BISMUTH TELLURIDE; SINGLE-CRYSTALS; THIN-FILMS; ELECTRODEPOSITION; TE; SB; SE; BI AB We investigate the structure of dislocations observed in Bi2Te3 nanowires. This particular type of dislocation is interesting because it has a large Burgers vector (b = 1.048 nm) with a component normal to the basal planes equal to the thickness of one full Bi2Te3 quintuple unit (i.e., c/3). Atomic-resolution high-angle annular dark-field scanning transmission electron microscopy observations show that the dislocations form with a complex dissociated core structure. This structure consists of two partial dislocations that separate a defected region consisting of a seven-plane-thick septuple unit, consistent with a local patch of Bi3Te4, rather than the normal Bi2Te3 quintuple layer structure. As we discuss, details of the core structure can be understood from an analysis of the crystallographic parameters of the observed partial dislocations. This analysis suggests a mechanism to accommodate the loss of tellurium through the heterogeneous nucleation and growth of seven-layer defects at -type dislocations. C1 [Medlin, D. L.; Erickson, K. J.] Sandia Natl Labs, Livermore, CA 94551 USA. [Limmer, S. J.; Yelton, W. G.; Siegal, M. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Medlin, DL (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM dlmedli@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was performed under the Laboratory-Directed Research and Development program at Sandia National Laboratories. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. Additionally, we thank John Bradley for allowing the use of the aberration-corrected Titan S/TEM at Lawrence Livermore National Laboratory. NR 49 TC 7 Z9 7 U1 2 U2 75 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 EI 1573-4803 J9 J MATER SCI JI J. Mater. Sci. PD JUN PY 2014 VL 49 IS 11 BP 3970 EP 3979 DI 10.1007/s10853-014-8035-4 PG 10 WC Materials Science, Multidisciplinary SC Materials Science GA AD3RW UT WOS:000333164600015 ER PT J AU Abliz, M Vasserman, I AF Abliz, M. Vasserman, I. TI Enhanced Field Bending Magnet for the APS SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnets; electromagnets; magnetic analysis; magnetic fields AB An enhanced field bending magnet (EFBM), a pie-shaped dipole magnet that produces a peak field of about 1.2 T at the center of its gap of 4.9 cm, was recently designed for Sector 2 at the Advanced Photon Source (APS). The By field is maximized and its multipole components over X and Y are minimized by introducing two different chamfers on each edge of the iron poles. The calculated roll-off fields around the gap center in the region of +/- 1.5 cm in X and +/- 1.8 cm in Y are 1.4 X 10(-4) and 8.3 x 10(-5) respectively, at the center of the EFBM length in Z. This is a different idea as compared to shaping the top surface of iron poles by changing the gap size over the horizontal direction to get a good roll-off field, as was done for the standard APS dipole. The peak field at the center of the gap of the EFBM as a function of the current shows there is no magnetic saturation on the iron poles up to a field of 1.2 T. C1 [Abliz, M.; Vasserman, I.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Abliz, M (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mabliz@aps.anl.gov FU U.S. Department of Energy, Office of Science [E-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Science, under Contract DE-AC02-06CH11357. NR 12 TC 1 Z9 1 U1 2 U2 26 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4101104 DI 10.1109/TASC.2013.2284426 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500122 ER PT J AU Ambrosio, G Andreev, N Cheban, S Coleman, R Dhanaraj, N Evbota, D Feher, S Kashikhin, V Lamm, M Lombardo, V Lopes, ML Miller, J Nicol, T Orris, D Page, T Peterson, T Pronskikh, V Schappert, W Tartaglia, M Wands, R AF Ambrosio, G. Andreev, N. Cheban, S. Coleman, R. Dhanaraj, N. Evbota, D. Feher, S. Kashikhin, V. Lamm, M. Lombardo, V. Lopes, M. L. Miller, J. Nicol, T. Orris, D. Page, T. Peterson, T. Pronskikh, V. Schappert, W. Tartaglia, M. Wands, R. TI Challenges and Design of the Transport Solenoid for the Mu2e Experiment at Fermilab SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Aluminum stabilized cable; Mu2e; solenoid coupling; superconducting magnet; transport solenoid (TS) AB The Fermilab Mu2e experiment seeks to measure the rare process of direct muon to electron conversion in the field of a nucleus. The magnet system for this experiment is made of three warm-bore solenoids: the Production Solenoid (PS), the Transport Solenoid (TS), and the Detector Solenoid (DS). The TS is an "S-shaped" solenoid set between the other bigger solenoids. The Transport Solenoid has a warm-bore aperture of 0.5 m and field between 2.5 and 2.0 T. The PS and DS have, respectively warm-bore aperture of 1.5 m and 1.9 m, and peak field of 4.6 T and 2 T. In order to meet the field specifications, the TS starts inside the PS and ends inside the DS. The strong coupling with the adjacent solenoids poses several challenges to the design and operation of the Transport Solenoid. The coil layout has to compensate for the fringe field of the adjacent solenoids. The quench protection system should handle all possible quench and failure scenarios in all three solenoids. The support system has to be able to withstand very different forces depending on the powering status of the adjacent solenoids. In this paper, the conceptual design of the Transport Solenoid is presented and discussed focusing on these coupling issues and the proposed solutions. C1 [Ambrosio, G.; Andreev, N.; Cheban, S.; Coleman, R.; Dhanaraj, N.; Evbota, D.; Feher, S.; Kashikhin, V.; Lamm, M.; Lombardo, V.; Lopes, M. L.; Nicol, T.; Orris, D.; Page, T.; Peterson, T.; Pronskikh, V.; Schappert, W.; Tartaglia, M.; Wands, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Miller, J.] Boston Univ, Boston, MA 02215 USA. RP Ambrosio, G (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM giorgioa@fnal.gov FU ERA under DOE [DE-AC02-07CH11359] FX This work was supported in part by ERA under DOE Contract DE-AC02-07CH11359. NR 10 TC 6 Z9 6 U1 2 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4101405 DI 10.1109/TASC.2013.2287053 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500125 ER PT J AU Anerella, M Fischer, W Gupta, R Jain, A Joshi, P Kovach, P Marone, A Pikin, A Plate, S Tuozzolo, J Wanderer, P AF Anerella, M. Fischer, W. Gupta, R. Jain, A. Joshi, P. Kovach, P. Marone, A. Pikin, A. Plate, S. Tuozzolo, J. Wanderer, P. TI Mechanical Design and Construction of Superconducting e-Lens Solenoid Magnet System for RHIC Head-on Beam-Beam Compensation SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator; electron lens; solenoids; superconducting magnets AB Each 2.6-m long superconducting e-Lens magnet assembly consists of a main solenoid coil and corrector coils mounted concentric to the axis of the solenoid. Fringe field and "antifringe field" solenoid coils are also mounted coaxially at each end of the main solenoid. Due to the high magnetic field of 6 T large interactive forces are generated in the assembly between and within the various magnetic elements. The central field uniformity requirement of +/- 0.50% and the strict field straightness requirement of +/- 50 microns over 2.1 m of length provide additional challenges. The coil construction details to meet the design requirements are presented and discussed. The e-Lens coil assemblies are installed in a pressure vessel cooled to 4.5 K in a liquid helium bath. The design of the magnet adequately cools the superconducting coils and the power leads using the available cryogens supplied in the RHIC tunnel. The mechanical design of the magnet structure including thermal considerations is also presented. C1 [Anerella, M.] Brookhaven Natl Lab, Superconducting Magnet Div, Upton, NY 11973 USA. [Fischer, W.; Gupta, R.; Jain, A.; Joshi, P.; Kovach, P.; Marone, A.; Pikin, A.; Plate, S.; Tuozzolo, J.; Wanderer, P.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Anerella, M (reprint author), Brookhaven Natl Lab, Superconducting Magnet Div, Upton, NY 11973 USA. EM mda@bnl.gov FU U.S. Department of Energy [DE-AC02-98CH10886] FX This work was supported by the U.S. Department of Energy under contract DE-AC02-98CH10886. NR 3 TC 1 Z9 1 U1 0 U2 13 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4101804 DI 10.1109/TASC.2013.2290696 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500129 ER PT J AU Barzi, E Turrioni, D Zlobin, AV AF Barzi, E. Turrioni, D. Zlobin, A. V. TI Progress in Nb3Sn RRP Strand Studies and Rutherford Cable Development at FNAL SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnet; Nb3Sn wires; Rutherford cable; subelement ID ACCELERATOR MAGNETS; LARP; DESIGN AB A strong push to Nb3Sn conductor development in the U.S. as well as in Europe has been driven by the development of Nb3Sn dipoles and quadrupoles for the Large Hadron Collider (LHC) luminosity upgrades. Rutherford cables with high aspect ratio are used for these magnets to achieve large fields and gradients at relatively low currents. At Fermilab National Accelerator Laboratory (FNAL), 40-strand keystoned cables with and without a stainless steel core were developed and produced using 0.7-mm Nb3Sn strands made by Oxford Superconducting Technology with 127 and 169 restacks using the Restacked Rod Process with either NbTa alloy or Ti doping. The performance and properties of such strands and cables were studied to evaluate possible candidates for the production magnets of the LHC upgrades. The electrical performance was first compared for wires under fiat-rolling deformation and then in cables made with different processes and geometries. The round wires are also compared under tensile and compressive strain using a Walters' spring variable-temperature probe that was recently commissioned at FNAL. Finally, cable test results obtained with a 14 T/16 T Rutherford cable test facility with a bifilar sample and a superconducting transformer are shown. C1 [Barzi, E.; Turrioni, D.; Zlobin, A. V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Barzi, E (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. EM barzi@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy FX This work was supported in part by Fermi Research Alliance, LLC, under Contract DE-AC02-07CH11359 with the U.S. Department of Energy. NR 25 TC 5 Z9 5 U1 0 U2 23 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 6000808 DI 10.1109/TASC.2013.2283172 PG 8 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500348 ER PT J AU Borgnolutti, F Ambrosio, G Bossert, R Chlachidze, G Cheng, DW Dietderich, DR Felice, H Godeke, A Hafalia, AR Marchevsky, M Roy, PK Sabbi, GL Schmalzle, J Wanderer, P Yu, M AF Borgnolutti, F. Ambrosio, G. Bossert, R. Chlachidze, G. Cheng, D. W. Dietderich, D. R. Felice, H. Godeke, A. Hafalia, A. R. Marchevsky, M. Roy, P. K. Sabbi, G. L. Schmalzle, J. Wanderer, P. Yu, M. TI Fabrication of a Second-Generation of Nb3Sn Coils for the LARP HQ02 Quadrupole Magnet SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Nb3Sn magnet; superconducting accelerator magnets AB In the framework of the Large Hadron Collider Luminosity upgrade (HiLumi-LHC) project, the US LHC accelerator research program is developing high-gradient, large-aperture Nb3Sn quadrupole magnets for the LHC interaction regions. The fabrication and tests of a first series of 120-mm-aperture "HQ01" coils revealed design issues that resulted in limited performance. A second series of coils was fabricated in which a number of improved features were implemented (HQ02 coils). The improvements were partly validated with the successful test of an HQ02 coil in a mirror structure, which reached 97% of the short sample. Here, we review the modifications in the coil design and the coil fabrication process, report the issues met during the fabrication, give details of the few differences that exist within the set of HQ02 coils, and discuss a list of further improvements that will be implemented in a third series of HQ coils. C1 [Borgnolutti, F.; Cheng, D. W.; Dietderich, D. R.; Felice, H.; Godeke, A.; Hafalia, A. R.; Marchevsky, M.; Roy, P. K.; Sabbi, G. L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ambrosio, G.; Bossert, R.; Chlachidze, G.; Yu, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Schmalzle, J.; Wanderer, P.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Borgnolutti, F (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM fborgnolutti@lbl.gov FU Office of High Energy and Nuclear Physics, U.S. Department of Energy, under Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Office of High Energy and Nuclear Physics, U.S. Department of Energy, under Fermi National Laboratory [DE-AC02-07CH11259]; Office of High Energy and Nuclear Physics, U.S. Department of Energy, under Brookhaven National Laboratory [DE-AC02-98CH10886] FX This work was supported in part by the Office of High Energy and Nuclear Physics, U.S. Department of Energy, under Contract Lawrence Berkeley National LaboratoryDE-AC02-05CH11231; Fermi National LaboratoryDE-AC02-07CH11259; and Brookhaven National LaboratoryDE-AC02-98CH10886. NR 18 TC 5 Z9 5 U1 3 U2 16 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4003005 DI 10.1109/TASC.2013.2282758 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500097 ER PT J AU Borgnolutti, F Ambrosio, G Bermudez, SI Cheng, D Dietderich, DR Felice, H Ferracin, P Sabbi, GL Todesco, E Yu, M AF Borgnolutti, F. Ambrosio, G. Bermudez, S. Izquierdo Cheng, D. Dietderich, D. R. Felice, H. Ferracin, P. Sabbi, G. L. Todesco, E. Yu, M. TI Magnetic Design Optimization of a 150 mm Aperture Nb3Sn Low-Beta Quadrupole for the HiLumi LHC SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE LHC upgrade; Nb3Sn magnet; superconducting accelerator magnets AB As part of the Large Hadron Collider Luminosity upgrade (HiLumi) program, the US LARP collaboration and CERN are working together to design and build a 150 mm aperture Nb3Sn quadrupole magnet that aims at providing a nominal gradient of 140 T/m. In this paper we describe the optimization process yielding the selected 2D coil cross-section and the 3D coil ends design. For the 2D optimization a sector-coil model that allows fast computation of field harmonics is used to identify, among a large number of cases, those cross-sections that provide an acceptable field quality. A more detailed analysis of these solutions is then performed and it led to the selection of an optimized cross-section from which a real coil is built by approximating sectors with blocks of cable. A 3D design of the coil ends is then realized with the Roxie software. Optimization constraints are set on the integrated multipoles, the peak field, and the coil head length. C1 [Borgnolutti, F.; Cheng, D.; Dietderich, D. R.; Felice, H.; Sabbi, G. L.] LBNL, Berkeley, CA 94720 USA. [Ambrosio, G.; Yu, M.] FNAL, Batavia, IL 60510 USA. [Bermudez, S. Izquierdo; Ferracin, P.; Todesco, E.] CERN, CH-1211 Geneva, Switzerland. RP Borgnolutti, F (reprint author), LBNL, Berkeley, CA 94720 USA. EM fborgnolutti@lbl.gov FU Office of High Energy and Nuclear Physics, U.S. Department of Energy [DE-AC02-05CH11231, DE-AC02-07CH11259]; European Commission under the FP7 project HiLumi LHC [284404] FX The research leading to these results has received funding from the Office of High Energy and Nuclear Physics, U.S. Department of Energy (under contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory and No. DE-AC02-07CH11259 at Fermi National Laboratory) and from the European Commission under the FP7 project HiLumi LHC (GA no. 284404). NR 14 TC 5 Z9 5 U1 1 U2 20 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4000405 DI 10.1109/TASC.2013.2279905 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500072 ER PT J AU Brouwer, L Arbelaez, D Caspi, S Felice, H Prestemon, S Rochepault, E AF Brouwer, L. Arbelaez, D. Caspi, S. Felice, H. Prestemon, S. Rochepault, E. TI Structural Design and Analysis of Canted-Cosine-Theta Dipoles SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnets; canted-cosine-theta (CCT); high field; superconducting magnets ID MAGNET DESIGN; SOLENOIDS; THERAPY AB The Canted-Cosine-Theta (CCT) magnet design offers significant reductions in conductor stress by using mandrels to prevent the accumulation of operating Lorentz forces. Each mandrel consists of a cylindrical spar with ribs guiding the conductor. These ribs intercept the turn-to-turn accumulation of forces by transferring them to the spar. Design studies of a layered CCT coil pack coupled to a shell-based structure are shown. The use of a 3-D periodic symmetry region to reduce the problem size for finite element modeling is detailed along with a discussion of axial boundary conditions. ANSYS calculation results for a two layer NbTi dipole being constructed at LBNL (CCT1) are presented. ANSYS calculations show the Lorentz force induced stress in CCT1 at the single turn level, demonstrating interception and suggesting investigation of CCT design with minimal structure external to the coil pack. C1 [Brouwer, L.] Univ Calif Berkeley, Berkeley, CA 94704 USA. [Arbelaez, D.; Caspi, S.; Felice, H.; Prestemon, S.; Rochepault, E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Brouwer, L (reprint author), Univ Calif Berkeley, Berkeley, CA 94704 USA. EM lnbrouwer@lbl.gov FU Office of Science, High Energy Physics, and U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [DGE 1106400] FX This work was supported by the Director, Office of Science, High Energy Physics, and U.S. Department of Energy under Contract DE-AC02-05CH11231, and by the National Science Foundation under Grant No. DGE 1106400. NR 24 TC 5 Z9 5 U1 2 U2 25 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4001506 DI 10.1109/TASC.2013.2284425 PG 6 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500083 ER PT J AU Buehler, M Gluchko, S Lopes, ML Orozco, C Tartaglia, M Tompkins, J AF Buehler, M. Gluchko, S. Lopes, M. L. Orozco, C. Tartaglia, M. Tompkins, J. TI Mu2e Magnetic Measurement Studies SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Magnetic field measurement; solenoids; super-conducting magnets AB The NIu2e experiment at Fermilab is designed to explore charged lepton flavor violation by searching for muon-to-electron conversion. The magnetic field generated by a system of solenoids is a crucial component of Mu2e and requires accurate characterization to detect any potential flaws and to produce a detailed field map. In order to design and build a precise field mapping system consisting of Hall and NMR probes, tolerances and precision for such a system need to be evaluated. To generate a final magnetic field map of the Mu2e solenoids, a continuous field has to be extracted from a discrete set of measurement points. A design for the Mu2e field mapping hardware, and results from simulations to specify parameters for Hall and NMR probes are presented. A fitting procedure for the analytical treatment of our expected magnetic measurements is introduced. C1 [Buehler, M.; Lopes, M. L.; Tartaglia, M.; Tompkins, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Gluchko, S.] Belarusian State Univ, Minsk 20050, Byelarus. [Orozco, C.] Univ Illinois, Champaign, IL 61820 USA. RP Buehler, M (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM buehler@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy FX Manuscript received July 16, 2013; accepted October 11, 2013. Date of publication October 30, 2013; date of current version November 2013. This work was supported in part by Fermi Research Alliance, LLC under Contract DE-AC02-07CH11359 with the U.S. Department of Energy. NR 6 TC 0 Z9 0 U1 0 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 DI 10.1109/TASC.2013.2287702 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500405 ER PT J AU Carcagno, R Feher, S Hays, S Hemmati, A Kashikhin, VV Kim, MJ Kokoska, L Lamm, MJ Makida, Y Nogiec, J Ogitsu, T Orris, DF Page, T Poloubotko, V Rabehl, R Soyars, W Sylvester, C Tartaglia, MA Yamamoto, A Yoshida, M AF Carcagno, R. Feher, S. Hays, S. Hemmati, A. Kashikhin, V. V. Kim, M. J. Kokoska, L. Lamm, M. J. Makida, Y. Nogiec, J. Ogitsu, T. Orris, D. F. Page, T. Poloubotko, V. Rabehl, R. Soyars, W. Sylvester, C. Tartaglia, M. A. Yamamoto, A. Yoshida, M. TI Prototype Conduction Cooled Capture Solenoid Test Design and Plans SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Conduction cooled; detector magnet; prototype; superconducting solenoid AB Large aperture superconducting solenoid magnets are needed for the production and capture of pions, which decay to create intense nation beams in future experiments to search for direct muon to electron conversion. The COMET experiment in Japan and the Mu2e experiment in the U.S. are jointly conducting research into the design of capture solenoid coils made from aluminum-stabilized NbTi superconductor that is cooled by conduction to a supply of liquid helium. A prototype coil of 1.3-m inner diameter, having four layers of eight turns each, has been wound with pure aluminum interlayer fins for the conduction cooling. The test coil includes two types of welded splices, two film heaters for quench studies, and extensive instrumentation to evaluate strain, temperature profiles, and coil voltages. Details of the cryogenic conduction cooling scheme, test systems design, and test program plans will be discussed. C1 [Carcagno, R.; Feher, S.; Hays, S.; Hemmati, A.; Kashikhin, V. V.; Kim, M. J.; Kokoska, L.; Lamm, M. J.; Nogiec, J.; Orris, D. F.; Page, T.; Poloubotko, V.; Rabehl, R.; Soyars, W.; Sylvester, C.; Tartaglia, M. A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Makida, Y.; Ogitsu, T.; Yamamoto, A.; Yoshida, M.] KEK, High Energy Accelerator Res Org, Tsukuba, Ibaraki 3120801, Japan. RP Carcagno, R (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM tartaglia@fnal.gov; makoto.yoshida@kek.jp FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy; Japan U.S. cooperative program in High Energy Physics FX This work was supported in part by Fermi Research Alliance, LLC, under contract DE-AC02-07CH11359 with the U.S. Department of Energy, and in part by the Japan U.S. cooperative program in High Energy Physics. NR 6 TC 0 Z9 0 U1 3 U2 18 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4100704 DI 10.1109/TASC.2013.2284493 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500118 ER PT J AU Carcagno, R Hemmati, A Hayano, H Kashikhin, VS Kim, MJ Kimura, N Kokoska, L Kotelnikov, S Nogiec, J Orris, DF Pilipenko, R Sylvester, C Takahashi, M Tartaglia, MA Tosaka, T Wokas, T Yamamoto, A AF Carcagno, R. Hemmati, A. Hayano, H. Kashikhin, V. S. Kim, M. J. Kimura, N. Kokoska, L. Kotelnikov, S. Nogiec, J. Orris, D. F. Pilipenko, R. Sylvester, C. Takahashi, M. Tartaglia, M. A. Tosaka, T. Wokas, T. Yamamoto, A. TI Magnetic and Thermal Performance of a Conduction-Cooled Splittable Quadrupole SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Conduction cooled; cryomodule focusing element; magnetic center; prototype; quench; superconducting quadrupole AB A superconducting quadrupole magnet with splittable yoke has been designed for use in ILC Main Linac (NIL) cryomodules. The splittable yoke allows assembly around the beam pipe, to avoid potential contamination of the superconducting RE cavities. The magnet is cooled by conduction and covers the full range of required ML field gradients. A critical requirement is stability of the magnetic center, at the level of 5 mu m, for a 20% variation of the operating field. We report here the results of thermal, quench, and magnetic performance tests of a prototype splittable quadrupole, that were made up to the maximum design operating gradient in a conduction-cooled test cryostat. C1 [Carcagno, R.; Hemmati, A.; Kashikhin, V. S.; Kim, M. J.; Kokoska, L.; Kotelnikov, S.; Nogiec, J.; Orris, D. F.; Pilipenko, R.; Sylvester, C.; Tartaglia, M. A.; Wokas, T.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Hayano, H.; Kimura, N.; Yamamoto, A.] KEK, High Energy Accelerator Res Org, Tsukuba, Ibaraki 3120801, Japan. [Takahashi, M.; Tosaka, T.] Toshiba Co Ltd, Tokyo 1058001, Japan. RP Carcagno, R (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM nobuhiro.kimura@kek.jp; masahico.takahashi@toshiba.co.jp; tartaglia@fnal.gov; taizo.tosaka@toshiba.co.jp FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy; Japan-U.S. cooperative program in High Energy Physics FX This work was supported in part by Fermi Research Alliance, LLC, under contract No. DE-AC02-07CH11359 with the U.S. Department of Energy, and by the Japan-U.S. cooperative program in High Energy Physics. NR 6 TC 1 Z9 1 U1 2 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4001604 DI 10.1109/TASC.2013.2284424 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500084 ER PT J AU Caspi, S Borgnolutti, F Brouwer, L Cheng, D Dietderich, DR Felice, H Godeke, A Hafalia, R Martchevskii, M Prestemon, S Rochepault, E Swenson, C Wang, X AF Caspi, S. Borgnolutti, F. Brouwer, L. Cheng, D. Dietderich, D. R. Felice, H. Godeke, A. Hafalia, R. Martchevskii, M. Prestemon, S. Rochepault, E. Swenson, C. Wang, X. TI Canted-Cosine-Theta Magnet (CCT)-A Concept for High Field Accelerator Magnets SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnets; Canted-Cosine-Theta magnet; CCT; high field; superconducting dipole ID DIPOLE MAGNET; DESIGN AB Canted-Cosine-Theta (CCT) magnet is an accelerator magnet that superposes fields of nested and tilted solenoids that are oppositely canted. The current distribution of any canted layer generates a pure harmonic field as well as a solenoid field that can be cancelled with a similar but oppositely canted layer. The concept places windings within mandrel's ribs and spars that simultaneously intercept and guide Lorentz forces of each turn to prevent stress accumulation. With respect to other designs, the need for pre-stress in this concept is reduced by an order of magnitude making it highly compatible with the use of strain sensitive superconductors such as Nb3Sn or HTS. Intercepting large Lorentz forces is of particular interest in magnets with large bores and high field accelerator magnets like the one foreseen in the future high energy upgrade of the LHC. This paper describes the CCT concept and reports on the construction of CCTI a "proof of principle" dipole. C1 [Caspi, S.; Borgnolutti, F.; Brouwer, L.; Cheng, D.; Dietderich, D. R.; Felice, H.; Godeke, A.; Hafalia, R.; Martchevskii, M.; Prestemon, S.; Rochepault, E.; Swenson, C.; Wang, X.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Caspi, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM s_caspi@lbl.gov FU Office of Science, High Energy Physics, U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [DGE 1106400] FX This work was supported in part by the Director, Office of Science, High Energy Physics, U.S. Department of Energy under contract DE-AC02-05CH11231, and by the National Science Foundation under Grant DGE 1106400. NR 15 TC 5 Z9 5 U1 1 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4001804 DI 10.1109/TASC.2013.2284722 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500086 ER PT J AU Chlachidze, G Ambrosio, G Anerella, M Borgnolutti, F Bossert, R Caspi, S Cheng, DW Dietderich, D Felice, H Ferracin, P Ghosh, A Godeke, A Hafalia, AR Marchevsky, M Orris, D Roy, PK Sabbi, GL Salmi, T Schmalzle, J Sylvester, C Tartaglia, M Tompkins, J Wanderer, P Wang, XR Zlobin, AV AF Chlachidze, G. Ambrosio, G. Anerella, M. Borgnolutti, F. Bossert, R. Caspi, S. Cheng, D. W. Dietderich, D. Felice, H. Ferracin, P. Ghosh, A. Godeke, A. Hafalia, A. R. Marchevsky, M. Orris, D. Roy, P. K. Sabbi, G. L. Salmi, T. Schmalzle, J. Sylvester, C. Tartaglia, M. Tompkins, J. Wanderer, P. Wang, X. R. Zlobin, A. V. TI Performance of HQ02, an Optimized Version of the 120 mm Nb3Sn LARP Quadrupole SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE High-luminosity upgrade of Large Hadron Collider (HiLumi-LHC); LHC accelerator research program (LARP); Nb3Sn quadrupole magnet; quench performance AB In preparation for the high luminosity upgrade of the Large Hadron Collider (LHC), the LHC Accelerator Research Program (LARP) is developing a new generation of large aperture high-field quadrupoles based on Nb3Sn technology. One meter long and 120 mm diameter HQ quadrupoles are currently produced as a step toward the eventual aperture of 150 mm. Tests of the first series of HQ coils revealed the necessity for further optimization of the coil design and fabrication process. A new model (HQ02) has been fabricated with several design modifications, including a reduction of the cable size and an improved insulation scheme. Coils in this magnet are made of a cored cable using 0.778 mm diameter Nb3Sn strands of RRP 108/127 subelement design. The HQ02 magnet has been fabricated at LBNL and BNL, and then tested at Fermilab. This paper summarizes the performance of HQ02 at 4.5 K and 1.9 K temperatures. Index Terms High-luminosity upgrade of Large C1 [Chlachidze, G.; Ambrosio, G.; Bossert, R.; Orris, D.; Sylvester, C.; Tartaglia, M.; Tompkins, J.; Zlobin, A. V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Anerella, M.; Ghosh, A.; Schmalzle, J.; Wanderer, P.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Borgnolutti, F.; Caspi, S.; Cheng, D. W.; Dietderich, D.; Felice, H.; Godeke, A.; Hafalia, A. R.; Marchevsky, M.; Roy, P. K.; Sabbi, G. L.; Salmi, T.; Wang, X. R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ferracin, P.] CERN, European Org Nucl Res, CH-1211 Geneva 23, Switzerland. RP Chlachidze, G (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM guram@fnal.gov FU U.S. Department of Energy through the US LHC Accelerator Research Program (LARP) at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; U.S. Department of Energy through the US LHC Accelerator Research Program (LARP) at Fermi National Laboratory [DE-AC02-07CH11359]; U.S. Department of Energy through the US LHC Accelerator Research Program (LARP) at Brookhaven National Laboratory [DE-AC02-98CH10886] FX This work was supported in pat by the U.S. Department of Energy through the US LHC Accelerator Research Program (LARP) under Contract DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory; Contract DE-AC02-07CH11359 at Fermi National Laboratory; and Contract DE-AC02-98CH10886 at Brookhaven National Laboratory. NR 11 TC 7 Z9 7 U1 2 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4003805 DI 10.1109/TASC.2013.2285885 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500105 ER PT J AU Chlachidze, G DiMarco, J Andreev, N Apollinari, G Auchmann, B Barzi, E Bossert, R Fiscarelli, L Karppinen, M Nobrega, F Novitski, I Rossi, L Smekens, D Turrioni, D Velev, GV Zlobin, AV AF Chlachidze, G. DiMarco, J. Andreev, N. Apollinari, G. Auchmann, B. Barzi, E. Bossert, R. Fiscarelli, L. Karppinen, M. Nobrega, F. Novitski, I. Rossi, L. Smekens, D. Turrioni, D. Velev, G. V. Zlobin, A. V. TI Field Quality Study of a 1-m-Long Single-Aperture 11-T Nb3Sn Dipole Model for LHC Upgrades SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Field quality; magnetic measurement; superconducting accelerator magnets AB FNAL and CERN are carrying out a joint R&D program with the goal of building a 5.5-m-long twin-aperture 11-T Nb3Sn dipole prototype that is suitable for installation in the LHC. An important part of the program is the development and test of a series of short single-aperture and twin-aperture dipole models with a nominal field of 11 T at the LHC operation current of 11.85 kA and 20% margin. This paper presents the results of magnetic measurements of a 1-m-long single-aperture Nb3Sn dipole model fabricated and tested recently at FNAL, including geometrical field harmonics and effects of coil magnetization and iron yoke saturation. C1 [Chlachidze, G.; DiMarco, J.; Andreev, N.; Apollinari, G.; Barzi, E.; Bossert, R.; Nobrega, F.; Novitski, I.; Turrioni, D.; Velev, G. V.; Zlobin, A. V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Auchmann, B.; Fiscarelli, L.; Karppinen, M.; Rossi, L.; Smekens, D.] CERN, European Org Nucl Res, CH-1211 Geneva 23, Switzerland. RP Chlachidze, G (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM zlobin@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy; European Commission [284404] FX This work was supported by Fermi Research Alliance, LLC, under Contract DE-AC02-07CH11359 with the U.S. Department of Energy and European Commission under FP7 project HiLumi LHC, GA no. 284404. NR 13 TC 1 Z9 1 U1 1 U2 35 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4000905 DI 10.1109/TASC.2013.2283169 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500077 ER PT J AU Collings, EW Susner, MA Sumption, MD Dietderich, DR AF Collings, Edward W. Susner, Mike A. Sumption, Mike D. Dietderich, Daniel R. TI Extracted Strand Magnetizations of an HQ Type Nb3Sn Rutherford Cable and Estimation of Transport Corrections at Operating and Injection Fields SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Bore field quality; cable magnetization; high gradient quadrupole (HQ); large hadron coflider (LHC); Nb3Sn strand; persistent current magnetization ID INTERSTRAND CONTACT RESISTANCE; AC-LOSS; COUPLING LOSSES; LARP AB One of the goals of the Large Hadron Collider Accelerator Research Program (LARP) is to demonstrate the feasibility of Nb3Sn technology for a proposed luminosity upgrade based on large aperture high gradient quadrupole (HQ) magnets. For such magnets, field quality at the bore is a critical requirement for which reason the parasitic magnetization of the windings must be reduced to manageable limits. In other words, it is necessary to minimize 1) the static intrastrand persistent-current magnetization of the cable and 2) the cable's coupling magnetization caused by coupling currents passing through interstrand contact resistance during field ramping. This report focuses on persistent-current magnetization as measured by vibrating-sample magnetometry on pieces of strand removed from a section of heat treated HQ cable. C1 [Collings, Edward W.; Susner, Mike A.; Sumption, Mike D.] Ohio State Univ, Ctr Superconducting & Magnet Mat, Dept Mat Sci & Engn, Columbus, OH 43210 USA. [Dietderich, Daniel R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Superconducting Magnet Grp, Berkeley, CA 94720 USA. RP Collings, EW (reprint author), Ohio State Univ, Ctr Superconducting & Magnet Mat, Dept Mat Sci & Engn, Columbus, OH 43210 USA. EM sumption.3@osu.edu RI Susner, Michael/G-3275-2015; Susner, Michael/B-1666-2013; Sumption, Mike/N-5913-2016 OI Susner, Michael/0000-0002-1211-8749; Susner, Michael/0000-0002-1211-8749; Sumption, Mike/0000-0002-4243-8380 FU U.S. Department of Energy, Office of High Energy Physics [DE-FG02-95ER40900, DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy, Office of High Energy Physics, under Grant DE-FG02-95ER40900 (OSU) and Grant DE-AC02-05CH11231 (LBNL). NR 28 TC 3 Z9 3 U1 0 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4802605 DI 10.1109/TASC.2013.2286860 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500280 ER PT J AU Cozzolino, J Anerella, M Ambrosio, G Felice, H Ferracin, P Kovach, P Sabbi, G Schmalzle, J Wanderer, P AF Cozzolino, J. Anerella, M. Ambrosio, G. Felice, H. Ferracin, P. Kovach, P. Sabbi, G. Schmalzle, J. Wanderer, P. TI Design of a 150-mm Coil Support Structure With Accelerator Integration Features for LARP Nb3Sn Quadrupole Magnets SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Collar; high field; LHC; quadrupole; shell; superconducting magnet AB The design of a structure for the 150-mm coil aperture Nb3Sn quadrupole magnet is presented to demonstrate principles fir use in the upgrade for LHC at CERN. The design builds on existing technology developed in LARP and further optimizes the features required for operation in the accelerator. The structure and the assembly methods include features for maintaining mechanical alignment of the coils to achieve the required field quality. The structure also incorporates a helium containment vessel and provisions for cooling with 1.9 K helium. The paper will include critical design elements and supporting structural analysis. C1 [Cozzolino, J.; Anerella, M.; Kovach, P.; Schmalzle, J.; Wanderer, P.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Ambrosio, G.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Felice, H.; Sabbi, G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ferracin, P.] CERN, CH-1217 Meyrin, Switzerland. RP Cozzolino, J (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM cozz@bnl.gov FU Office of Energy Research, U.S. Department of Energy [DE-AC02-05CH11231]; European Commission [284404]; DoE, USA; KEK, Japan FX This work was supported in part by the Director, Office of Energy Research, U.S. Department of Energy, under Contract No. DE-AC02-05CH11231 and by the European Commission under the EP7 project IliLumi LIIC, Grant 284404, cofunded by the DoE, USA and KEK, Japan. NR 12 TC 1 Z9 1 U1 3 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4003704 DI 10.1109/TASC.2013.2290603 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500104 ER PT J AU Cui, J Xu, JP Li, W Li, M Zhang, ZC Ji, XK Prestemon, S Koettig, T Schlueter, R Zhang, P Cheng, Y AF Cui, J. Xu, J. P. Li, W. Li, M. Zhang, Z. C. Ji, X. K. Prestemon, S. Koettig, T. Schlueter, R. Zhang, P. Cheng, Y. TI Development of a Cryogenic Calorimeter for Investigating Beam-Based Heat Load of Superconducting Undulators SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Calorimeter; heat load; image current; superconducting undulators AB Superconducting undulators provide higher magmatic field to increase the brilliance and photon energy of synchrotron light sources. To quantify the amount of beam-based heat load of storage rings and optimize the design of cryogenic system, Lawrence Berkeley National Laboratory (LBNL) proposed a cryogenic calorimeter to perform the working condition of superconducting undulators. The calorimeter has been developed by Shanghai Institute of Applied Physics (SINAP) and installed on storage ring of Shanghai Synchrotron Radiation Facility (SSRF). Also, online experiments started in September 2012. This paper describes the cryogenic system and beam-based heat load measurement system. Also, some measurement results are given in the paper. C1 [Cui, J.; Xu, J. P.; Li, W.; Li, M.; Zhang, Z. C.; Ji, X. K.] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201204, Peoples R China. [Prestemon, S.; Koettig, T.; Schlueter, R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Zhang, P.; Cheng, Y.] Shanghai Jiao Tong Univ, Inst Refrigerat & Cryogen, Shanghai 200240, Peoples R China. RP Cui, J (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201204, Peoples R China. EM cuijian@sinap.a.c.cn RI Zhang, Peng/F-9792-2010 OI Zhang, Peng/0000-0002-5980-8229 FU National Natural Science Foundation of China [A050701] FX Manuscript received July 17, 2013; accepted November 18, 2013. Date of publication November 28, 2013; date of current version February 17, 2014. This work was supported by the National Natural Science Foundation of China under Grant A050701. NR 6 TC 3 Z9 3 U1 1 U2 12 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 0503604 DI 10.1109/TASC.2013.2293337 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500035 ER PT J AU DiMarco, J Ambrosio, G Buehler, M Chlachidze, G Orris, D Sylvester, C Tartaglia, M Velev, G Yu, M Zlobin, AV Ghosh, A Schmalzle, J Wanderer, P Borgnolutti, F Cheng, D Dietderich, D Felice, H Godeke, A Hafalia, R Joseph, J Lizarazo, J Marchevsky, M Prestemon, SO Sabbi, GL Salehi, A Wang, X Ferracin, P Todesco, E AF DiMarco, J. Ambrosio, G. Buehler, M. Chlachidze, G. Orris, D. Sylvester, C. Tartaglia, M. Velev, G. Yu, M. Zlobin, A. V. Ghosh, A. Schmalzle, J. Wanderer, P. Borgnolutti, F. Cheng, D. Dietderich, D. Felice, H. Godeke, A. Hafalia, R. Joseph, J. Lizarazo, J. Marchevsky, M. Prestemon, S. O. Sabbi, G. L. Salehi, A. Wang, X. Ferracin, P. Todesco, E. TI Field Quality Measurements of LARP Nb3Sn Magnet HQ02 SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Field quality; magnetic measurement; superconducting accelerator magnets AB Large-aperture, high-field, Nb3Sn quadrupoles are being developed by the U.S. LHC accelerator research program (LARP) for the High luminosity upgrade of the Large Hadron Collider (HiLumi-LHC). The first 1 m long, 120 mm aperture prototype, HQ01, was assembled with various sets of coils and tested at LBNL and CERN. Based on these results, several design modifications have been introduced to improve the performance for HQ02, the latest model. From the field quality perspective, the most relevant improvements are a cored cable for reduction of eddy current effects, and more uniform coil components and fabrication processes. This paper reports on the magnetic measurements of HQ02 during recent testing at the Vertical Magnet Test Facility at Fermilab. Results of baseline measurements performed with a new multilayer circuit board probe are compared with the earlier magnet. An analysis of probe and measurement system performance is also presented. C1 [DiMarco, J.; Ambrosio, G.; Buehler, M.; Chlachidze, G.; Orris, D.; Sylvester, C.; Tartaglia, M.; Velev, G.; Yu, M.; Zlobin, A. V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Ghosh, A.; Schmalzle, J.; Wanderer, P.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Borgnolutti, F.; Cheng, D.; Dietderich, D.; Felice, H.; Godeke, A.; Hafalia, R.; Joseph, J.; Lizarazo, J.; Marchevsky, M.; Prestemon, S. O.; Sabbi, G. L.; Salehi, A.; Wang, X.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ferracin, P.; Todesco, E.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. RP DiMarco, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM dimarco@fnal.gov FU Office of High Energy Physics, DOE [DE-FG02-95ER40900] FX The authors thank M. Sumption and X. Xu at Ohio State University for measuring the strand magnetization (supported by the Office of High Energy Physics, DOE DE-FG02-95ER40900). Also, technical staff of FNAL, BNL, and LBNL for contributions to magnet design, fabrication, and test. NR 12 TC 4 Z9 4 U1 0 U2 12 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4003905 DI 10.1109/TASC.2013.2291557 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500106 ER PT J AU Feher, S Andreev, N Brandt, J Cheban, S Coleman, R Dhanaraj, N Fang, I Lamm, M Lombardo, V Lopes, M Miller, J Ostojic, R Orris, D Page, T Peterson, T Tang, Z Wands, R AF Feher, S. Andreev, N. Brandt, J. Cheban, S. Coleman, R. Dhanaraj, N. Fang, I. Lamm, M. Lombardo, V. Lopes, M. Miller, J. Ostojic, R. Orris, D. Page, T. Peterson, T. Tang, Z. Wands, R. TI Reference Design of the Mu2e Detector Solenoid SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Detector; magnet; solenoid; superconducting AB The Mu2e experiment at Fermilab has been approved by the Department of Energy to proceed with the development of the preliminary design. Integral to the success of Mu2e is the superconducting solenoid system. One of the three major solenoids is the detector solenoid that houses the stopping target and the detectors. The goal of the detector solenoid team is to produce detailed design specifications that are sufficient for vendors to produce the final design drawings, tooling and fabrication procedures and proceed to production. In this paper we summarize the reference design of the detector solenoid. C1 [Feher, S.; Andreev, N.; Brandt, J.; Cheban, S.; Coleman, R.; Dhanaraj, N.; Fang, I.; Lamm, M.; Lombardo, V.; Lopes, M.; Orris, D.; Page, T.; Peterson, T.; Tang, Z.; Wands, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Ostojic, R.] CERN, CH-1211 Geneva, Switzerland. [Miller, J.] Boston Univ, Boston, MA 02215 USA. RP Feher, S (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. EM fehers@fnal.gov FU Fermi Research Alliance under DOE [DE-AC02-07CH11359] FX This work was supported in part by the Fermi Research Alliance under DOE Contract DE-AC02-07CH11359. NR 7 TC 2 Z9 2 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4500304 DI 10.1109/TASC.2013.2283727 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500207 ER PT J AU Feng, L Yu, W Huan, J Min, Y Han, QY Feng, L Kalish, M Daly, E AF Feng, Long Yu, Wu Huan, Jin Min, Yu Han Qiyang Feng, Ling Kalish, Michael Daly, Edward TI R&D Activities on ITER In-Vessel Coil SSMI Conductor Fabrication SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE In-vessel coil; ITER; SSMIC AB A Task Agreement (TA) "Final Design and Prototyping of the ITER In-Vessel Coils (IVCs) and Feeders" was signed and in implementation between ITER Organization and China Domestic Agency (CNDA) and Institute of Plasma Physics, Chinese Academy of Sciences (ASIPP) to advance the design of the ITER IVCs toward final design review readiness including manufacture of prototype ELM and VS coils. Based on many fruitful research results, Princeton Plasma Physics Laboratory (PPPL) is also involved into this TA and in charge of most analysis works, specifications, and electrical breakdown tests of the mineral insulated conductor during irradiation. ITER IVCs consist of Edge-Localized Mode (ELM) and Vertical Stabilization (VS) coils. Structure of Stainless Steel Jacketed Mineral Insulated Conductor (SSMIC) using Magnesium Oxide (MgO) as insulation is being developed for the IVCs manufacture. Different from the industrial products, to ensure the high purity MgO and reach as high as possible insulation performance, ASIPP has developed the compaction method for the scaled-up SSMI Conductor fabrication. After some R&D processes, final dimension ELM and VS SSMI conductor are fabricated. R&D works for SSMIC manufacture are presented in this paper. C1 [Feng, Long; Yu, Wu; Huan, Jin; Min, Yu; Han Qiyang; Feng, Ling] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. [Kalish, Michael] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Daly, Edward] ITER Org, F-13115 St Paul Les Durance, France. RP Feng, L (reprint author), Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. EM longf@ipp.ac.cn NR 6 TC 0 Z9 0 U1 0 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 6900105 DI 10.1109/TASC.2013.2286674 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500363 ER PT J AU Ferracin, P Ambrosio, G Anerella, M Borgnolutti, F Bossert, R Cheng, D Dietderich, DR Felice, H Ghosh, A Godeke, A Bermudez, SI Fessia, P Krave, S Juchno, M Perez, JC Oberli, L Sabbi, G Todesco, E Yu, M AF Ferracin, P. Ambrosio, G. Anerella, M. Borgnolutti, F. Bossert, R. Cheng, D. Dietderich, D. R. Felice, H. Ghosh, A. Godeke, A. Bermudez, S. Izquierdo Fessia, P. Krave, S. Juchno, M. Perez, J. C. Oberli, L. Sabbi, G. Todesco, E. Yu, M. TI Magnet Design of the 150 mm Aperture Low-beta Quadrupoles for the High Luminosity LHC SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE High luminosity LHC (HL-LHC); interaction regions (IR); low-beta quadrupoles; Nb3Sn magnets ID NB3SN MODEL QUADRUPOLE; MECHANICAL-BEHAVIOR; INTERACTION REGIONS; FERMILAB; UPGRADE; PROTOTYPE; LARP AB The high luminosity LHC (HL-LHC) project is aimed at studying and implementing the necessary changes in the LHC to increase its luminosity by a factor of five. Among the magnets that will be upgraded are the 16 superconducting low-beta quadrupoles placed around the two high luminosity interaction regions (ATLAS and CMS experiments). In the current baseline scenario, these quadrupole magnets will have to generate a gradient of 140 T/m in a coil aperture of 150 mm. The resulting conductor peak field of more than 12 T will require the use of Nb3Sn superconducting coils. We present in this paper the HL-LHC low-beta quadrupole design, based on the experience gathered by the US LARP program, and, in particular, we describe the support structure components to pre-load the coils, withstand the electro-magnetic forces, provide alignment and LHe containment, and integrate the cold mass in the LHC IRs. C1 [Ferracin, P.; Bermudez, S. Izquierdo; Fessia, P.; Juchno, M.; Perez, J. C.; Oberli, L.; Todesco, E.] CERN, CH-1211 Geneva, Switzerland. [Ambrosio, G.; Bossert, R.; Krave, S.; Yu, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Anerella, M.; Ghosh, A.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Borgnolutti, F.; Cheng, D.; Dietderich, D. R.; Felice, H.; Godeke, A.; Sabbi, G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Ferracin, P (reprint author), CERN, CH-1211 Geneva, Switzerland. EM paolo.ferracin@cern.ch FU European Commission [284404] FX This work was supported in part by the European Commission within the Framework Programme 7 Capacities Specific Programme under Grant 284404. NR 39 TC 22 Z9 22 U1 3 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4002306 DI 10.1109/TASC.2013.2284970 PG 6 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500090 ER PT J AU Green, MA Pan, H Prestemon, SO Strauss, B Kashikhin, V AF Green, M. A. Pan, H. Prestemon, S. O. Strauss, B. Kashikhin, V. TI Unbalanced Quenching in a Long Solenoid With Separately Powered Coils SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Eddy current; OPERA-3D; quench; superconducting magnet ID MICE; DESIGN AB Quenches were simulated for a long solenoid composed of live separately powered coils. Two coils, at one end of the magnet, are separately powered by 300-A power supplies, so that the uniform field section of the magnet is matched to the rest of a physics experiment. The three coils in the uniform field end are connected in series and are powered by a single 300-A power supply. The two end coils of the three-coil set use separate 60-A power supplies to trim the uniform field. Quench back from the 6061-Al mandrel is an important part of the quench protection for the three-coil section. Quench propagation from one separately powered coil to the next was simulated by using the Opera3D program of the Vector Fields. Low current quench. simulations showed that some coils carry currents for a long time before quenching. Since the magnet does not quench all at once, there can be unbalanced forces developed in the coils and the thermal shield. C1 [Green, M. A.; Pan, H.; Prestemon, S. O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Strauss, B.] US DOE, Off Sci, Germantown, MD 20874 USA. [Kashikhin, V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Green, MA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM magreen@lbl.gov; hengpan@lbl.gov; soprestemon@lbl.gov; bruce.strauss@science.doe.gov; kash@fnal.gov FU Office of Science, US-DOE under DOE [DE-AC02-05CH11231] FX This work is supported by the Office of Science, US-DOE under DOE contract DE-AC02-05CH11231. NR 12 TC 1 Z9 1 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4102105 DI 10.1109/TASC.2013.2285943 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500132 ER PT J AU Green, MA AF Green, Michael A. TI Cooling and Cooling-Down MgB2 and HTS Magnets Using a Hydrogen Thermal Siphon Loop and Coolers Operating From 15 K to 28 K SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE LH2 cooling loop; MgB2 and high-temperature superconducting (HTS) magnets AB MgB2 and high-temperature superconducting (HTS) magnets might be better cooled using a cooler if they operate in the temperature range from 15 to 40 K. Liquid neon has been considered as a fluid for cooling such magnets. Neon can only be used in the upper part of the temperature range; neon is scarce and has poor thermal properties when compared to hydrogen or helium. For many MgB2 and HTS magnet applications, liquid hydrogen is an ideal working fluid. Liquid hydrogen has a high heat of vaporization, a high specific heat, and excellent heat transfer properties. This paper describes the kind of thermal siphon cooling loop that can be used for cooling-down a superconducting magnet and keeping it cold in the range from 15 to 28 K. This report will present a method for using hydrogen gas to cool-down and cool a magnet that is relatively safe. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Green, MA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM magreen@lbl.gov FU U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported in part by the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 14 TC 2 Z9 2 U1 0 U2 22 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 0501304 DI 10.1109/TASC.2013.2281222 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500013 ER PT J AU Gupta, R Anerella, M Ghosh, A Joshi, P Kirk, H Lalitha, SL Palmer, R Sampson, W Wanderer, P Witte, H Shiroyanagi, Y Cline, D Garren, A Kolonko, J Scanlan, R Weggel, R AF Gupta, Ramesh Anerella, Michael Ghosh, Arup Joshi, Piyush Kirk, Harold Lalitha, Seetha Lakshmi Palmer, Robert Sampson, William Wanderer, Peter Witte, Holger Shiroyanagi, Yuko Cline, David Garren, Alper Kolonko, Jim Scanlan, Ronald Weggel, Robert TI High Field HTS Solenoid for a Muon Collider-Demonstrations, Challenges, and Strategies SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE High field magnets; high temperature superconductors (HTS); muon collider; solenoid AB The proposed muon collider requires very high field solenoids in the range of 30-50 T. The use of High Temperature Superconductors (HTS) operating at low temperature (similar to 4 K) is essential for achieving such high fields in a superconducting magnet. As a part of this program, we have built and successfully tested a 25 mm aperture HTS insert generating > 16 T peak field (the highest field ever achieved in an all-HTS magnet), a 100 mm aperture HTS midsert generating > 9 T peak field, and designed an outsert with a conventional Low Temperature Superconductor (LTS) to provide additional field. In addition to presenting the test results and progress made in support technologies, we will also discuss a number of challenges associated with the high field HTS magnets. Finally, we present a set of strategies to overcome some of those challenges. C1 [Gupta, Ramesh; Anerella, Michael; Ghosh, Arup; Joshi, Piyush; Kirk, Harold; Lalitha, Seetha Lakshmi; Palmer, Robert; Sampson, William; Wanderer, Peter; Witte, Holger] Brookhaven Natl Lab, Upton, NY 11973 USA. [Shiroyanagi, Yuko] Argonne Natl Lab, Lemont, IL 60439 USA. [Cline, David; Garren, Alper; Kolonko, Jim; Scanlan, Ronald; Weggel, Robert] Particle Beam Lasers Inc, Northridge, CA 91324 USA. RP Gupta, R (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM gupta@bnl.gov FU MAP FX We acknowledge contributions of our technical staff (particularly Glenn Jochen and Dean Ice), discussions with SuperPower (Drew Hazelton and Trudy Lehner) and support from MAP (Mark Palmer and John Tompkins). NR 20 TC 8 Z9 8 U1 0 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4301705 DI 10.1109/TASC.2013.2288806 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500179 ER PT J AU Hafalia, A Caspi, S Felice, H Brouwer, L Prestemon, S Godeke, A AF Hafalia, Aurelio Caspi, Shlomo Felice, Helene Brouwer, Lucas Prestemon, Soren Godeke, Arno TI The Structural Design for a "Canted Cosine-Theta" Superconducting Dipole Coil and Magnet Structure-CCT1 SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Bladder & key; canted cosine-theta (CCT); dipole; superconducting AB The Superconducting Magnet Group, at Lawrence Berkeley National Laboratory (LBNL), has been developing a canted cosine-theta (CCT) superconducting dipole coil as well as the coil's supporting magnet structure. This contribution reports on the progress in the development of the coil's winding mandrel and its fabrication options. A comprehensive study of the coil's Lorentz farces was performed to validate the winding mandrel's "stress interception" attributes. The design of the external structure and the application of the "Bladder & Key" technology is also discussed. Additionally, the application of these studies to a curved ion-therapy CCT dipole magnet is reported. C1 [Hafalia, Aurelio; Caspi, Shlomo; Felice, Helene; Brouwer, Lucas; Prestemon, Soren] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Godeke, Arno] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Superconducting Magnets Grp, Berkeley, CA 94720 USA. RP Hafalia, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM RRHafalia@lbl.gov FU Office of Science, High Energy Physics, U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [DGE 1106400] FX This work was supported in part by the Director, Office of Science, High Energy Physics, U.S. Department of Energy under Contract DE-AC02-05CH11231 and by the National Science Foundation under Grant DGE 1106400. NR 6 TC 0 Z9 0 U1 2 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4001904 DI 10.1109/TASC.2013.2284429 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500087 ER PT J AU Ivanyushenkov, Y Doose, C Fuerst, J Hasse, Q Kasa, M Shiroyanagi, Y AF Ivanyushenkov, Y. Doose, C. Fuerst, J. Hasse, Q. Kasa, M. Shiroyanagi, Y. TI Test Results of a Planar Superconducting Undulator for the Advanced Photon Source SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Storage rings; superconducting magnets; synchrotron radiation; undulators ID APS AB The first superconducting planar undulator (SCUO) at the Advanced Photon Source (APS) has been built with the goal of providing the APS users with higher photon fluxes at higher photon energies. The undulator magnetic structure is wound with NbTi superconducting wire. The magnet is indirectly cooled by liquid helium circulating in a closed circuit. The cooling of the helium circuit, the current leads, and the thermal shields are provided by four cryocoolers. After a rigorous stand-alone cold test the undulator has been installed into the APS storage ring. The results of the SCUO cold test are presented in this paper. C1 [Ivanyushenkov, Y.; Doose, C.; Fuerst, J.; Hasse, Q.; Kasa, M.; Shiroyanagi, Y.] Argonne Natl Lab, Lemont, IL 60439 USA. RP Ivanyushenkov, Y (reprint author), Argonne Natl Lab, Lemont, IL 60439 USA. EM yury@aps.anl.gov FU U.S. Department of Energy, Office of Science [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Science, under Contract No. DE-AC02-06CH11357. NR 7 TC 5 Z9 5 U1 2 U2 15 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4102004 DI 10.1109/TASC.2014.2303211 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500131 ER PT J AU Kahn, SA Anerella, M Dudas, A Flanagan, G Gupta, RC Nipper, J Schmalzle, J AF Kahn, S. A. Anerella, M. Dudas, A. Flanagan, G. Gupta, R. C. Nipper, J. Schmalzle, J. TI A Dipole Magnet for the FRIB High Radiation Environment Nuclear Fragment Separator SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE High-temperature superconductor (HTS); HTS coils; HTS magnets AB Magnets in the fragment separator region of the Facility for Rare Isotope Beams (FRIB) would be subjected to extremely high radiation and heat loads. The critical elements of FRIB are the dipole magnets, which are used to select the desired isotopes. Since conventional NiTi and Nb3Sn superconductors must operate at similar to 4.5 K, the removal of the high heat load generated in these magnets using these superconductors would be difficult. High-temperature superconductors have been shown to be radiation resistant and can operate in the 40 K temperature range where heat removal is an order of magnitude more efficient than at 4.5 K. The coils of this magnet must accommodate the large curvature from the 30 degrees bend that the magnet will subtend. This paper will describe the magnetic and conceptual design for these magnets. C1 [Kahn, S. A.; Dudas, A.; Flanagan, G.; Nipper, J.] Muons Inc, Batavia, IL 60510 USA. [Anerella, M.; Gupta, R. C.; Schmalzle, J.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Kahn, SA (reprint author), Muons Inc, Batavia, IL 60510 USA. EM kahn@muonsinc.com FU U.S. Department of Energy [DE-SC-0006273, DE-AC02-98CH10886] FX This work was supported in part by the U.S. Department of Energy under Grants DE-SC-0006273 and DE-AC02-98CH10886. NR 6 TC 1 Z9 1 U1 1 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4001004 DI 10.1109/TASC.2013.2281031 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500078 ER PT J AU Kashikhin, V Brown, B Morris, D Robotham, W Tartaglia, M Thurman-Keup, R Velev, G Volk, J Zagel, J AF Kashikhin, V. Brown, B. Morris, D. Robotham, W. Tartaglia, M. Thurman-Keup, R. Velev, G. Volk, J. Zagel, J. TI Permanent Magnet for a Beam Profile Monitor SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Design; fabrication; ionization profile monitor (IPM); magnetic measurements; permanent magnet (PM) AB The ionization beam profile monitor system for the Main Injector ring is under construction at Fermi lab. The beam profile detector unit is installed inside the main magnet gap. The magnet has a novel configuration previously used for this type of application in the Main Injector. However, this magnet is far more compact with a higher quality field. Most flux from the main gap returns symmetrically along the beam pipe through two side gaps. It provides nearly full compensation to yield integrated magnetic field close to zero, and helps eliminate distortions of the circulating proton beam. The permanent magnet poles are assembled from SmCo5 bricks (0.5 '' x 1 '' x 2 ''), which have good thermal stability and reasonable cost. Further integrated field reduction is obtained by the use of a ferromagnetic plate that shunts the main gap. The plate position and flux shunting are adjusted in conjunction with magnetic measurements. Three permanent magnets were successfully fabricated and measured. Results of the magnet design, 3-D FEA analysis, and magnetic measurements by the rotational coil and the 3-D Hall probe will be presented. C1 [Kashikhin, V.; Brown, B.; Morris, D.; Robotham, W.; Tartaglia, M.; Thurman-Keup, R.; Velev, G.; Volk, J.; Zagel, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Kashikhin, V (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM kash@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy FX This work was supported in part by Fermi Research Alliance, LLC, under Contract DE-AC02-07CH11359 with the U.S. Department of Energy. NR 13 TC 0 Z9 0 U1 1 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 0501004 DI 10.1109/TASC.2013.2280924 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500010 ER PT J AU Kashikhin, VS Elouadhiri, L Ghoshal, PK Kashy, D Makarov, A Pastor, O Quettier, L Velev, G Wiseman, M AF Kashikhin, V. S. Elouadhiri, L. Ghoshal, P. K. Kashy, D. Makarov, A. Pastor, O. Quettier, L. Velev, G. Wiseman, M. TI Torus CLAS12-Superconducting Magnet Quench Analysis SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Eddy currents; failure analysis; Lorentz forces; magnetic field; quench; superconducting magnet; 3-D simulations AB The JLAB Torus magnet system consists of six superconducting trapezoidal racetrack-type coils assembled in a toroidal configuration. These coils are wound with SSC-36 Nb-Ti superconductor and have the peak magnetic field of 3.6 T. The first coil manufacturing based on the JLAB design began at FNAL. The large magnet system dimensions (8 m diameter and 14 MJ of stored energy) dictate the need for quench protection. Each coil is placed in an aluminum case mounted inside a cryostat and cooled by 4.6 K supercritical helium gas flowing through a copper tube attached to the coil ID. The large coil dimensions and small cryostat thickness drove the design to challenging technical solutions, suggesting that Lorentz forces due to transport currents and eddy currents during quench and various failure scenarios are analyzed. The paper covers the magnet system quench analysis using the OPERA3d Quench code. C1 [Kashikhin, V. S.; Makarov, A.; Velev, G.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Elouadhiri, L.; Ghoshal, P. K.; Kashy, D.; Pastor, O.; Quettier, L.; Wiseman, M.] Jefferson Natl Accelerator Lab, Newport News, VA 23606 USA. RP Kashikhin, VS (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM kash@fnal.gov NR 7 TC 3 Z9 3 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4500405 DI 10.1109/TASC.2014.2299531 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500208 ER PT J AU Khodak, AE Martovetsky, NN Smirnov, AV Titus, PH AF Khodak, Andrei E. Martovetsky, Nicolai N. Smirnov, Alexandre V. Titus, Peter H. TI Analysis of TF Insert Coil SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Computational modeling; finite element methods; numerical analysis; superconducting magnets ID SOLENOID MODEL COIL AB The United States ITER Project Office (USIPO) is responsible for the design of the oroidal Field (TF) insert coil, which will allow validation of the performance of significant lengths of the conductors to be used in the full scale TF coils in relevant conditions of field, current density and mechanical strain. The Japan Atomic Energy Agency (JAEA) will build the TF insert which will be tested at the central solenoid model coil (CSMC) test facility at JAEA, Naka, Japan. Three dimensional mathematical model of TF insert was created based on the initial design geometry data, and included the following features: orthotropic material properties of superconductor material and insulation; external magnetic field from CSMC, temperature dependent properties of the materials; precompression and plastic deformation in lap joint. Major geometrical characteristics of the design were preserved including cable jacket and insulation shape, mandrel outline, and support clamps and spacers. The model is capable of performing coupled structural, thermal, and electromagnetic analysis using ANSYS. Numerical simulations were performed for room temperature conditions; cool down to 4 K, and the operating regime with 68 kA current at 11.8 Testa background field. Numerical simulations led to the final design of the coil producing the required strain levels on the cable, while simultaneously satisfying the ITER magnet structural design criteria. C1 [Khodak, Andrei E.; Titus, Peter H.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Martovetsky, Nicolai N.; Smirnov, Alexandre V.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Khodak, AE (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM akhodak@pppl.gov RI Smirnov, Alexander/G-3276-2014 FU U.S. Department of Energy [DE-AC02-09CH11466, DE-AC05-00OR22725] FX This manuscript has been authored by PPPL under contract DE-AC02-09CH11466 and UT-Battelle, LLC under contract DE-AC05-00OR22725 with the U.S. Department of Energy. All US activities are managed by the US ITER Project Office, hosted by Oak Ridge National laboratory with partner labs Princeton Plasma Physics Laboratory (PPPL) and Savannah River National Laboratory. The project is being accomplished through a collaboration of DOE Laboratories, Universities and industry. 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 the United States Government puposes. NR 9 TC 1 Z9 1 U1 0 U2 19 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4201304 DI 10.1109/TASC.2013.2284433 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500145 ER PT J AU Lalitha, SL Sampson, WB Gupta, RC AF Lalitha, S. L. Sampson, W. B. Gupta, R. C. TI Test Results of High Performance HTS Pancake Coils at 77 K SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Critical current; high temperature superconductor (HTS) solenoid; low resistance splice; pancake coil AB A series of pancake coils using several kilometers of second generation (2G) (RE)BCO conductor has been fabricated as a part of a R&D program to build a large aperture high field solenoid for energy storage application. This paper discusses the preparation of double pancake coils and the test results at 77 K before assembling the final magnet. These tests played an important role in assuring: the quality of conductors, coil winding and assembly, and integrity of splices within the coils. C1 [Lalitha, S. L.; Sampson, W. B.; Gupta, R. C.] Brookhaven Natl Lab, Superconducting Magnet Div, Upton, NY 11973 USA. RP Lalitha, SL (reprint author), Brookhaven Natl Lab, Superconducting Magnet Div, Upton, NY 11973 USA. EM slakshmi@bnl.gov FU Brookhaven Science Associates, LLC [DE-AC02-98CH10886]; U.S. Department of Energy FX This work was supported by Brookhaven Science Associates, LLC under Contract DE-AC02-98CH10886 with the U.S. Department of Energy. NR 4 TC 2 Z9 2 U1 0 U2 19 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4601305 DI 10.1109/TASC.2013.2287396 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500221 ER PT J AU Lopes, ML Ambrosio, G Buehler, M Coleman, R Evbota, D Khalatian, V Lamm, M Miller, J Moretti, G Page, T Tartaglia, M AF Lopes, M. L. Ambrosio, G. Buehler, M. Coleman, R. Evbota, D. Khalatian, V. Lamm, M. Miller, J. Moretti, G. Page, T. Tartaglia, M. TI Studies on the Magnetic Center of the Mu2e Solenoid System SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Beam transport; magnetic center; solenoids; superconducting magnets AB The definition of the magnetic center in the Mu2e solenoid system is not trivial given the S-shaped nature of the transport solenoid. Moreover, due to the fringe field of the larger bore adjacent magnets-production solenoid and the detector solenoid-the magnetic center does not coincide with the geometric center of the system. The reference magnetic center can be obtained by tracking a low-momentum charged particle through the whole system. This paper will discuss this method and will evaluate the deviations from the nominal magnetic center given the tolerances in the manufacturing and the alignment of the coils. Methods for the correction of the magnetic center will also be presented. C1 [Lopes, M. L.; Ambrosio, G.; Buehler, M.; Coleman, R.; Evbota, D.; Khalatian, V.; Lamm, M.; Moretti, G.; Page, T.; Tartaglia, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Miller, J.] Boston Univ, Boston, MA 02215 USA. RP Lopes, ML (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM mllopes@fnal.gov FU Fermi Research Alliance under DOE [DE-AC02-07CH11359] FX This work was supported in part by Fermi Research Alliance under DOE Contract DE-AC02-07CH11359. NR 6 TC 1 Z9 1 U1 0 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4100605 DI 10.1109/TASC.2013.2280898 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500117 ER PT J AU Lopes, ML Ambrosio, G Buehler, M Coleman, R Evbota, D Feher, S Kashikhin, VV Lamm, M Miller, J Moretti, G Ostojic, R Page, T Popp, J Tartaglia, M AF Lopes, M. L. Ambrosio, G. Buehler, M. Coleman, R. Evbota, D. Feher, S. Kashikhin, V. V. Lamm, M. Miller, J. Moretti, G. Ostojic, R. Page, T. Popp, J. Tartaglia, M. TI Tolerance Studies of the Mu2e Solenoid System SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Detector solenoid (DS); muon-to-electron (Mu2e) experiment; superconducting magnets; transport solenoid (TS) AB The muon-to-electron conversion experiment at Fermilab is designed to explore charged lepton flavor violation. It is composed of three large superconducting solenoids, namely, the production solenoid, the transport solenoid, and the detector solenoid. Each subsystem has a set of field requirements. Tolerance sensitivity studies of the magnet system were performed with the objective of demonstrating that the present magnet design meets all the field requirements. Systematic and random errors were considered on the position and alignment of the coils. The study helps to identify the critical sources of errors and which are translated to coil manufacturing and mechanical support tolerances. C1 [Lopes, M. L.; Ambrosio, G.; Buehler, M.; Coleman, R.; Evbota, D.; Feher, S.; Kashikhin, V. V.; Lamm, M.; Moretti, G.; Page, T.; Tartaglia, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Miller, J.] Boston Univ, Boston, MA 02215 USA. [Ostojic, R.] European Org Nucl Res CERN, CH-1217 Meyrin, Switzerland. [Popp, J.] CUNY York Coll, Jamaica, NY 11451 USA. RP Lopes, ML (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM mllopes@fnal.gov NR 6 TC 2 Z9 2 U1 0 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 3800105 DI 10.1109/TASC.2013.2278844 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500054 ER PT J AU Madur, A Arbelaez, D Bailey, B Biocca, A Black, A Casey, P Chun, C Colomb, D Humphries, D Li, N Marks, S Nishimura, H Pappas, C Petermann, K Prestemon, S Rawlins, A Robin, D Scarvie, T Schlueter, R Steier, C Troy, S Wan, W Williams, E Lixin, Y Zhou, Q Jin, J Zhang, J Chen, C Wen, Y Wu, J AF Madur, A. Arbelaez, D. Bailey, B. Biocca, A. Black, A. Casey, P. Chun, C. Colomb, D. Humphries, D. Li, N. Marks, S. Nishimura, H. Pappas, C. Petermann, K. Prestemon, S. Rawlins, A. Robin, D. Scarvie, T. Schlueter, R. Steier, C. Troy, S. Wan, W. Williams, E. Lixin, Y. Zhou, Q. Jin, J. Zhang, J. Chen, C. Wen, Y. Wu, J. TI The Installation and Commissioning of the Advanced Light Source Combined-Function Harmonic Sextupoles for the Low Emittance Upgrade SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Combined-function sextupole; hysteresis; magnet installation AB The Advanced Light Source (ALS) is a third-generation light source in operation since 1993. This light source is providing state-of-the-art performance to more than 40 beamlines and their users, due to the upgrades that have been completed over the last few years. The storage ring upgrade project that is developed here will allow the ALS to provide the 40 beamline users with higher photon beam brightness (factor of 2 or 3) by having its storage ring lattice modified. Forty-eight harmonic sextupole magnets with integrated dipole correctors and skew quadrupole coils will be introduced, which will require a level of installation activity not seen at the ALS since its original construction in 1991. Introducing new combined-function magnets in an existing storage ring is a challenge due to the limited space available and a balance had to be found between magnet performance and spatial constraints. After an introduction reviewing the characteristics of the three design families of the 48 combined-function magnets, the magnet fabrication and installation are developed along with analyses based on the magnetic measurements and the ALS storage ring commissioning results. C1 [Madur, A.; Arbelaez, D.; Bailey, B.; Biocca, A.; Black, A.; Casey, P.; Chun, C.; Colomb, D.; Humphries, D.; Li, N.; Marks, S.; Nishimura, H.; Pappas, C.; Petermann, K.; Prestemon, S.; Rawlins, A.; Robin, D.; Scarvie, T.; Schlueter, R.; Steier, C.; Troy, S.; Wan, W.; Williams, E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Lixin, Y.; Zhou, Q.; Jin, J.; Zhang, J.; Chen, C.; Wen, Y.; Wu, J.] Shanghai Inst Appl Phys, Shanghai 201203, Peoples R China. RP Madur, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM amadur@lbl.gov FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director of the Office of Science of the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 8 TC 0 Z9 0 U1 1 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 JUN PY 2014 VL 24 IS 3 AR 4100404 DI 10.1109/TASC.2013.2283014 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500115 ER PT J AU Manfreda, G Ambrosio, G Marinozzi, V Salmi, T Sorbi, M Volpini, G AF Manfreda, Giulio Ambrosio, Giorgio Marinozzi, Vittorio Salmi, Tiina Sorbi, Massimo Volpini, Giovanni TI Quench Protection Study of the Nb3Sn Low-beta Quadrupole for the LHC Luminosity Upgrade SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Niobium compounds; protection; superconducting accelerators AB In the framework of the HiLumi program, the development of high field (conductor peak field 12 T) and large aperture (150 mm in diameter) superconducting quadrupoles is under way. These quadrupoles will provide the final focusing of the beam in the interaction region of the Large Hadron Collider (LHC), in the program of the luminosity upgrade. The quench protection of these magnets is a challenging aspect, mainly for the magnet dimension (8 m long), for the large value of the stored magnetic energy (12 MJ) and for the use of Nb3Sn as conductor. In this paper, the quench protection study is reported, comparing results obtained with different codes for quench analysis. The parametric analysis of the transition under different conditions for the protection scheme is also presented. C1 [Manfreda, Giulio] Univ Udine, Dipartimento Ingn Elettr, I-33100 Udine, Italy. [Ambrosio, Giorgio] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Salmi, Tiina] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Marinozzi, Vittorio; Sorbi, Massimo; Volpini, Giovanni] Univ Milan, I-20090 Milan, Italy. [Marinozzi, Vittorio; Sorbi, Massimo; Volpini, Giovanni] INFN LASA, I-20090 Milan, Italy. RP Manfreda, G (reprint author), Univ Udine, Dipartimento Ingn Elettr, I-33100 Udine, Italy. EM manfreda.giulio@spes.uniud.it FU European Commission [284404]; KEK, Japan; U.S. LHC Accelerator Research Program (LARP) through U.S. Department of Energy [DE-AC02-07CH11359, DE-AC02-98CH10886, DE-AC02-05CH11231] FX This work was supported in part by the European Commission under the FP7 project HiLumi LHC, GA no. 284404; co-funded by KEK, Japan, and by the U.S. LHC Accelerator Research Program (LARP) through U.S. Department of Energy Contract DE-AC02-07CH11359, Contract DE-AC02-98CH10886; and Contract DE-AC02-05CH11231. NR 17 TC 11 Z9 11 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4700405 DI 10.1109/TASC.2013.2285099 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500243 ER PT J AU Marchevsky, M Caspi, S Cheng, DW Dietderich, DR DiMarco, J Felice, H Ferracin, P Godeke, A Hafalia, AR Joseph, J Lizarazo, J Roy, PK Sabbi, G Salmi, T Turqueti, M Wang, X Prestemon, S AF Marchevsky, M. Caspi, S. Cheng, D. W. Dietderich, D. R. DiMarco, J. Felice, H. Ferracin, P. Godeke, A. Hafalia, A. R. Joseph, J. Lizarazo, J. Roy, P. K. Sabbi, G. Salmi, T. Turqueti, M. Wang, X. Prestemon, S. TI Test of the High-Field Nb3Sn Dipole Magnet HD3b SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnets; field quality; quench diagnostics AB We report test results for the one meter long dipole HD3b, a block-type accelerator quality Nb3Sn magnet built at LBNL with operational bore fields in the range of 13-15 T. The magnet is an upgrade of the previously reported HD2 and HD3a versions, with several modifications implemented to improve conductor positioning, reduce cable "hard-way" bending radius, and strengthen electrical insulation between cables and coil parts. The magnet exhibited long training behavior, but showed a good "memory" of the trained state upon thermal cycling. Ramp-rate dependence of the quench current, field quality performance characteristics, and protection heater studies were conducted. Quench propagation velocity and quench locations were determined based on the voltage signals; quench localization was further improved using inductive quench antenna and acoustic emission sensors. Short- and long-term acoustic precursors to quenching were observed C1 [Marchevsky, M.; Caspi, S.; Cheng, D. W.; Dietderich, D. R.; Felice, H.; Godeke, A.; Hafalia, A. R.; Joseph, J.; Lizarazo, J.; Roy, P. K.; Sabbi, G.; Salmi, T.; Turqueti, M.; Wang, X.; Prestemon, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [DiMarco, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Ferracin, P.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. RP Marchevsky, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM mmartchevskii@lbl.gov; dimarco@fnal.gov; paolo.ferracin@cern.ch FU U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 13 TC 5 Z9 5 U1 2 U2 37 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4002106 DI 10.1109/TASC.2013.2285881 PG 6 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500088 ER PT J AU Martovetsky, NN Radovinsky, AL AF Martovetsky, Nicolai N. Radovinsky, Alexey L. TI ITER CS Quench Detection System and Its Qualification by Numerical Modeling SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Central solenoid (CS); ITER; quench detection (QD) ID NORMAL-ZONE; SENSORS AB The ITER Central Solenoid (CS) magnet needs to be protected against overheating of the conductor in the event of the occurrence of a normal zone (NZ). Due to a large amount of stored energy and slow NZ propagation, the NZ needs to he detected and the switchyard needs to open the breakers within 2 s after detection of the NZ. The CS will be discharged on a dump resistor with a time constant of 7.5 s. During operation of the CS and its interaction with the poloidal field (PF) coils and plasma current, the CS experiences large inductive voltages from multiple sources, including nonlinear signals from eddy currents in the vacuum vessel and plasma current variation, that makes the task of detecting the resistive signal even more difficult. This inductive voltage needs to be cancelled by quench detection (QD) hardware (e.g., bridges, converters, filters, processors) and appropriate processing of the QD signals to reliably detect NZ initiation and propagation. Two redundant schemes are proposed as the baseline for the CS QD System: 1) A scheme with Regular Voltage Taps (RIFF) from triads of Double Pancakes (DP) supplemented by Central Difference Averaging (CDA) and by digital suppression of the inductive voltage from all active coils (the CS and PF coils). Voltage taps are taken from helium outlets at the CS outer diameter. 2) A scheme with Cowound Voltage Taps (CVTs) taken from cowound wires routed from the helium inlet at the CS inner diameter. Summary of results of the numerical modeling of the performance of both baseline CS QD systems is presented in this paper. C1 [Martovetsky, Nicolai N.] Lawrence Livermore Natl Lab, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Radovinsky, Alexey L.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. RP Martovetsky, NN (reprint author), Lawrence Livermore Natl Lab, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM martovetskyn@ornl.gov; radovinsky@psfc.mit.edu FU Oak Ridge National laboratory [DE-AC05-00OR22725]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX Manuscript received July 14, 2013; accepted October 24, 2013. Date of publication November 25, 2013; date of current version December 12, 2013. This work was supported by Oak Ridge National laboratory under Contract DE-AC05-00OR22725 and by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 13 TC 3 Z9 3 U1 1 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 JUN PY 2014 VL 24 IS 3 AR 4202104 DI 10.1109/TASC.2013.2292304 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500153 ER PT J AU Martovetsky, NN Irick, DK AF Martovetsky, Nicolai N. Irick, David K. TI Effect of Chrome Coating on Resistance of Sintered Joint for ITER Central Solenoid SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Electrical joints; electrical resistance; ITER Central Solenoid (CS); superconducting cable-in-conduit conductor AB The ITER Central Solenoid has 36 interpancake joints. The joints are required to have a resistance below 4 nOhm at 45 kA at 4.5 K. The US ITER Project Office developed and qualified a sintered joint for the interpancake joints that consistently showed exceptionally low dc resistance of 0.13 nOhm at up to 80 kA in the self-field of about 1.5 T. To provide a good current distribution in the joint, we removed chrome plating from the strands in this area. We built and tested four samples of the sintered joints before 2012. Such a low resistance prompted an investigation of the possibility of leaving the chromium on the strands during the joint preparation and still staying well below allowable resistance. Although removal of the chrome plating is not a very labor-intensive or time-consuming operation, it requires handling of harmful fumes and produces a solution containing hexavalent Cr, which is a hazardous substance. Elimination of the Cr removal step is a simplification of the fabrication process and therefore is a desirable act. We built two identical racetrack samples of the sintered joint and tested them in our joint test apparatus. One sample had Cr removed from the strands, the other had Cr intact. This paper provides a description of the test samples, fabrication steps, and results of the dc resistance measurements. C1 [Martovetsky, Nicolai N.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Martovetsky, Nicolai N.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Irick, David K.] Univ Tennessee, Magnet Dev Lab, Knoxville, TN 37932 USA. RP Martovetsky, NN (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM martovetskyn@ornl.gov; dki@utk.edu FU US Department of Energy by Oak Ridge National Laboratory [DE-AC05-00OK22725]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the US Department of Energy by Oak Ridge National Laboratory under Contract DE-AC05-00OK22725 and by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 7 TC 0 Z9 0 U1 0 U2 16 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4800303 DI 10.1109/TASC.2013.2281526 PG 3 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500257 ER PT J AU Muratore, J Bruno, D Escallier, J Fischer, W Ganetis, G Gupta, R Jain, A Joshi, P Wanderer, P AF Muratore, J. Bruno, D. Escallier, J. Fischer, W. Ganetis, G. Gupta, R. Jain, A. Joshi, P. Wanderer, P. TI Test Results for the Electron Lens Superconducting Magnets at RHIC SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator; electron lens; magnetic measurements; solenoids; superconducting magnets AB In order to partially compensate for head-on beam-beam effects from polarized proton collisions in the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory (BNL), two electron lenses (e-Lens) have been manufactured at BNL. For each e-Lens, one for each of the two RHIC rings, a low energy electron beam and the high energy proton beam will interact in a 2.5-m-long superconducting solenoid, which is also accompanied by four other smaller solenoids and 12 corrector dipoles, all of which are superconducting and provide various tuning and corrective functions during operations. The design of this multicoil assembly is a unique and complex one, and likewise, the simultaneous operation of the coils at 4.5 K is also challenging, due to high inductance and individual magnetic fields, which interact with each other. This paper reports on the results from extensive ramp and quench tests at 4.5 K, and the proper operating procedures determined from these tests. C1 [Muratore, J.; Escallier, J.; Ganetis, G.; Gupta, R.; Jain, A.; Joshi, P.; Wanderer, P.] Brookhaven Natl Lab, Superconducting Magnet Div, Upton, NY 11973 USA. [Bruno, D.; Fischer, W.] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. RP Muratore, J (reprint author), Brookhaven Natl Lab, Superconducting Magnet Div, Upton, NY 11973 USA. EM muratore@bnl.gov FU U.S. Department of Energy [DE-AC02-98CH10886] FX This work was supported by the U.S. Department of Energy under Contract DE-AC02-98CH10886. NR 8 TC 1 Z9 1 U1 0 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4100505 DI 10.1109/TASC.2013.2282933 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500116 ER PT J AU Nguyen, DN Ashworth, SP AF Nguyen, Doan N. Ashworth, Stephen P. TI High-Temperature Superconducting Undulators for Future X-ray Free Electron Laser Systems SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE High-temperature superconducting (HTS) undulator; wiggler magnet; YBCO coils AB A free electron laser (FEL) can be used to produce high intensity X-rays, or other monochromatic radiation for a number of purposes. Two primary components, in terms of size and expense, of an FEL system are an electron accelerator and undulator. Reducing undulator period without reducing its magnetic field would allow a reduction in the electron beam energy and potentially reduce the total cost and complexity of FELs. In this paper, finite-element modeling and experimental approaches were used to investigate the feasibility of using high-temperature superconducting (HTS) conductor to create tunable, liquid nitrogen cooled undulators with shorter periodicity. A prototype undulator with three periods was fabricated and tested. Hiperco 50 A structures with machined grooves were used as the magnetic cores. Commercial YBCO tapes were used to wind the magnetizing coils in the grooves of the magnetic core. The undulator was tested and measured in subcooled liquid nitrogen at 65 K. Peak magnetic fields of 0.77 T with a periodicity of 14 mm were attained. Our simulations indicate that by using optimally processed magnetic core and HTS wires, fields of 1 T or higher can be achieved. C1 [Nguyen, Doan N.; Ashworth, Stephen P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Nguyen, DN (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM doan@lanl.gov; ashworth@lanl.gov FU Los Alamos National Laboratory LDRD program [20120603ER] FX This work was supported by the Los Alamos National Laboratory LDRD program under Grant 20120603ER. NR 16 TC 0 Z9 0 U1 1 U2 16 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4602805 DI 10.1109/TASC.2014.2298312 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500236 ER PT J AU Pan, H Prestemon, S Virostek, S Luo, T Pilipenko, R AF Pan, H. Prestemon, S. Virostek, S. Luo, T. Pilipenko, R. TI Quench Voltage Analysis for a Long Superconducting Solenoids Group SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Cold diode; Muon Ionization Cooling Experiment (MICE); quench; superconducting; voltage transient AB A solid understanding and accurate analysis of the voltage transients in the quench process of superconducting magnets is the basis for verifying quench protection system design. This paper presents an analysis of the voltage spike that triggered a quench in a serially connected set of superconducting solenoid magnets, which are protected by a stack of cold diodes and dump resistors. The voltage development associated with the normal zone growth is analyzed. The magnets were trained close to the full design current and all the terminal voltages of the coils were captured by a specialized quench detection system. In the analyses described in this paper, the different stages of the voltage transient development will be detailed. Comparisons of simulations and the training results are provided to substantiate the mechanism of the quench voltage behavior in this passive protection scheme. C1 [Pan, H.; Prestemon, S.; Virostek, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Luo, T.] Univ Mississippi, University, MS 38677 USA. [Pilipenko, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Pan, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM hengpan@lbl.gov; soprestemon@lbl.gov; spvirostek@lbl.gov; tluo@lbl.gov; pilipen@fnal.gov FU Office of Science, US-DOE under DOE [DE-AC02-05CH11231] FX This work was supported by the Office of Science, US-DOE under DOE Contract DE-AC02-05CH11231. NR 9 TC 0 Z9 0 U1 0 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4700205 DI 10.1109/TASC.2013.2282831 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500241 ER PT J AU Piekarz, H Blowers, J Hays, S Shiltsev, V AF Piekarz, Henryk Blowers, Jamie Hays, Steven Shiltsev, Vladimir TI Design, Construction, and Test Arrangement of a Fast-Cycling HTS Accelerator Magnet SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Conventional power leads; fast-cycling accelerator magnet; HTS power cable; SC cable power losses AB Design, fabrication, and assembly of a novel fast-cycling accelerator magnet is presented. A short-sample magnet is powered with a single-turn HTS cable capable to carry 80-kA current up to a temperature of 20 K. This allows for a (13-15) K margin when using the operational temperature of (5-7) K. The availability of such a wide temperature margin for a fast cycling magnet constitutes the most necessary parameter for prevention and control of the fast-cycling magnet quench. Therefore, the HTS conductors have unsurpassed advantage over the LTS ones for which the maximum temperature margin is typically < 2 K. The maximum possible generated field in the 40-mm test magnet gap is 1.75 T. The applied conventional leads and the power supply, however, allow only for the sin-wave 24-kA current of 20-Hz repetition rate, thus limiting magnet tests to the B-field of 0.5 T with a maximum cycling rate of 20 T/s. The critical aspects of cable construction and the splicing connection to the power leads are described. Tentative power losses of the proposed HTS-based accelerator magnet in possible applications for the proton and muon accelerators are presented. C1 [Piekarz, Henryk; Blowers, Jamie; Hays, Steven; Shiltsev, Vladimir] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Piekarz, H (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM hpiekarz@fnal.gov FU Fermi Research Alliance, LLC under DOE [DE-AC02-07CH11359] FX This work was supported in part by the Fermi Research Alliance, LLC under DOE Contract DE-AC02-07CH11359. NR 6 TC 1 Z9 1 U1 1 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4001404 DI 10.1109/TASC.2013.2285093 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500082 ER PT J AU Rochepault, E Arbelaez, D Prestemon, SO Schlueter, RD AF Rochepault, E. Arbelaez, D. Prestemon, S. O. Schlueter, R. D. TI Error Analysis and Field Correction Methods in Superconducting Undulators SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Correction; free electron laser (FEL); magnetic design; superconducting; tuning; undulators ID PERIOD LENGTH; FABRICATION; PERFORMANCE; MM AB In Free Electron Lasers (EEL), the electron trajectory through the undulator must meet stringent requirements in terms of trajectory wander and phase variation. This paper analyzes the feasibility of using line current pairs as correctors for superconducting undulators given a set of expected fabrication errors. A tolerance study has first been performed to investigate the impact of geometrical errors on the field quality. These errors are corrected with line currents that increase or decrease the magnetic field locally. Once the uncorrected trajectory is known, an algorithm finds the minimum number of correctors required to fulfill the trajectory specifications, and gives the corrector locations. All the correctors can be powered with the same current, greatly simplifying the implementation. The current then offers a degree of freedom to correct the trajectory and can be tuned dynamically as a function of the magnetic deflection. C1 [Rochepault, E.; Arbelaez, D.; Prestemon, S. O.; Schlueter, R. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Rochepault, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM etienne.rochepault@gmail.com FU Office of Science, High Energy Physics, U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, High Energy Physics, U.S. Department of Energy under contract DE-AC02-05CH11231. NR 13 TC 0 Z9 0 U1 2 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4101005 DI 10.1109/TASC.2013.2285095 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500121 ER PT J AU Rummel, T Risse, K Fullenbach, F Koppen, M Kisslinger, J Brown, T Hatcher, R Langish, S Mardenfeld, M Neilson, H AF Rummel, Thomas Risse, Konrad Fuellenbach, Frank Koeppen, Matthias Kisslinger, Johann Brown, Tom Hatcher, Ron Langish, Stephen Mardenfeld, Mike Neilson, Hutch TI The Wendelstein 7-X Trim Coil System SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Power supplies; trim coils; Wendelstein 7-X AB The magnet system of the fusion experimental device Wendelstein 7-X (W7-X) contains superconducting as well as normal conducting coils. Seventy superconducting coils are forming the steady state main field to confine the plasma. Inside of he plasma vessel, ten control coils, made of copper, will be placed to modify the strike points of the plasma at the divertor. In addition, a set of five normal conducting, water cooled trim coils will increase the experimental flexibility by providing a means to balance divertor heat loads among the live field periods. The coils will be placed at the outer surface of the cryostat of W7-X. There are four coils (type A) with equal shape; the fifth coil (type B) has a slightly different shape due to space restrictions. The coils have dimensions of 3.5 x 3.3 m with 48 turns and will be operated with currents of up to 1.8 kA (type A). The other coil (type B) has a smaller size of 2.8 x 2.2 m, compensated by a higher number of turns and a higher operation current of 1.95 kA. Five independent power supplies are being fabricated to operate the coils with a maximum of flexibility. The concept is based on four-quadrant power supplies using Insulated-Gate-Bipolar-Transistors. The trim coil package consisting of the five coils plus the five power supplies is being designed and built in collaboration between IPP, Germany and PPPL, USA, partly funded by the Department of Energy. C1 [Rummel, Thomas; Risse, Konrad; Fuellenbach, Frank; Koeppen, Matthias; Kisslinger, Johann] Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. [Brown, Tom; Hatcher, Ron; Langish, Stephen; Mardenfeld, Mike; Neilson, Hutch] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Rummel, T (reprint author), Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. EM thomas.rummel@ipp.mpg.de; hneilson@pppl.gov FU U.S. Department of Energy FX This work was supported in part by the U.S. Department of Energy. NR 4 TC 2 Z9 2 U1 0 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4200904 DI 10.1109/TASC.2013.2284671 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500141 ER PT J AU Salmi, T Ambrosio, G Caspi, S Chlachidze, G Felice, H Marchevsky, M Prestemon, S ten Kate, HHJ AF Salmi, T. Ambrosio, G. Caspi, S. Chlachidze, G. Felice, H. Marchevsky, M. Prestemon, S. ten Kate, H. H. J. TI Protection Heater Delay Time Optimization for High-Field Nb3Sn Accelerator Magnets SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Protection heaters; quench protection; superconducting magnet design; thermal modeling AB The US LARP collaboration has been pursuing the development of Nb3Sn technology for the interaction region low-beta quadrupole magnets for the future LHC luminosity upgrade. A key component for safe operation of these high-field magnets is the quench protection system. Due to the high stored energy density and the low stabilizer fraction in the conductor, quench propagation in the windings needs to be accelerated to limit the hot spot temperature and coil internal voltages during a quench. For this purpose, quench protection heaters are used to introduce multiple quenches across the windings. Heater delay, i.e. the time delay between heater activation and normal zone initiation under the heater, is a critical design parameter. We present an analysis of the heater delays characteristics for Nb3Sn coil windings based on our recently developed Code for Heater Delay Analysis (CoHDA), and compare with experimental results for various operational currents and temperatures in the LARP HQ and LQ magnets. We demonstrate applicability of our simulation model for heater design optimization of the LHC type low-beta quadrupole coils. C1 [Salmi, T.; Caspi, S.; Felice, H.; Marchevsky, M.; Prestemon, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ambrosio, G.; Chlachidze, G.] Fermi Natl Lab, Batavia, IL 60510 USA. [ten Kate, H. H. J.] Univ Twente, NL-7500 AE Enschede, Netherlands. RP Salmi, T (reprint author), Tampere Univ Technol, Tampere 33720, Finland. EM tiina.salmi@tut.fi FU Office of Science, High Energy Physics, U.S. D.o.E. [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, High Energy Physics, U.S. D.o.E. under Contract DE-AC02-05CH11231. NR 15 TC 3 Z9 3 U1 3 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4701305 DI 10.1109/TASC.2013.2287634 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500252 ER PT J AU Todesco, E Allain, H Ambrosio, G Arduini, G Cerutti, F De Maria, R Esposito, L Fartoukh, S Ferracin, P Felice, H Gupta, R Kersevan, R Mokhov, N Nakamoto, T Rakno, I Rifflet, JM Rossi, L Sabbi, GL Segreti, M Toral, F Xu, Q Wanderer, P van Weelderen, R AF Todesco, E. Allain, H. Ambrosio, G. Arduini, G. Cerutti, F. De Maria, R. Esposito, L. Fartoukh, S. Ferracin, P. Felice, H. Gupta, R. Kersevan, R. Mokhov, N. Nakamoto, T. Rakno, I. Rifflet, J. M. Rossi, L. Sabbi, G. L. Segreti, M. Toral, F. Xu, Q. Wanderer, P. van Weelderen, R. TI A First Baseline for the Magnets in the High Luminosity LHC Insertion Regions SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Dipoles; low-temperature superconductors; quadrupoles; superconducting accelerator magnets AB The High Luminosity LHC (HL-LHC) project aims at accumulating 3000 fb(-1) in the years 2023-2035, i.e., ten times more w.r.t. the nominal LHC performance expected for 2010-2021. One key element to reach this challenging performance is a new insertion region to reduce the beam size in the interaction point by approximately a factor two. This requires larger aperture magnets in the region spanning from the interaction point to the matching section quadrupoles. This aperture has been fixed to 150 mm for the inner triplet quadrupoles in 2012. In this paper, we give a first baseline of the interaction region. We discuss the main motivations that lead us to choose the technology, the combination of fields/gradients and lengths, the apertures, the quantity of superconductor, and the operational margin. Key elements are also the constraints given by the energy deposition in terms of heat load and radiation damage; we present the main features related to shielding and heat removal. C1 [Todesco, E.; Allain, H.; Arduini, G.; Cerutti, F.; De Maria, R.; Esposito, L.; Fartoukh, S.; Ferracin, P.; Kersevan, R.; Rossi, L.; van Weelderen, R.] CERN, CH-1211 Geneva, Switzerland. [Ambrosio, G.; Mokhov, N.; Rakno, I.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Felice, H.; Sabbi, G. L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab LBL, Berkeley, CA 94720 USA. [Gupta, R.; Wanderer, P.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Nakamoto, T.; Xu, Q.] KEK, Tsukuba, Ibaraki 3120801, Japan. [Rifflet, J. M.; Segreti, M.] CEA Saclay, F-91400 Gif Sur Yvette, France. [Toral, F.] CIEMAT, E-28040 Madrid, Spain. RP Todesco, E (reprint author), CERN, CH-1211 Geneva, Switzerland. EM Ezio.Todesco@cern.ch FU European Commission under the FP7 project HiLumi LHC [284404]; DoE, USA; KEK, Japan FX This work was supported in part by the European Commission under the FP7 project HiLumi LHC, under Grant 284404, co-funded by the DoE, USA and KEK, Japan. NR 26 TC 19 Z9 19 U1 1 U2 16 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4003305 DI 10.1109/TASC.2013.2288603 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500100 ER PT J AU Wang, X Ambrosio, G Borgnolutti, F Buehler, M Chlachidze, G Dietderich, DR DiMarco, J Felice, H Ferracin, P Ghosh, A Godeke, A Marchevsky, M Orris, D Prestemon, SO Sabbi, G Sylvester, C Tartaglia, M Todesco, E Velev, G Wanderer, P AF Wang, X. Ambrosio, G. Borgnolutti, F. Buehler, M. Chlachidze, G. Dietderich, D. R. DiMarco, J. Felice, H. Ferracin, P. Ghosh, A. Godeke, A. Marchevsky, M. Orris, D. Prestemon, S. O. Sabbi, G. Sylvester, C. Tartaglia, M. Todesco, E. Velev, G. Wanderer, P. TI Multipoles Induced by Inter-Strand Coupling Currents in LARP Nb3Sn Quadrupoles SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Field quality; inter-strand coupling currents; Nb3Sn accelerator magnets; Rutherford cable ID AC LOSS; ACCELERATOR MAGNETS; CONTACT RESISTANCE; FIELD QUALITY; SUPERCONDUCTORS; CABLES AB The U.S. LHC Accelerator Research Program has been developing Nb3Sn quadrupole magnets of progressively increasing performance and complexity for the High-Luminosity LHC project. The magnets are wound with Rutherford cables following the wind-and-react process. The resulting inter-strand coupling can generate strong field distortions during current ramp. The latest series of 120 mm aperture magnets (HQ) are designed and built for high field quality, offering an opportunity for detailed studies of these effects. Magnetic measurements of first-generation HQ magnets showed strong ramp-rate dependence. A stainless-steel core was introduced for the second generation of magnet coils to control the inter-strand coupling currents and the resulting dynamic multipoles. We report the observed dynamic effects and compare with calculations taking into account the coil geometry and cross-contact resistance in the Rutherford cable. In particular, the dependence of field quality on width and position of the stainless steel core is discussed. C1 [Wang, X.; Borgnolutti, F.; Dietderich, D. R.; Felice, H.; Godeke, A.; Marchevsky, M.; Prestemon, S. O.; Sabbi, G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ambrosio, G.; Buehler, M.; Chlachidze, G.; DiMarco, J.; Orris, D.; Sylvester, C.; Tartaglia, M.; Velev, G.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Ferracin, P.; Todesco, E.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Ghosh, A.; Wanderer, P.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Wang, X (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM xrwang@lbl.gov OI Wang, Xiaorong/0000-0001-7065-8615 FU U.S. LHC Accelerator Research Program through U.S. Department of Energy [E-AC02-07CH11359, DE-AC02-98CH10886, DE-AC02-05CH11231, DE-AC02-76SF00515]; European Commission [284404] FX This work was supported by the U.S. LHC Accelerator Research Program through U.S. Department of Energy contracts DE-AC02-07CH11359, DE-AC02-98CH10886, DE-AC02-05CH11231, and DE-AC02-76SF00515. The HiLumi LHC Design Study is included in the High Luminosity LHC project and is partly funded by the European Commission within the Framework Programme 7 Capacities Specific Programme, Grant Agreement 284404. NR 37 TC 5 Z9 5 U1 0 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4002607 DI 10.1109/TASC.2013.2285235 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500093 ER PT J AU Witte, H Sampson, WB Weggel, R Palmer, R Gupta, R AF Witte, Holger Sampson, William B. Weggel, Robert Palmer, Robert Gupta, Ramesh TI Reduction of the Hot Spot Temperature in HTS Coils SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnets; electromagnetic analysis; electromagnets; superconducting magnets AB A potential future muon collider requires high field solenoids (> 30 T) for the final cooling stage; the Magnet Division at Brookhaven National Laboratory is undertaking the task of demonstrating feasibility using high-temperature superconductors (HTS). The aim is to construct an all-HTS dual-coil system capable of delivering more than 20 T. Recently, a new record for an all-HTS solenoid has been established with a field of 15 T on-axis. In coil tests, it was noticed that during a fast energy extraction, the current in the solenoids decays faster in comparison to the expected exponential decay. This paper describes the effect and shows how it can be simulated using commercial finite element code. The faster current decay helps to lower the integral current density squared with time by about 10% and is therefore beneficial for quench protection. C1 [Witte, Holger; Sampson, William B.; Palmer, Robert; Gupta, Ramesh] Brookhaven Natl Lab, Upton, NY 11973 USA. [Weggel, Robert] Magnet Optimizat Res Engn, Reading, MA 01867 USA. RP Witte, H (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM hwitte@bnl.gov FU Brookhaven Science Associates, LLC [DE-AC02-98CH10886]; U.S. Department of Energy FX This work was supported in part by Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy. NR 10 TC 5 Z9 5 U1 0 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4601904 DI 10.1109/TASC.2013.2281849 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500227 ER PT J AU Zlobin, AV Andreev, N Apollinari, G Auchmann, B Bajas, H Barzi, E Bossert, R Chlachidze, G Karppinen, M Nobrega, F Novitski, I Rossi, L Smekens, D Turrioni, D AF Zlobin, A. V. Andreev, N. Apollinari, G. Auchmann, B. Bajas, H. Barzi, E. Bossert, R. Chlachidze, G. Karppinen, M. Nobrega, F. Novitski, I. Rossi, L. Smekens, D. Turrioni, D. TI Quench Performance of a 1 m Long Single-Aperture 11 T Nb3Sn Dipole Model for LHC Upgrades SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Accelerator magnets; Large Hadron Collider (LHC); magnet test; superconducting coils AB FNAL and CERN are performing an R&D program with the goal of developing a 5.5 m long twin-aperture 11 T Nb3Sn dipole suitable for installation in the Large Hadron Collider (LHC). An important part of the program is the development and test of a series of short single-aperture and twin-aperture models with a nominal field of 11 T at the LHC nominal current of 11.85 kA and 20% margin. This paper describes design and fabrication features, and test results of a 1 m long single-aperture Nb3Sn dipole model tested at FNAL. C1 [Zlobin, A. V.; Andreev, N.; Apollinari, G.; Barzi, E.; Bossert, R.; Chlachidze, G.; Nobrega, F.; Novitski, I.; Turrioni, D.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Auchmann, B.; Bajas, H.; Karppinen, M.; Rossi, L.; Smekens, D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. RP Zlobin, AV (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM zlobin@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; US Department of Energy; European Commission under FP7 project HiLumi LHC [GA 284404] FX This work was supported by Fermi Research Alliance, LLC, under Contract DE-AC02-07CH11359 with the US Department of Energy and European Commission under FP7 project HiLumi LHC, GA 284404. NR 14 TC 7 Z9 7 U1 0 U2 20 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 EI 1558-2515 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD JUN PY 2014 VL 24 IS 3 AR 4000305 DI 10.1109/TASC.2013.2281782 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AC4VF UT WOS:000332518500071 ER PT J AU Wang, Q Pepin, M Wright, A Dunkel, R Atwood, T Santhanam, B Gerstle, W Doerry, AW Hayat, MM AF Wang, Qi Pepin, Matthew Wright, Aleck Dunkel, Ralf Atwood, Tom Santhanam, Balu Gerstle, Walter Doerry, Armin W. Hayat, Majeed M. TI Reduction of Vibration-Induced Artifacts in Synthetic Aperture Radar Imagery SO IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING LA English DT Article DE Fractional Fourier transform (FrFT); ghost target; image deghosting; synthetic aperture radar (SAR); vibrating target ID FRACTIONAL FOURIER-TRANSFORM; MICRO-DOPPLER ANALYSIS; FEATURE-EXTRACTION; MOVING TARGETS; ROTATING PARTS; SAR AB Target vibrations introduce nonstationary phase modulation, which is termed the micro-Doppler effect, into returned synthetic aperture radar (SAR) signals. This causes artifacts, or ghost targets, which appear near vibrating targets in reconstructed SAR images. Recently, a vibration estimation method based on the discrete fractional Fourier transform (DFrFT) has been developed. This method is capable of estimating the instantaneous vibration accelerations and vibration frequencies. In this paper, a deghosting method for vibrating targets in SAR images is proposed. For single-component vibrations, this method first exploits the estimation results provided by the DFrFT-based vibration estimation method to reconstruct the instantaneous vibration displacements. A reference signal, whose phase is modulated by the estimated vibration displacements, is then synthesized to compensate for the vibration-induced phase modulation in returned SAR signals before forming the SAR image. The performance of the proposed method with respect to the signal-to-noise and signal-to-clutter ratios is analyzed using simulations. Experimental results using the Lynx SAR system show a substantial reduction in ghosting caused by a 1.5-cm 0.8-Hz target vibration in a true SAR image. C1 [Wang, Qi; Pepin, Matthew; Hayat, Majeed M.] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87131 USA. [Wang, Qi; Pepin, Matthew; Wright, Aleck; Santhanam, Balu; Hayat, Majeed M.] Univ New Mexico, Dept Elect & Comp Engn, Albuquerque, NM 87131 USA. [Dunkel, Ralf] Gen Atom Aeronaut Syst Inc, San Diego, CA 92128 USA. [Atwood, Tom; Doerry, Armin W.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Gerstle, Walter] Univ New Mexico, Dept Civil Engn, Albuquerque, NM 87106 USA. RP Wang, Q (reprint author), Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87131 USA. EM qwang@ece.unm.edu; pepinm@ece.unm.edu; hayat@ece.unm.edu FU U.S. Department of Energy [DE-FG52-08NA28782]; National Science Foundation [IIS-0813747]; National Consortium for Measurement and Signature Intelligence (MASINT) Research; Naval Postgraduate School [N00244-11-1-0041]; Sandia National Laboratories FX Manuscript received July 9, 2012; revised March 3, 2013; accepted May 28, 2013. This work was supported in part by the U.S. Department of Energy under Award DE-FG52-08NA28782, by the National Science Foundation under Award IIS-0813747, by the National Consortium for Measurement and Signature Intelligence (MASINT) Research, by the Naval Postgraduate School under Contract N00244-11-1-0041, and by Sandia National Laboratories. NR 30 TC 10 Z9 10 U1 2 U2 14 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0196-2892 EI 1558-0644 J9 IEEE T GEOSCI REMOTE JI IEEE Trans. Geosci. Remote Sensing PD JUN PY 2014 VL 52 IS 6 BP 3063 EP 3073 DI 10.1109/TGRS.2013.2269138 PG 11 WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote Sensing; Imaging Science & Photographic Technology SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science & Photographic Technology GA AC4QB UT WOS:000332504700003 ER PT J AU Sen, S AF Sen, Satyabrata TI PAPR-Constrained Pareto-Optimal Waveform Design for OFDM-STAP Radar SO IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING LA English DT Article DE Cramer-Rao bound (CRB); orthogonal frequency division multiplexing (OFDM) radar; Pareto optimality; peak-to-average power ratio (PAPR); signal-to-interference-plus-noise ratio (SINR); space-time adaptive processing (STAP) ID GENERALIZED MULTIVARIATE-ANALYSIS; RECEIVE FILTER; ADAPTIVE RADAR; SIGNAL-DESIGN; CODE DESIGN; MIMO RADAR; CLUTTER; PERFORMANCE; TRACKING; OPTIMIZATION AB We propose a peak-to-average power ratio (PAPR)constrained Pareto-optimal waveform-design approach for an orthogonal frequency division multiplexing (OFDM) radar signal to detect a target using the space-time adaptive processing (STAP) technique. The use of an OFDM signal does not only increase the frequency diversity of our system but also enable us to adaptively design the OFDM coefficients in order to further improve the system performance. First, we develop a parametric OFDM-STAP measurement model by considering the effects of signal-dependent clutter and colored noise. Then, we observe that the resulting STAP performance can be improved by maximizing the output signal-to-interference-plus-noise ratio (SINR) with respect to the signal parameters. However, in practical scenarios, the computation of output SINR depends on the estimated values of the spatial and temporal frequencies and target-scattering responses. Therefore, we formulate a PAPR-constrained multiobjective-optimization problem to design the OFDM spectral parameters by simultaneously optimizing four objective functions: maximizing the output SINR, minimizing two separate Cramer-Rao bounds (CRBs) on the normalized spatial and temporal frequencies, and minimizing the trace of the CRB matrix on the target-scattering coefficient estimations. We present several numerical examples to demonstrate the achieved performance improvement due to the adaptive waveform design. C1 Oak Ridge Natl Lab, Ctr Engn Syst Adv Res, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Sen, S (reprint author), Oak Ridge Natl Lab, Ctr Engn Syst Adv Res, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. EM sens@ornl.gov OI Sen, Satyabrata/0000-0001-9918-4409 FU U.S. Missile Defense Agency; Laboratory Directed Research and Development Program of the Oak Ridge National Laboratory; U.S. Department of Energy [DE-AC05-00OR22725] FX This work was supported in part by the U.S. Missile Defense Agency and in part by the Laboratory Directed Research and Development Program of the Oak Ridge National Laboratory. The Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of Energy, under contract DE-AC05-00OR22725. NR 56 TC 12 Z9 18 U1 1 U2 40 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0196-2892 EI 1558-0644 J9 IEEE T GEOSCI REMOTE JI IEEE Trans. Geosci. Remote Sensing PD JUN PY 2014 VL 52 IS 6 BP 3658 EP 3669 DI 10.1109/TGRS.2013.2274593 PG 12 WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote Sensing; Imaging Science & Photographic Technology SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science & Photographic Technology GA AC4QB UT WOS:000332504700053 ER PT J AU Chou, YS Stevenson, JW Choi, JP AF Chou, Yeong-Shyung Stevenson, Jeffry W. Choi, Jung-Pyung TI Long-term evaluation of solid oxide fuel cell candidate materials in a 3-cell generic short stack fixture, part I: Test fixture, sealing, and electrochemical performance SO JOURNAL OF POWER SOURCES LA English DT Article DE Sealing glass; AISI441; Aluminization; (Mn,Co)-spinel; SOFC ID FERRITIC STAINLESS-STEEL; INTERCONNECT APPLICATIONS; CHEMICAL COMPATIBILITY; CATHODIC POLARIZATION; SOFC CATHODES; GLASS; DEGRADATION; ELECTRODES; ALLOY AB A generic solid oxide fuel cell stack test fixture was developed to evaluate candidate materials and processing under realistic conditions. A NiO-YSZ anode-supported YSZ electrolyte cell with a composite cathode was used to evaluate the long-term stability of a sealing system, alumina coating, Ce-modified (Mn,Co)-spinel coating, ferritic stainles steel AISI441 interconnect metal, and current collectors. A 3-cell short stack was assembled and tested in constant current mode for 6000 h at 800 degrees C. Part I of the work addresses the stack fixture design, cell components, sealing system, cell performance, and post-mortem analysis. Parts II and III will discuss microstructure evolution, interfacial reactions, and degradation mechanisms. During 6000 h of testing, the top cell showed very low degradation ( similar to 1.4% kh(-1)), while the middle and bottom cells exhibited much higher degradation after similar to 2000 h. The rapid cell degradation was correlated to the open circuit voltage measurements and was attributed to glass seal failure, probably due to unbalanced stress conditions. Post-mortem analysis showed a characteristic yellowish color around the glass seal, suggesting formation of SrCrO4. Overall the developed stack test fixture was demonstrated as a simple and useful tool for evaluation of SOFC candidate materials in realistic conditions. (C) 2014 Published by Elsevier B.V. C1 [Chou, Yeong-Shyung; Stevenson, Jeffry W.; Choi, Jung-Pyung] PNNL, Energy & Efficiency Div, Richland, WA 99354 USA. RP Chou, YS (reprint author), PNNL, Energy & Efficiency Div, K2-44,POB 999, Richland, WA 99354 USA. EM yeong-shyung.chou@pnnl.gov FU US Department of Energy's Solid-State Energy Conversion Alliance (SECA) Core Technology Program; US Department of Energy [DE-AC06-76RLO 1830] FX The authors would like to thank S. Carlson for SEM sample preparation, and J. Coleman for SEM analysis. This work summarized in this paper was funded by the US Department of Energy's Solid-State Energy Conversion Alliance (SECA) Core Technology Program. The authors would like to thank Briggs White and Shailesh Vora from NETL for helpful discussions. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the US Department of Energy under Contract no. DE-AC06-76RLO 1830. NR 32 TC 7 Z9 7 U1 2 U2 75 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 JUN 1 PY 2014 VL 255 BP 1 EP 8 DI 10.1016/j.jpowsour.2013.12.067 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA AC3QN UT WOS:000332436400001 ER PT J AU Pan, AQ Wang, YP Xu, W Nie, ZW Liang, SQ Nie, ZM Wang, CM Cao, GZ Zhang, JG AF Pan, Anqiang Wang, Yaping Xu, Wu Nie, Zhiwei Liang, Shuquan Nie, Zimin Wang, Chongmin Cao, Guozhong Zhang, Ji-Guang TI High-performance anode based on porous Co3O4 nanodiscs SO JOURNAL OF POWER SOURCES LA English DT Article DE Cobalt oxide; Hydrothermal; Lithium-ion batteries; Hexagonal nanodiscs; Anode ID LITHIUM-ION BATTERIES; ENERGY-STORAGE; HIGH-CAPACITY; CARBON; ELECTRODES; NANOMATERIALS; NANOTUBES; COMPOSITE; COBALT AB In this article, two-dimensional, Co3O4 hexagonal nanodiscs are prepared using a hydrothermal method without surfactants. X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) have been employed to characterize the structural properties. As revealed by the SEM and TEM experiments, the thickness of our as-fabricated Co3O4 hexagonal nanodiscs is about 20 nm, and the pore diameters range from several nanometers to 30 nm. As an anode for lithium-ion batteries, porous Co3O4 nanodiscs exhibit an average discharge voltage of similar to 1 V (vs. Li/Li+) and a high specific charge capacity of 1161 mAh g(-1) after 100 cycles. They also demonstrate excellent rate performance and high Columbic efficiency at various rates. These results indicate that porous Co3O4 nanodiscs are good candidates as anode materials for lithium-ion batteries. (C) 2014 Elsevier B.V. All rights reserved. C1 [Pan, Anqiang; Wang, Yaping; Nie, Zhiwei; Liang, Shuquan] Cent S Univ, Sch Mat Sci & Engn, Changsha 410083, Hunan, Peoples R China. [Pan, Anqiang; Xu, Wu; Nie, Zimin; Wang, Chongmin; Zhang, Ji-Guang] Pacific NW Natl Lab, Richland, WA 99354 USA. [Cao, Guozhong] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. RP Pan, AQ (reprint author), Cent S Univ, Sch Mat Sci & Engn, Changsha 410083, Hunan, Peoples R China. EM pananqiang@gmail.com; lsq@mail.csu.edu.cn; jiguang.zhang@pnl.gov RI Cao, Guozhong/E-4799-2011 FU National Nature Science Foundation of China [51302323]; Lie-Ying Program of Central South University; Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL); Batteries for Advanced Transportation Technologies Program (BATT) of the U.S. Department of Energy's (DOE) Office of Vehicle Technology; DOE's Office of Biological and Environmental Research; DOE's Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [KC020105-FWP12152] FX We acknowledge the financial support provided by the National Nature Science Foundation of China (No. 51302323), the Lie-Ying Program of Central South University, the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL), and the Batteries for Advanced Transportation Technologies Program (BATT) of the U.S. Department of Energy's (DOE) Office of Vehicle Technology. The SEM and TEM measurements were performed at the Environmental Molecular Sciences Laboratory, a national scientific-user facility sponsored by DOE's Office of Biological and Environmental Research. DOE's Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, also provided support under Award KC020105-FWP12152. NR 35 TC 23 Z9 23 U1 4 U2 131 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 JUN 1 PY 2014 VL 255 BP 125 EP 129 DI 10.1016/j.jpowsour.2013.12.131 PG 5 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA AC3QN UT WOS:000332436400017 ER PT J AU Fuentes, RE Colon-Mercado, HR Fox, EB AF Fuentes, Roderick E. Colon-Mercado, Hector R. Fox, Elise B. TI Electrochemical evaluation of carbon nanotubes and carbon black for the cathode of Li-air batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE Li/air battery; Cyclic voltammetry; Carbon; Lithium bis(trifluoromethylsulfonyl)imide; Tetraethylene glycol dimethyl ether; Manganese oxide ID ELECTROLYTE; CATALYSTS; SOLVENTS AB Cyclic Voltammetry (CV) was used to screen carbon catalysts for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) performance as electrodes for the Li-air battery. Lithium bis(trifluoromethylsulfonyl)imide (LiTF2N) in tetraethylene glycol dimethyl ether (TEGDME) was used as the electrolyte during testing. The effect of manganese/manganese oxide addition on the performance of the carbons was compared to that of the bare carbons in a cycling study. From CV results, it was found that single walled carbon nanotubes (SWCNT) had the highest peak current density per gram for ORR and OER than the other types of carbon studied. The SWCNT ORR peak decreased 49% after 100 cycles and only 36% when manganese/manganese oxide was added. The high activity of SWCNT with manganese/manganese oxide spheres make it a desirable material to use as the cathode for Li-air batteries. (C) 2014 Elsevier B.V. All rights reserved. C1 [Fuentes, Roderick E.; Colon-Mercado, Hector R.; Fox, Elise B.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Fox, EB (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM ebfox@bellsouth.net RI Fox, Elise/G-5438-2013 OI Fox, Elise/0000-0002-4527-5820 FU SRNL LDRD Programs; DOE Vehicle Technologies; U.S. Department of Energy [DE-AC09-08SR22470] FX This project was funded by SRNL LDRD Programs and DOE Vehicle Technologies. Savannah River National Laboratory is operated by Savannah River Nuclear Solutions. This document was prepared in conjunction with work accomplished under Contract No. DE-AC09-08SR22470 with the U.S. Department of Energy. NR 22 TC 9 Z9 9 U1 4 U2 160 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 JUN 1 PY 2014 VL 255 BP 219 EP 222 DI 10.1016/j.jpowsour.2013.12.133 PG 4 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA AC3QN UT WOS:000332436400028 ER PT J AU Lin, CY McCurdy, CW Rescigno, TN AF Lin, Chih-Yuan McCurdy, C. W. Rescigno, T. N. TI Theoretical study of (e, 2e) from outer- and inner-valence orbitals of CH4: A complex Kohn treatment SO PHYSICAL REVIEW A LA English DT Article ID ELECTRON-IMPACT IONIZATION; CROSS-SECTIONS; EXCITATION; MOLECULES; HELIUM; ATOMS AB Triply differential cross sections for electron-impact ionization of the 1(t2) and 2a(1) orbitals of methane are calculated using the complex Kohn variational method. The calculations are carried out for scattered electron energies of 500 eV and coplanar asymmetric kinematics far from the Bethe ridge, where previous experiment and theory are available for comparison. The present results are in reasonably good agreement with experiment for 1(t2) ionization and in excellent agreement for 2a(1) ionization, in contrast with previous theory. C1 [Lin, Chih-Yuan; McCurdy, C. W.; Rescigno, T. N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [McCurdy, C. W.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. RP Lin, CY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. FU U.S. Department of Energy; University of California Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; U.S. DOE Office of Basic Energy Sciences, Division of Chemical Sciences FX This work was performed under the auspices of the U.S. Department of Energy by the University of California Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231 and was supported by the U.S. DOE Office of Basic Energy Sciences, Division of Chemical Sciences. NR 26 TC 9 Z9 9 U1 0 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 EI 1094-1622 J9 PHYS REV A JI Phys. Rev. A PD MAY 30 PY 2014 VL 89 IS 5 AR 052718 DI 10.1103/PhysRevA.89.052718 PG 6 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA AJ9MS UT WOS:000338036000010 ER PT J AU Hong, T Schmidt, KP Coester, K Awwadi, FF Turnbull, MM Qiu, Y Rodriguez-Rivera, JA Zhu, M Ke, X Aoyama, CP Takano, Y Cao, HB Tian, W Ma, J Custelcean, R Zhou, HD Matsuda, M AF Hong, Tao Schmidt, K. P. Coester, K. Awwadi, F. F. Turnbull, M. M. Qiu, Y. Rodriguez-Rivera, J. A. Zhu, M. Ke, X. Aoyama, C. P. Takano, Y. Cao, Huibo Tian, W. Ma, J. Custelcean, R. Zhou, H. D. Matsuda, M. TI Magnetic ordering induced by interladder coupling in the spin-1/2 Heisenberg two-leg ladder antiferromagnet C9H18N2CuBr4 SO PHYSICAL REVIEW B LA English DT Article ID LACUO2.5; FIELD AB We present specific-heat and neutron-scattering results for the S = 1/2 quantum antiferromagnet (dimethylammonium)(3,5-dimethylpyridinium)CuBr4. The material orders magnetically at T-N = 1.99(2) K, and magnetic excitations are accompanied by an energy gap of 0.30(2) meV due to spin anisotropy. The system is best described as coupled two-leg spin-1/2 ladders with the leg exchange J(leg) = 0.60(2) meV, rung exchange J(rung) = 0.64(9) meV, interladder exchange J(int) = 0.19(2) meV, and an interaction-anisotropy parameter lambda = 0.93(2), according to inelastic neutron-scattering measurements. In contrast to most spin ladders reported to date, the material is a rare example in which the interladder coupling is very near the critical value required to drive the system to a Neel-ordered phase without the assistance of a magnetic field. C1 [Hong, Tao; Cao, Huibo; Tian, W.; Ma, J.; Matsuda, M.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Schmidt, K. P.; Coester, K.] Tech Univ Dortmund, Lehrstuhl Theoret Phys I, D-44221 Dortmund, Germany. [Awwadi, F. F.] Univ Jordan, Dept Chem, Amman 11942, Jordan. [Turnbull, M. M.] Clark Univ, Carlson Sch Chem, Worcester, MA 01610 USA. [Qiu, Y.; Rodriguez-Rivera, J. A.] NIST, Gaithersburg, MD 20899 USA. [Qiu, Y.; Rodriguez-Rivera, J. A.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Zhu, M.; Ke, X.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Aoyama, C. P.; Takano, Y.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Custelcean, R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Zhou, H. D.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Hong, T (reprint author), Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. EM hongt@ornl.gov RI Hong, Tao/F-8166-2010; Schmidt, Kai /C-7286-2009; Rodriguez-Rivera, Jose/A-4872-2013; Tian, Wei/C-8604-2013; Ma, Jie/C-1637-2013; Cao, Huibo/A-6835-2016; Matsuda, Masaaki/A-6902-2016; Custelcean, Radu/C-1037-2009; Awwadi, Firas/E-1638-2015; Zhou, Haidong/O-4373-2016 OI Hong, Tao/0000-0002-0161-8588; Rodriguez-Rivera, Jose/0000-0002-8633-8314; Tian, Wei/0000-0001-7735-3187; Cao, Huibo/0000-0002-5970-4980; Matsuda, Masaaki/0000-0003-2209-9526; Custelcean, Radu/0000-0002-0727-7972; Awwadi, Firas/0000-0001-9440-6906; FU Division of Scientific User Facilities, Office of Basic Energy Science, US Department of Energy (DOE); NSF [DMR-9986442, DMR-0086210, DMR-0454672, DMR-0654118]; State of Florida; DOE; Michigan State University; NHMFL UCGP program; JDRD program of the University of Tennessee FX T.H. thanks D. A. Tennant for a helpful discussion. We thank J.-H. Park and G. E. Jones for help with cryogenics. The work at the HFIR, Oak Ridge National Laboratory, was sponsored by the Division of Scientific User Facilities, Office of Basic Energy Science, US Department of Energy (DOE). The work at NIST utilized facilities supported by the NSF under Agreements No. DMR-9986442, No. DMR-0086210, and No. DMR-0454672. The National High Magnetic Field Laboratory (NHMFL), in which the specific-heat measurements were made, is supported by NSF Cooperative Agreement No. DMR-0654118, by the State of Florida, and by the DOE. XK acknowledges support from Michigan State University, CPA and YT acknowledge support by the NHMFL UCGP program, and HDZ acknowledges support from the JDRD program of the University of Tennessee. NR 43 TC 1 Z9 1 U1 1 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 30 PY 2014 VL 89 IS 17 AR 174432 DI 10.1103/PhysRevB.89.174432 PG 6 WC Physics, Condensed Matter SC Physics GA AJ9NT UT WOS:000338039400002 ER PT J AU Kim, H Tanatar, MA Liu, Y Sims, ZC Zhang, CL Dai, PC Lograsso, TA Prozorov, R AF Kim, H. Tanatar, M. A. Liu, Yong Sims, Zachary Cole Zhang, Chenglin Dai, Pengcheng Lograsso, T. A. Prozorov, R. TI Evolution of London penetration depth with scattering in single crystals of K1-xNaxFe2As2 SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTIVITY; KFE2AS2; DEPENDENCE; HEAT; GAP AB London penetration depth, lambda(T), was measured in single crystals of K1-xNaxFe2As2, x = 0 and 0.07, down to temperatures of 50 mK, similar to T-c/50. Isovalent substitution of Na for K significantly increases impurity scattering, with rho(T-c) rising from 0.2 to 2.2 mu Omega cm, and leads to a suppression of T-c from 3.5 to 2.8 K. At the same time, a close to T-linear Delta lambda(T) in pure samples changes to almost T-2 in the substituted samples. The behavior never becomes exponential as expected for the accidental nodes, as opposed to T-2 dependence in superconductors with symmetry imposed line nodes. The superfluid density in the full temperature range follows a simple clean and dirty d-wave dependence, for pure and substituted samples, respectively. This result contradicts suggestions of multiband scenarios with strongly different gap structure on four sheets of the Fermi surface. C1 [Kim, H.; Tanatar, M. A.; Liu, Yong; Lograsso, T. A.; Prozorov, R.] Ames Lab, Ames, IA 50010 USA. [Kim, H.; Tanatar, M. A.; Prozorov, R.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50010 USA. [Sims, Zachary Cole; Zhang, Chenglin] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Zhang, Chenglin; Dai, Pengcheng] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. RP Prozorov, R (reprint author), Ames Lab, Ames, IA 50010 USA. EM prozorov@ameslab.gov RI Dai, Pengcheng /C-9171-2012 OI Dai, Pengcheng /0000-0002-6088-3170 FU US Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; US DOE by Iowa State University [DE-AC02-07CH11358]; US DOE; BES [DE-FG02-05ER4620] FX We thank W. E. Straszheim for performing WDS analysis and P. Hirschfeld, A. Chubukov and R. M. Fernandes for useful discussions. This work was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. The research was performed at the Ames Laboratory, which is operated for the US DOE by Iowa State University under Contract No. DE-AC02-07CH11358. The single-crystal growth at the University of Tennessee and Rice University was supported by US DOE, BES under Grant No. DE-FG02-05ER4620 (P.D.). NR 63 TC 8 Z9 8 U1 0 U2 18 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 30 PY 2014 VL 89 IS 17 AR 174519 DI 10.1103/PhysRevB.89.174519 PG 7 WC Physics, Condensed Matter SC Physics GA AJ9NT UT WOS:000338039400005 ER PT J AU Lu, YM Lee, DH AF Lu, Yuan-Ming Lee, Dung-Hai TI Quantum phase transitions between bosonic symmetry-protected topological phases in two dimensions: Emergent QED(3) and anyon superfluid SO PHYSICAL REVIEW B LA English DT Article ID QUANTIZED HALL CONDUCTANCE; LARGE-N LIMIT; FRACTIONAL-STATISTICS; GROUND-STATE; SUPERCONDUCTORS; INSULATORS; SPIN; MODEL; EXCITATIONS; HIERARCHY AB Inspired by the Chern-Simons effective theory description of symmetry protected topological (SPT) phases in two dimensions, we present a projective construction for many-body wave functions of SPT phases. Using this projective construction, we can systematically write down trial wave functions of SPT phases on a lattice. An explicit example of SPT phase with U(1) symmetry is constructed for two types of bosons with filling v(b1) = v(b2) = 1/2 per site on a square lattice. We study continuous phase transitions between different U(1)-SPT phases based on projective construction. The effective theory around the critical point is an emergent QED(3) with fermion number N-f = 2. Such a continuous phase transition, however, needs fine tuning, and in general there are intermediate phases between different U(1)-SPT phases. We show that such an intermediate phase has the same response as an anyon superconductor, and hence dub it "anyon superfluid." A schematic phase diagram of interacting bosons with U(1) symmetry is depicted. C1 [Lu, Yuan-Ming] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Lu, YM (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Lu, Yuan-Ming/D-7554-2017 OI Lu, Yuan-Ming/0000-0001-6275-739X FU DOE [DE-AC02-05CH11231]; National Science Foundation [NSF PHY05-51164] FX Y.M.L. is indebted to Ying Ran for an inspiring discussion, which eventually leads to the projective construction of bosonic SPT phases in two dimensions. Y.M.L. thanks Kavli Institute for Theoretical Physics China, and Kavli Institute for Theoretical Physics for hospitality, where part of this work was finished during 2012 KITP program "Frustrated Magnetism and Quantum Spin Liquids." Y.M.L. and D.H.L. acknowledges the support by the DOE Grant No. DE-AC02-05CH11231. This research was supported in part by the National Science Foundation under Grant No. NSF PHY05-51164 (Y.M.L.). NR 87 TC 20 Z9 20 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 30 PY 2014 VL 89 IS 19 AR 195143 DI 10.1103/PhysRevB.89.195143 PG 11 WC Physics, Condensed Matter SC Physics GA AJ9NJ UT WOS:000338038100001 ER PT J AU Nguyen, MC Zhao, X Wang, CZ Ho, KM AF Manh Cuong Nguyen Zhao, Xin Wang, Cai-Zhuang Ho, Kai-Ming TI sp(3)-hybridized framework structure of group-14 elements discovered by genetic algorithm SO PHYSICAL REVIEW B LA English DT Article ID CRYSTAL-STRUCTURE PREDICTION; AUGMENTED-WAVE METHOD; BAND-GAP; CLATHRATE; SILICON; SEMICONDUCTORS; FORM; SI; 1ST-PRINCIPLES; OPTIMIZATION AB Group-14 elements, including C, Si, Ge, and Sn, can form various stable and metastable structures. Finding new metastable structures of group-14 elements with desirable physical properties for new technological applications has attracted a lot of interest. Using a genetic algorithm, we discovered a new low-energy metastable distorted sp(3)-hybridized framework structure of the group-14 elements. It has P4(2)/mnm symmetry with 12 atoms per unit cell. The void volume of this structure is as large as 139.7 angstrom(3) for Si P4(2)/mnm, and it can be used for gas or metal-atom encapsulation. Band-structure calculations show that P4(2)/mnm structures of Si and Ge are semiconducting with energy band gaps close to the optimal values for optoelectronic or photovoltaic applications. With metal-atom encapsulation, the P4(2)/mnm structure would also be a candidate for rattling-mediated superconducting or used as thermoelectric materials. C1 [Manh Cuong Nguyen] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Nguyen, MC (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. EM mcnguyen@ameslab.gov RI Nguyen, Manh Cuong/G-2783-2015; OI Nguyen, Manh Cuong/0000-0001-8027-9029; Zhao, Xin/0000-0002-3580-512X FU Iowa State University [DE-AC02-07CH11358]; U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; National Energy Research Scientific Computing Center (NERSC) FX This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division, including computing time at the National Energy Research Scientific Computing Center (NERSC). 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 56 TC 14 Z9 15 U1 1 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 MAY 30 PY 2014 VL 89 IS 18 AR 184112 DI 10.1103/PhysRevB.89.184112 PG 6 WC Physics, Condensed Matter SC Physics GA AJ9NQ UT WOS:000338039000004 ER PT J AU Mou, DX Konik, RM Tsvelik, AM Zaliznyak, I Zhou, XJ AF Mou, Daixiang Konik, R. M. Tsvelik, A. M. Zaliznyak, I. Zhou, Xingjiang TI Charge-density wave and one-dimensional electronic spectra in blue bronze: Incoherent solitons and spin-charge separation SO PHYSICAL REVIEW B LA English DT Article ID DEPENDENT FERMI-SURFACE; 2-CHAIN HUBBARD-MODEL; PEIERLS TRANSITION; K0.3MOO3; LADDER; PHASE; THERMODYNAMICS; SCATTERING; K0.30MOO3; STATE AB We present high resolution angle resolved photoemission spectroscopy (ARPES) data for K0.3MoO3 (blue bronze) and propose a theoretical description of these results based primarily on electron-electron interactions. The observed Fermi surface, with two quasi-one-dimensional sheets, is consistent with a ladder material with a weak interladder coupling. Hence, we base our description on spectral properties of one-dimensional ladders. The marked broadening of the ARPES line shape, a significant fraction of an eV, is interpreted in terms of spin-charge separation. A high-energy feature, which is revealed in the spectra near the Fermi momentum thanks to improved energy resolution, is seen as a signature of a higher-energy bound state of soliton excitations on a ladder. C1 [Mou, Daixiang; Zhou, Xingjiang] Chinese Acad Sci, Natl Lab Superconduct, Beijing Natl Lab Condensed Matter Phys, Inst Phys, Beijing 100190, Peoples R China. [Konik, R. M.; Tsvelik, A. M.; Zaliznyak, I.] Brookhaven Natl Lab, 2CMPMS Dept, Upton, NY 11973 USA. RP Mou, DX (reprint author), Chinese Acad Sci, Natl Lab Superconduct, Beijing Natl Lab Condensed Matter Phys, Inst Phys, Beijing 100190, Peoples R China. RI Mou, Daixiang/D-1752-2014; Konik, Robert/L-8076-2016 OI Mou, Daixiang/0000-0002-1316-4384; Konik, Robert/0000-0003-1209-6890 FU MOST of China (973 program) [2011CB921703]; US DOE [DE-AC02-98 CH 10886] FX The authors are grateful for constructive conversations with Alan Tennant as well as useful comments by both P. D. Johnson and by F. H. L. Essler. X.J.Z. acknowledges financial support from the MOST of China (973 program Grant No. 2011CB921703). The work was also supported by the US DOE under Contract No. DE-AC02-98 CH 10886 (R.M.K., A.M.T., I.Z.). R.M.K. and A.M.T. also thank the Galileo Galilei Institute for Theoretical Physics and the INFN for kind hospitality and support during the completion of this work. NR 48 TC 5 Z9 5 U1 4 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD MAY 30 PY 2014 VL 89 IS 20 AR 201116 DI 10.1103/PhysRevB.89.201116 PG 5 WC Physics, Condensed Matter SC Physics GA AJ9ND UT WOS:000338037300001 ER PT J AU Tsvelik, AM Chubukov, AV AF Tsvelik, A. M. Chubukov, A. V. TI Composite charge order in the pseudogap region of the cuprates SO PHYSICAL REVIEW B LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTOR; 2-DIMENSIONAL ISING-MODEL; PHASE-TRANSITIONS; INSTABILITY; FLUCTUATIONS; YBA2CU3OY; STATE AB We study the Ginzburg-Landau free energy functional for two coupled U(1) charge order parameters describing two nonequivalent charge orders with wave vector Q detected in x-ray and STM measurements of underdoped cuprates. We do not rely on a mean-field analysis, but rather utilize a field-theoretical technique suitable to study the interplay between vortex physics and discrete symmetry breaking in two-dimensional systems with U(1) symmetry. Our calculations support the idea that in the clean systems there are two transitions: from a high-temperature disordered state into a state with a composite charge order which breaks time-reversal symmetry, but leaves U(1) fields disordered, and then into a state with quasi-long-range order in the U(1) fields. C1 [Tsvelik, A. M.] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. [Chubukov, A. V.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. RP Tsvelik, AM (reprint author), Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. FU DOE [DE-FG02-ER46900]; Center for Emergent Superconductivity, an Energy Frontier Research Center - Office of Basic Energy Sciences (BES), Division of Materials Science and Engineering, U.S. Department of Energy [98CH10886] FX A.V.C. is grateful to K. Efetov, C. Pepin, Y. Wang, S. Kivelson, E. Berg, and S. Lederer for fruitful conversations. He was supported by DOE Grant No. DE-FG02-ER46900. A.M.T. was supported by the Center for Emergent Superconductivity, an Energy Frontier Research Center, funded by the Office of Basic Energy Sciences (BES), Division of Materials Science and Engineering, U.S. Department of Energy, through Contract No. DE-AC02-98CH10886. NR 48 TC 25 Z9 25 U1 1 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 30 PY 2014 VL 89 IS 18 AR 184515 DI 10.1103/PhysRevB.89.184515 PG 6 WC Physics, Condensed Matter SC Physics GA AJ9NQ UT WOS:000338039000011 ER PT J AU Vaknin, D Demmel, F AF Vaknin, David Demmel, Franz TI Magnetic spectra in the tridiminished-icosahedron {Fe-9} nanocluster by inelastic neutron scattering SO PHYSICAL REVIEW B LA English DT Article ID FRUSTRATION; METAL AB Inelastic neutron scattering (INS) experiments under applied magnetic field at low temperatures show detailed low-lying magnetic excitations in the so-called tridiminshed iron icosahedron magnetic molecule. The magnetic molecule consists of nine iron Fe3+ (s = 5/2) and three phosphorous atoms that are situated on the 12 vertices of a nearly perfect icosahedron. The three phosphorous atoms form a plane that separates the iron cluster into two weakly coupled three- and six-ion fragments, {Fe-3} and {Fe-6}, respectively. The magnetic field INS results exhibit an S = 1/2 ground state expected from a perfect equilateral triangle of the {Fe-3} triad with a powder averaged g value = 2.00. Two sets of triplet excitations whose temperature and magnetic field dependence indicate an S = 0 ground state with two nondegenerate S = 1 states are attributed to the {Fe-6} fragment. The splitting may result from a finite coupling between the two fragments, single-ion anisotropy, antisymmetric exchange couplings, or from magnetic frustration of its triangular building blocks. C1 [Vaknin, David] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Vaknin, David] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Demmel, Franz] Rutherford Appleton Lab, ISIS Pulsed Neutron Facil, Didcot OX11 0QX, Oxon, England. RP Vaknin, D (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM vaknin@ameslab.gov RI Vaknin, David/B-3302-2009 OI Vaknin, David/0000-0002-0899-9248 FU Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-07CH11358]; ISIS cryogenics team FX D.V. thanks Marshall Luban and Larry Engelhardt for helpful discussions; samples were prepared by Dr Grigore A. Timco (University of Manchester). The work at the Ames Laboratory was supported by the Office of Basic Energy Sciences, U.S. Department of Energy under Contract No. DE-AC02-07CH11358. We gratefully acknowledge the support by the ISIS cryogenics team. NR 19 TC 2 Z9 2 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 30 PY 2014 VL 89 IS 18 AR 180411 DI 10.1103/PhysRevB.89.180411 PG 4 WC Physics, Condensed Matter SC Physics GA AJ9NQ UT WOS:000338039000001 ER PT J AU Watson, MD McCollam, A Blake, SF Vignolles, D Drigo, L Mazin, II Guterding, D Jeschke, HO Valenti, R Ni, N Cava, R Coldea, AI AF Watson, M. D. McCollam, A. Blake, S. F. Vignolles, D. Drigo, L. Mazin, I. I. Guterding, D. Jeschke, H. O. Valenti, R. Ni, N. Cava, R. Coldea, A. I. TI Field-induced magnetic transitions in Ca-10(Pt3As8)((Fe1-xPtx)(2)As-2)(5) compounds SO PHYSICAL REVIEW B LA English DT Article ID SKUTTERUDITE INTERMEDIARY LAYERS; SUPERCONDUCTIVITY AB We report a high magnetic field study up to 55 T of the parent and the nearly optimally doped iron-pnictide superconductor Ca-10(Pt3As8)((Fe1-xPtx)(2)As-2)(5) [x = 0 and 0.078(6)] using magnetic torque, tunnel diode oscillator technique, and transport measurements. We determine the superconducting phase diagram, revealing an anisotropy of the irreversibility field up to a factor of 10 near T-c and signatures of multiband superconductivity. Unexpectedly, we find a prominent anomaly in magnetic torque close to 22 T, when the magnetic field is applied perpendicular to the (ab) planes, which becomes significantly more pronounced as the temperature is lowered to 0.33 K. We suggest that this field-induced transition, observed both in the magnetically ordered parent compound and a nonordered superconducting sample, is a signature of a spin-flop-like transition associated not with long-range order but driven by antiferromagnetic fluctuations of magnetic moments aligned preferentially out of the conducting planes at low temperatures. C1 [Watson, M. D.; Blake, S. F.; Coldea, A. I.] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [McCollam, A.] Radboud Univ Nijmegen, Inst Mol & Mat, High Field Magnet Lab, NL-6525 ED Nijmegen, Netherlands. [Vignolles, D.; Drigo, L.] UJF, INSA, CNRS, Lab Natl Champs Magnet Intenses,UPS, Toulouse, France. [Mazin, I. I.] Naval Res Lab, Washington, DC 20375 USA. [Guterding, D.; Jeschke, H. O.; Valenti, R.] Goethe Univ Frankfurt, Inst Theoret Phys, D-60438 Frankfurt, Germany. [Ni, N.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA USA. [Ni, N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Ni, N.; Cava, R.] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. RP Watson, MD (reprint author), Univ Oxford, Dept Phys, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England. EM amalia.coldea@physics.ox.ac.uk RI Jeschke, Harald/C-3507-2009; McCollam, Alix/F-9697-2015; Coldea, Amalia/C-1106-2013; OI Jeschke, Harald/0000-0002-8091-7024; Watson, Matthew/0000-0002-0737-2814; Guterding, Daniel/0000-0003-3958-8801 FU EPSRC [EP/I004475/1]; EuroMagNET II (EU) [228043]; EPSRC; DFG [SPP1458]; UCLA, Marie Curie fellowship (LANL); AFOSR MURI; German National Academic Foundation; Funding Office of Naval Research (ONR) through the Naval Research Laboratory Basic Research Program; Alexander von Humboldt Foundation FX We acknowledge fruitful discussions with Andrew Boothroyd and Andreas Kreyssig, and we thank Susie Speller for technical support. This work was supported by EPSRC (EP/I004475/1) and part of the work by the EuroMagNET II (EU Contract No. 228043). A.I.C. acknowledges an EPSRC Career Acceleration Fellowship. D.G., H.O.J., and R.V. acknowledge support from the DFG through grant SPP1458. N.N. acknowledges support from UCLA, Marie Curie fellowship (LANL) and AFOSR MURI on superconductivity. D.G. acknowledges support from the German National Academic Foundation. I.I.M. acknowledges support from the Funding Office of Naval Research (ONR) through the Naval Research Laboratory Basic Research Program, and from the Alexander von Humboldt Foundation. NR 45 TC 5 Z9 5 U1 0 U2 20 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD MAY 30 PY 2014 VL 89 IS 20 AR 205136 DI 10.1103/PhysRevB.89.205136 PG 9 WC Physics, Condensed Matter SC Physics GA AJ9ND UT WOS:000338037300006 ER PT J AU Vajta, Z Stanoiu, M Sohler, D Jansen, GR Azaiez, F Dombradi, Z Sorlin, O Brown, BA Belleguic, M Borcea, C Bourgeois, C Dlouhy, Z Elekes, Z Fulop, Z Grevy, S Guillemaud-Mueller, D Hagen, G Hjorth-Jensen, M Ibrahim, F Kerek, A Krasznahorkay, A Lewitowicz, M Lukyanov, SM Mandal, S Mayet, P Mrazek, J Negoita, F Penionzhkevich, YE Podolyak, Z Roussel-Chomaz, P Saint-Laurent, MG Savajols, H Sletten, G Timar, J Timis, C Yamamoto, A AF Vajta, Zs. Stanoiu, M. Sohler, D. Jansen, G. R. Azaiez, F. Dombradi, Zs. Sorlin, O. Brown, B. A. Belleguic, M. Borcea, C. Bourgeois, C. Dlouhy, Z. Elekes, Z. Fueloep, Zs. Grevy, S. Guillemaud-Mueller, D. Hagen, G. Hjorth-Jensen, M. Ibrahim, F. Kerek, A. Krasznahorkay, A. Lewitowicz, M. Lukyanov, S. M. Mandal, S. Mayet, P. Mrazek, J. Negoita, F. Penionzhkevich, Yu. -E. Podolyak, Zs. Roussel-Chomaz, P. Saint-Laurent, M. G. Savajols, H. Sletten, G. Timar, J. Timis, C. Yamamoto, A. TI Excited states in the neutron-rich nucleus F-25 SO PHYSICAL REVIEW C LA English DT Article AB The structure of the nucleus F-25(9) was investigated through in-beam. gamma-ray spectroscopy of the fragmentation of Ne-26 and Na-27,Na-28 ion beams. Based on the particle-gamma and particle-gamma gamma coincidence data, a level scheme was constructed and compared with shell model and coupled-cluster calculations. Some of the observed states were interpreted as quasi-single-particle states built on top of the closed-shell nucleus O-24, while the others were described as states arising from coupling of a single proton to the 2(broken vertical bar) core excitation of O-24. C1 [Vajta, Zs.; Sohler, D.; Dombradi, Zs.; Elekes, Z.; Fueloep, Zs.; Krasznahorkay, A.; Timar, J.] Hungarian Acad Sci, Inst Nucl Res, H-4001 Debrecen, Hungary. [Stanoiu, M.; Borcea, C.; Negoita, F.; Timis, C.] IFIN HH, Bucharest 76900, Romania. [Jansen, G. R.; Hagen, G.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Jansen, G. R.; Hagen, G.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Azaiez, F.; Belleguic, M.; Bourgeois, C.; Guillemaud-Mueller, D.; Ibrahim, F.] CNRS, IN2P3, Inst Phys Nucl, F-91406 Orsay, France. [Sorlin, O.; Lewitowicz, M.; Saint-Laurent, M. G.; Savajols, H.] CEA DSM CNRS IN2P3, Grand Accelerateur Natl Ions Lourds, F-14076 Caen 5, France. [Brown, B. A.; Hjorth-Jensen, M.] Michigan State Univ, Natl Supercond Cyclotron Lab, E Lansing, MI 48824 USA. [Brown, B. A.; Hjorth-Jensen, M.; Mrazek, J.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Dlouhy, Z.; Mrazek, J.] Inst Nucl Phys, CZ-25068 Rez, Czech Republic. [Grevy, S.] UMR 5797 CNRS IN2P3, CENBG, F-33175 Gradignan, France. [Hjorth-Jensen, M.] Univ Oslo, Dept Phys, N-0316 Oslo, Norway. [Hjorth-Jensen, M.] Univ Oslo, Ctr Math Applicat, N-0316 Oslo, Norway. [Kerek, A.] Royal Inst Technol, Dept Phys, SE-10691 Stockholm, Sweden. [Lukyanov, S. M.; Penionzhkevich, Yu. -E.] JINR, FLNR, Dubna 141980, Moscow Region, Russia. [Mandal, S.; Mayet, P.] Gesell Schwerionenforsch mbH, D-64291 Darmstadt, Germany. [Podolyak, Zs.; Yamamoto, A.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Roussel-Chomaz, P.] CEA, DSM IRFU, F-91191 Gif Sur Yvette, France. [Sletten, G.] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. RP Vajta, Z (reprint author), Hungarian Acad Sci, Inst Nucl Res, POB 51, H-4001 Debrecen, Hungary. RI Mrazek, Jaromir/H-1355-2014; Fulop, Zsolt/B-2262-2008; OI Jansen, Gustav R./0000-0003-3558-0968 FU European Union's Seventh Framework Program [262010]; Romanian National Authority for Scientific Research; CNCS-UEFISCDI [PN-II-IDPCE-2011-3-0487]; OTKA [K100835, NN104543]; PICS(IN2P3) [1171]; INTAS [00-00463]; GACR [202-04791]; RFBR [N96-02-17381a]; Bolyai Janos Foundation; European Union and the European Social Fund; Office of Nuclear Physics, U.S. Department of Energy (Oak Ridge National Laboratory) [DE-SC0008499]; Office of Science of the Department of Energy [DE-AC05-00OR22725]; Research Council of Norway [ISP-Fysikk/216699]; NSF [PHY-1068217]; TAMOP [4.2.4. A/2-11-1-2012-0001]; [TAMOP-4.2.2/B-10/1-2010-0024] FX This work was partly supported by the European Union's Seventh Framework Program under Grant Agreement No. 262010, by a grant of the Romanian National Authority for Scientific Research, CNCS-UEFISCDI, Project No. PN-II-IDPCE-2011-3-0487, and also by OTKA Contract No. K100835 and NN104543, PICS(IN2P3) 1171, INTAS 00-00463, GACR 202-04791, and RFBR N96-02-17381a grants, the Bolyai Janos Foundation, and the TAMOP-4.2.2/B-10/1-2010-0024 project. The TAMOP project is cofinanced by the European Union and the European Social Fund. In addition, this work was partly supported by the Office of Nuclear Physics, U.S. Department of Energy (Oak Ridge National Laboratory) under No. DE-SC0008499 (NUCLEI SciDAC-3 Collaboration), and the Field Work Proposal ERKBP57 at the Oak Ridge National Laboratory. An award of computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. This research used resources of the Oak Ridge Leadership Computing Facility located in the Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under Contract 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. Support from the Research Council of Norway under Contract No. ISP-Fysikk/216699 is acknowledged. B.A.B. acknowledges support from NSF Grant No. PHY-1068217. This research was partly realized in the frames of the TAMOP 4.2.4. A/2-11-1-2012-0001 National Excellence Program elaborating and operating an inland student and researcher personal support system. The project was subsidized by the European Union and cofinanced by the European Social Fund. NR 39 TC 4 Z9 4 U1 1 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD MAY 30 PY 2014 VL 89 IS 5 AR 054323 DI 10.1103/PhysRevC.89.054323 PG 7 WC Physics, Nuclear SC Physics GA AJ9NZ UT WOS:000338040000002 ER PT J AU Airapetian, A Akopov, N Akopov, Z Aschenauer, EC Augustyniak, W Avetissian, A Avetisyan, E Belostotski, S Blok, HP Borissov, A Bryzgalov, V Burns, J Capiluppi, M Capitani, GP Cisbani, E Ciullo, G Contalbrigo, M Dalpiaz, PF Deconinck, W De Leo, R De Sanctis, E Diefenthaler, M Di Nezza, P Duren, M Ehrenfried, M Elbakian, G Ellinghaus, F Etzelmuller, E Felawka, L Frullani, S Gabbert, D Gapienko, G Gapienko, V Garcia, JG Garibaldi, F Gavrilov, G Gharibyan, V Giordano, F Gliske, S Hartig, M Hasch, D Hoek, M Holler, Y Hristova, I Ivanilov, A Jackson, HE Joosten, S Kaiser, R Karyan, G Keri, T Kinney, E Kisselev, A Korotkov, V Kozlov, V Kravchenko, P Krivokhijine, VG Lagamba, L Lapikas, L Lehmann, I Lenisa, P Lorenzon, W Lu, XG Ma, BQ Mahon, D Manaenkov, SI Mao, Y Marianski, B Marukyan, H Miyachi, Y Movsisyan, A Muccifora, V Murray, M Mussgiller, A Naryshkin, Y Nass, A Negodaev, M Nowak, WD Pappalardo, LL Perez-Benito, R Petrosyan, A Reimer, PE Reolon, AR Riedl, C Rith, K Rosner, G Rostomyan, A Rubin, J Ryckbosch, D Salomatin, Y Schafer, A Schnell, G Seitz, B Shibata, TA Stahl, M Statera, M Steffens, E Steijger, JJM Stinzing, F Taroian, S Terkulov, A Truty, R Trzcinski, A Tytgat, M Van Haarlem, Y Van Hulse, C Veretennikov, D Vikhrov, V Vilardi, I Vogel, C Wang, S Yaschenko, S Ye, Z Yen, S Zihlmann, B Zupranski, P AF Airapetian, A. Akopov, N. Akopov, Z. Aschenauer, E. C. Augustyniak, W. Avetissian, A. Avetisyan, E. Belostotski, S. Blok, H. P. Borissov, A. Bryzgalov, V. Burns, J. Capiluppi, M. Capitani, G. P. Cisbani, E. Ciullo, G. Contalbrigo, M. Dalpiaz, P. F. Deconinck, W. De Leo, R. De Sanctis, E. Diefenthaler, M. Di Nezza, P. Duren, M. Ehrenfried, M. Elbakian, G. Ellinghaus, F. Etzelmueller, E. Felawka, L. Frullani, S. Gabbert, D. Gapienko, G. Gapienko, V. Garay Garcia, J. Garibaldi, F. Gavrilov, G. Gharibyan, V. Giordano, F. Gliske, S. Hartig, M. Hasch, D. Hoek, M. Holler, Y. Hristova, I. Ivanilov, A. Jackson, H. E. Joosten, S. Kaiser, R. Karyan, G. Keri, T. Kinney, E. Kisselev, A. Korotkov, V. Kozlov, V. Kravchenko, P. Krivokhijine, V. G. Lagamba, L. Lapikas, L. Lehmann, I. Lenisa, P. Lorenzon, W. Lu, X. -G. Ma, B. -Q. Mahon, D. Manaenkov, S. I. Mao, Y. Marianski, B. Marukyan, H. Miyachi, Y. Movsisyan, A. Muccifora, V. Murray, M. Mussgiller, A. Naryshkin, Y. Nass, A. Negodaev, M. Nowak, W. -D. Pappalardo, L. L. Perez-Benito, R. Petrosyan, A. Reimer, P. E. Reolon, A. R. Riedl, C. Rith, K. Rosner, G. Rostomyan, A. Rubin, J. Ryckbosch, D. Salomatin, Y. Schafer, A. Schnell, G. Seitz, B. Shibata, T. -A. Stahl, M. Statera, M. Steffens, E. Steijger, J. J. M. Stinzing, F. Taroian, S. Terkulov, A. Truty, R. Trzcinski, A. Tytgat, M. Van Haarlem, Y. Van Hulse, C. Veretennikov, D. Vikhrov, V. Vilardi, I. Vogel, C. Wang, S. Yaschenko, S. Ye, Z. Yen, S. Zihlmann, B. Zupranski, P. CA HERMES Collaboration TI Reevaluation of the parton distribution of strange quarks in the nucleon SO PHYSICAL REVIEW D LA English DT Article ID HIGH-ENERGY COLLISIONS AB An earlier extraction from the HERMES experiment of the polarization-averaged parton distribution of strange quarks in the nucleon has been reevaluated using final data on the multiplicities of charged kaons in semi-inclusive deep-inelastic scattering obtained with a kinematically more comprehensive method of correcting for experimental effects. General features of the distribution are confirmed, but the rise at low x is less pronounced than previously reported. C1 [Jackson, H. E.; Reimer, P. E.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [De Leo, R.; Lagamba, L.; Vilardi, I.] Ist Nazl Fis Nucl, Sez Bari, I-70124 Bari, Italy. [Ma, B. -Q.; Mao, Y.; Wang, S.] Peking Univ, Sch Phys, Beijing 100871, Peoples R China. [Garay Garcia, J.; Schnell, G.; Van Hulse, C.] Univ Basque Country UPV EHU, Dept Theoret Phys, Bilbao 48080, Spain. [Garay Garcia, J.; Schnell, G.; Van Hulse, C.] Basque Fdn Sci, Ikerbasque, Bilbao 48011, Spain. [Ellinghaus, F.; Kinney, E.] Univ Colorado, Nucl Phys Lab, Boulder, CO 80309 USA. [Akopov, Z.; Avetisyan, E.; Borissov, A.; Deconinck, W.; Garay Garcia, J.; Gavrilov, G.; Hartig, M.; Holler, Y.; Lu, X. -G.; Mussgiller, A.; Rostomyan, A.; Yaschenko, S.; Ye, Z.; Zihlmann, B.] DESY, D-22603 Hamburg, Germany. [Aschenauer, E. C.; Gabbert, D.; Hristova, I.; Negodaev, M.; Nowak, W. -D.; Riedl, C.] DESY, D-15738 Zeuthen, Germany. [Krivokhijine, V. G.] Joint Inst Nucl Res, Dubna 141980, Russia. [Diefenthaler, M.; Mussgiller, A.; Nass, A.; Rith, K.; Steffens, E.; Stinzing, F.; Vogel, C.; Yaschenko, S.] Univ Erlangen Nurnberg, Inst Phys, D-91058 Erlangen, Germany. [Capiluppi, M.; Ciullo, G.; Contalbrigo, M.; Dalpiaz, P. F.; Giordano, F.; Lenisa, P.; Movsisyan, A.; Pappalardo, L. L.; Statera, M.] Univ Ferrara, Ist Nazl Fis Nucl, Sez Ferrara, I-44122 Ferrara, Italy. [Capiluppi, M.; Ciullo, G.; Contalbrigo, M.; Dalpiaz, P. F.; Giordano, F.; Lenisa, P.; Movsisyan, A.; Pappalardo, L. L.; Statera, M.] Univ Ferrara, Dipartimento Fis & Sci Terra, I-44122 Ferrara, Italy. [Capitani, G. P.; De Sanctis, E.; Di Nezza, P.; Hasch, D.; Muccifora, V.; Reolon, A. R.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Joosten, S.; Ryckbosch, D.; Schnell, G.; Tytgat, M.; Van Haarlem, Y.; Van Hulse, C.] Univ Ghent, Dept Phys & Astron, B-9000 Ghent, Belgium. [Airapetian, A.; Duren, M.; Ehrenfried, M.; Etzelmueller, E.; Keri, T.; Perez-Benito, R.; Stahl, M.] Univ Giessen, Inst Phys 2, D-35392 Giessen, Germany. [Burns, J.; Hoek, M.; Kaiser, R.; Keri, T.; Lehmann, I.; Mahon, D.; Murray, M.; Rosner, G.; Seitz, B.] Univ Glasgow, Sch Phys & Astron, SUPA, Glasgow G12 8QQ, Lanark, Scotland. [Diefenthaler, M.; Giordano, F.; Joosten, S.; Riedl, C.; Rubin, J.; Truty, R.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Airapetian, A.; Gliske, S.; Lorenzon, W.] Univ Michigan, Randall Lab Phys, Ann Arbor, MI 48109 USA. [Kozlov, V.; Terkulov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Blok, H. P.; Lapikas, L.; Steijger, J. J. M.] Natl Inst Subatom Phys Nikhef, NL-1009 DB Amsterdam, Netherlands. [Belostotski, S.; Kisselev, A.; Kravchenko, P.; Manaenkov, S. I.; Naryshkin, Y.; Veretennikov, D.; Vikhrov, V.] BP Konstantinov Petersburg Nucl Phys Inst, Gatchina 188300, Leningrad Regio, Russia. [Bryzgalov, V.; Gapienko, G.; Gapienko, V.; Ivanilov, A.; Korotkov, V.; Salomatin, Y.] Inst High Energy Phys, Protvino 142281, Moscow Region, Russia. [Schafer, A.] Univ Regensburg, Inst Theoret Phys, D-93040 Regensburg, Germany. [Cisbani, E.; Frullani, S.; Garibaldi, F.] Ist Nazl Fis Nucl, Sez Roma, Grp Coll Sanita, I-00161 Rome, Italy. [Cisbani, E.; Frullani, S.; Garibaldi, F.] Ist Super Sanita, I-00161 Rome, Italy. [Felawka, L.; Gavrilov, G.; Yen, S.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Miyachi, Y.; Shibata, T. -A.] Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. [Blok, H. P.] Vrije Univ Amsterdam, Dept Phys & Astron, NL-1081 HV Amsterdam, Netherlands. [Augustyniak, W.; Marianski, B.; Trzcinski, A.; Zupranski, P.] Natl Ctr Nucl Res, PL-00689 Warsaw, Poland. [Akopov, N.; Avetissian, A.; Elbakian, G.; Gharibyan, V.; Karyan, G.; Marukyan, H.; Movsisyan, A.; Petrosyan, A.; Taroian, S.] Yerevan Phys Inst, Yerevan 375036, Armenia. RP Airapetian, A (reprint author), Univ Giessen, Inst Phys 2, D-35392 Giessen, Germany. RI Cisbani, Evaristo/C-9249-2011; Kozlov, Valentin/M-8000-2015; Negodaev, Mikhail/A-7026-2014; Terkulov, Adel/M-8581-2015; OI Cisbani, Evaristo/0000-0002-6774-8473; Lagamba, Luigi/0000-0002-0233-9812; Deconinck, Wouter/0000-0003-4033-6716 FU national funding agencies FX We warmly thank Juan Rojo for his efforts in generating an unpublished NNPDF2.3LO PDF data set that includes the kinematic region of the HERMES experiment, and we gratefully acknowledge the DESY management for its support, the staff at DESY and the collaborating institutions for their significant effort, and our national funding agencies for financial support. NR 14 TC 22 Z9 22 U1 3 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 30 PY 2014 VL 89 IS 9 AR 097101 DI 10.1103/PhysRevD.89.097101 PG 5 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AJ9OH UT WOS:000338041400006 ER PT J AU Peng, T Zhang, ZP Abdesselam, A Adachi, I Aihara, H Arinstein, K Asner, DM Aulchenko, V Aushev, T Ayad, R Bakich, AM Bala, A Bhardwaj, V Bhuyan, B Bobrov, A Bondar, A Bonvicini, G Bozek, A Cervenkov, D Chekelian, V Chen, A Cheon, BG Cho, IS Cho, K Chobanova, V Choi, Y Cinabro, D Dalseno, J Danilov, M Dolezal, Z Drasal, Z Drutskoy, A Dutta, D Eidelman, S Epifanov, D Farhat, H Fast, JE Ferber, T Frost, O Gaur, V Ganguly, S Garmash, A Gillard, R Goh, YM Golob, B Haba, J Hara, T Hayasaka, K Hayashii, H He, XH Hoshi, Y Hou, WS Hyun, HJ Iijima, T Ishikawa, A Itoh, R Iwasaki, Y Iwashita, T Jaegle, I Julius, T Kang, JH Kato, E Katrenko, P Kawai, H Kawasaki, T Kichimi, H Kim, DY Kim, HJ Kim, JB Kim, JH Kim, MJ Kim, YJ Kinoshita, K Klucar, J Ko, BR Kodys, P Korpar, S Krizan, P Krokovny, P Kronenbitter, B Kuhr, T Kumar, R Kumita, T Kuzmin, A Lee, SH Li, Y Gioi, LL Libby, J Liu, C Liu, Y Liu, ZQ Liventsev, D Lukin, P Miyabayashi, K Miyata, H Mizuk, R Mohanty, GB Moll, A Mussa, R Nakao, M Natkaniec, Z Nayak, M Nedelkovska, E Nisar, NK Nishida, S Nitoh, O Ogawa, S Pakhlov, P Park, H Park, HK Pedlar, TK Pestotnik, R Petric, M Piilonen, LE Ribezl, E Ritter, M Rohrken, M Rostomyan, A Sahoo, H Saito, T Sakai, Y Sandilya, S Santel, D Santelj, L Sanuki, T Sato, Y Savinov, V Schneider, O Schnell, G Schwanda, C Schwartz, AJ Seidl, R Semmler, D Senyo, K Sevior, ME Shapkin, M Shebalin, V Shen, CP Shibata, TA Shiu, JG Shwartz, B Sibidanov, A Simon, F Sohn, YS Sokolov, A Solovieva, E Stanic, S Staric, M Sumiyoshi, T Tamponi, U Tatishvili, G Teramoto, Y Trabelsi, K Uchida, M Uehara, S Uglov, T Unno, Y Uno, S Urquijo, P Ushiroda, Y Usov, Y Van Hulse, C Vanhoefer, P Varner, G Varvell, KE Vinokurova, A Vorobyev, V Wagner, MN Wang, CH Wang, MZ Wang, P Wang, XL Watanabe, M Watanabe, Y Wehle, S Williams, KM Won, E Yamashita, Y Yashchenko, S Yook, Y Yuan, CZ Zhang, CC Zhilich, V Zhulanov, V Zupanc, A AF Peng, T. Zhang, Z. P. Abdesselam, A. Adachi, I. Aihara, H. Arinstein, K. Asner, D. M. Aulchenko, V. Aushev, T. Ayad, R. Bakich, A. M. Bala, A. Bhardwaj, V. Bhuyan, B. Bobrov, A. Bondar, A. Bonvicini, G. Bozek, A. Cervenkov, D. Chekelian, V. Chen, A. Cheon, B. G. Cho, I. -S. Cho, K. Chobanova, V. Choi, Y. Cinabro, D. Dalseno, J. Danilov, M. Dolezal, Z. Drasal, Z. Drutskoy, A. Dutta, D. Eidelman, S. Epifanov, D. Farhat, H. Fast, J. E. Ferber, T. Frost, O. Gaur, V. Ganguly, S. Garmash, A. Gillard, R. Goh, Y. M. Golob, B. Haba, J. Hara, T. Hayasaka, K. Hayashii, H. He, X. H. Hoshi, Y. Hou, W. -S. Hyun, H. J. Iijima, T. Ishikawa, A. Itoh, R. Iwasaki, Y. Iwashita, T. Jaegle, I. Julius, T. Kang, J. H. Kato, E. Katrenko, P. Kawai, H. Kawasaki, T. Kichimi, H. Kim, D. Y. Kim, H. J. Kim, J. B. Kim, J. H. Kim, M. J. Kim, Y. J. Kinoshita, K. Klucar, J. Ko, B. R. Kodys, P. Korpar, S. Krizan, P. Krokovny, P. Kronenbitter, B. Kuhr, T. Kumar, R. Kumita, T. Kuzmin, A. Lee, S. -H. Li, Y. Gioi, L. Li Libby, J. Liu, C. Liu, Y. Liu, Z. Q. Liventsev, D. Lukin, P. Miyabayashi, K. Miyata, H. Mizuk, R. Mohanty, G. B. Moll, A. Mussa, R. Nakao, M. Natkaniec, Z. Nayak, M. Nedelkovska, E. Nisar, N. K. Nishida, S. Nitoh, O. Ogawa, S. Pakhlov, P. Park, H. Park, H. K. Pedlar, T. K. Pestotnik, R. Petric, M. Piilonen, L. E. Ribezl, E. Ritter, M. Roehrken, M. Rostomyan, A. Sahoo, H. Saito, T. Sakai, Y. Sandilya, S. Santel, D. Santelj, L. Sanuki, T. Sato, Y. Savinov, V. Schneider, O. Schnell, G. Schwanda, C. Schwartz, A. J. Seidl, R. Semmler, D. Senyo, K. Sevior, M. E. Shapkin, M. Shebalin, V. Shen, C. P. Shibata, T. -A. Shiu, J. -G. Shwartz, B. Sibidanov, A. Simon, F. Sohn, Y. -S. Sokolov, A. Solovieva, E. Stanic, S. Staric, M. Sumiyoshi, T. Tamponi, U. Tatishvili, G. Teramoto, Y. Trabelsi, K. Uchida, M. Uehara, S. Uglov, T. Unno, Y. Uno, S. Urquijo, P. Ushiroda, Y. Usov, Y. Van Hulse, C. Vanhoefer, P. Varner, G. Varvell, K. E. Vinokurova, A. Vorobyev, V. Wagner, M. N. Wang, C. H. Wang, M. -Z. Wang, P. Wang, X. L. Watanabe, M. Watanabe, Y. Wehle, S. Williams, K. M. Won, E. Yamashita, Y. Yashchenko, S. Yook, Y. Yuan, C. Z. Zhang, C. C. Zhilich, V. Zhulanov, V. Zupanc, A. CA Belle Collaboration TI Measurement of D-0-(D) over bar(0) mixing and search for indirect CP violation using D-0 -> K-S(0)pi(+)pi(-) decays SO PHYSICAL REVIEW D LA English DT Article AB We report a measurement of D-0-(D) over bar(0) mixing parameters and a search for indirect CP violation through a time-dependent amplitude analysis of D-0 -> K-S(0)pi(+)pi(-) decays. The results are based on 921 fb(-1) of data accumulated with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider. Assuming CP conservation, we measure the mixing parameters x = (0.56 +/- 0.19(-0.09-0.09)(+0.03+0.06))% and y = (0.30 +/- 0.15(-0.05-0.06)(+0.04+0.03))%, where the errors are statistical, experimental systematic, and systematic due to the amplitude model, respectively. With CP violation allowed, the parameters vertical bar q/p vertical bar = 0.90(-0.15-0.04-0.05)(+0.16+0.05+0.06) and arg(q/p) = (- 6 +/- 11 +/- 3(-4)(+3))degrees are found to be consistent with conservation of CP symmetry in mixing and in the interference between mixing and decay, respectively. C1 [Schnell, G.; Van Hulse, C.] Univ Basque Country UPV EHU, Bilbao 48080, Spain. [Shen, C. P.] Beihang Univ, Beijing 100191, Peoples R China. [Urquijo, P.] Univ Bonn, D-53115 Bonn, Germany. [Arinstein, K.; Aulchenko, V.; Bobrov, A.; Bondar, A.; Eidelman, S.; Garmash, A.; Krokovny, P.; Kuzmin, A.; Lukin, P.; Shebalin, V.; Shwartz, B.; Usov, Y.; Vinokurova, A.; Vorobyev, V.; Zhilich, V.; Zhulanov, V.] SB RAS, Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Arinstein, K.; Aulchenko, V.; Bobrov, A.; Bondar, A.; Eidelman, S.; Garmash, A.; Krokovny, P.; Kuzmin, A.; Lukin, P.; Shebalin, V.; Shwartz, B.; Usov, Y.; Vinokurova, A.; Vorobyev, V.; Zhilich, V.; Zhulanov, V.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Cervenkov, D.; Dolezal, Z.; Drasal, Z.; Kodys, P.] Charles Univ Prague, Fac Math & Phys, CR-12116 Prague, Czech Republic. [Kawai, H.] Chiba Univ, Chiba 2638522, Japan. [Kinoshita, K.; Liu, Y.; Santel, D.; Schwartz, A. J.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Ferber, T.; Frost, O.; Rostomyan, A.; Wehle, S.; Yashchenko, S.] DESY, D-22607 Hamburg, Germany. [Semmler, D.; Wagner, M. N.] Univ Giessen, D-35392 Giessen, Germany. [Cheon, B. G.; Goh, Y. M.; Unno, Y.] Hanyang Univ, Seoul 133791, South Korea. [Jaegle, I.; Sahoo, H.; Varner, G.] Univ Hawaii, Honolulu, HI 96822 USA. [Adachi, I.; Haba, J.; Hara, T.; Itoh, R.; Iwasaki, Y.; Kichimi, H.; Liventsev, D.; Nakao, M.; Nishida, S.; Sakai, Y.; Trabelsi, K.; Uehara, S.; Uno, S.; Ushiroda, Y.] KEK, High Energy Accelerator Res Org, Tsukuba, Ibaraki 3050801, Japan. [Schnell, G.] Basque Fdn Sci, IKERBASQUE, Bilbao 48011, Spain. [Bhuyan, B.; Dutta, D.] Indian Inst Technol Guwahati, Gauhati 781039, Assam, India. [Libby, J.; Nayak, M.] Indian Inst Technol, Madras 600036, Tamil Nadu, India. [Liu, Z. Q.; Wang, P.; Yuan, C. Z.; Zhang, C. C.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Schwanda, C.] Inst High Energy Phys, A-1050 Vienna, Austria. [Shapkin, M.; Sokolov, A.] Inst High Energy Phys, Protvino 142281, Russia. [Mussa, R.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Aushev, T.; Danilov, M.; Drutskoy, A.; Katrenko, P.; Mizuk, R.; Pakhlov, P.; Solovieva, E.; Uglov, T.] Inst Theoret & Expt Phys, Moscow 117218, Russia. [Golob, B.; Klucar, J.; Korpar, S.; Krizan, P.; Pestotnik, R.; Petric, M.; Ribezl, E.; Santelj, L.; Staric, M.; Zupanc, A.] Jozef Stefan Inst, Ljubljana 1000, Slovenia. [Watanabe, Y.] Kanagawa Univ, Yokohama, Kanagawa 2218686, Japan. [Kronenbitter, B.; Kuhr, T.; Roehrken, M.] Karlsruher Inst Technol, Inst Expt Kernphys, D-76131 Karlsruhe, Germany. [Iwashita, T.] Univ Tokyo, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba 2778583, Japan. [Cho, K.; Kim, J. H.; Kim, Y. J.] Korea Inst Sci & Technol Informat, Taejon 305806, South Korea. [Kim, J. B.; Ko, B. R.; Lee, S. -H.; Won, E.] Korea Univ, Seoul 136713, South Korea. [Hyun, H. J.; Kim, H. J.; Kim, M. J.; Park, H.; Park, H. K.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Schneider, O.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Golob, B.; Krizan, P.] Univ Ljubljana, Fac Math & Phys, Ljubljana 1000, Slovenia. [Pedlar, T. K.] Luther Coll, Decorah, IA 52101 USA. 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M.] Virginia Polytech Inst & State Univ, CNP, Blacksburg, VA 24061 USA. [Bonvicini, G.; Cinabro, D.; Farhat, H.; Ganguly, S.; Gillard, R.] Wayne State Univ, Detroit, MI 48202 USA. [Senyo, K.] Yamagata Univ, Yamagata 9908560, Japan. [Cho, I. -S.; Kang, J. H.; Sohn, Y. -S.; Yook, Y.] Yonsei Univ, Seoul 120749, South Korea. RP Peng, T (reprint author), Univ Sci & Technol China, Hefei 230026, Peoples R China. RI Ishikawa, Akimasa/G-6916-2012; Aihara, Hiroaki/F-3854-2010; Uglov, Timofey/B-2406-2014; Pakhlov, Pavel/K-2158-2013; Danilov, Mikhail/C-5380-2014; Mizuk, Roman/B-3751-2014; Krokovny, Pavel/G-4421-2016; Katrenko, Petr/D-1229-2016; EPFL, Physics/O-6514-2016; Drutskoy, Alexey/C-8833-2016; Cervenkov, Daniel/D-2884-2017; Solovieva, Elena/B-2449-2014 OI Aihara, Hiroaki/0000-0002-1907-5964; Uglov, Timofey/0000-0002-4944-1830; Pakhlov, Pavel/0000-0001-7426-4824; Danilov, Mikhail/0000-0001-9227-5164; Krokovny, Pavel/0000-0002-1236-4667; Katrenko, Petr/0000-0002-8808-1786; Drutskoy, Alexey/0000-0003-4524-0422; Cervenkov, Daniel/0000-0002-1865-741X; Solovieva, Elena/0000-0002-5735-4059 FU MEXT; JSPS and Nagoya's TLPRC (Japan); ARC and DIISR (Australia); FWF (Austria); NSFC (China); MSMT (Czechia); CZF; DFG; VS (Germany); DST (India); INFN (Italy); MEST; NRF; GSDC of KISTI; WCU (Korea); MNiSW and NCN (Poland); MES and RFAAE (Russia); ARRS (Slovenia); IKERBASQUE and UPV/EHU (Spain); SNSF (Switzerland); NSC and MOE (Taiwan); DOE and NSF (USA) FX We thank the KEKB group for excellent operation of the accelerator, the KEK cryogenics group for efficient solenoid operations, and the KEK computer group, the NII, and PNNL/EMSL for valuable computing and SINET4 network support. We acknowledge support from MEXT, JSPS and Nagoya's TLPRC (Japan), ARC and DIISR (Australia), FWF (Austria), NSFC (China), MSMT (Czechia), CZF, DFG, and VS (Germany), DST (India), INFN (Italy), MEST, NRF, GSDC of KISTI, and WCU (Korea), MNiSW and NCN (Poland), MES and RFAAE (Russia), ARRS (Slovenia), IKERBASQUE and UPV/EHU (Spain), SNSF (Switzerland), NSC and MOE (Taiwan), and DOE and NSF (USA). NR 23 TC 9 Z9 9 U1 0 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 30 PY 2014 VL 89 IS 9 AR 091103 DI 10.1103/PhysRevD.89.091103 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AJ9OH UT WOS:000338041400001 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 Contri, 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 Biassoni, 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 Bunger, C Grunberg, O Hartmann, T Leddig, T Voss, C Waldi, R Adye, T Olaiya, EO Wilson, FF Emery, S de Monchenault, 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. Contri, R. Guido, E. Lo Vetere, M. 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. Biassoni, P. Neri, N. Palombo, F. Cremaldi, L. Godang, R. Sonnek, P. Summers, D. J. Simard, M. Taras, P. De Nardo, G. 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. de Monchenault, 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 Measurement of the B -> X(s)l(+)l(-) Branching Fraction and Search for Direct CP Violation from a Sum of Exclusive Final States SO PHYSICAL REVIEW LETTERS LA English DT Article ID FORWARD-BACKWARD ASYMMETRY; BABAR DETECTOR; PROBABILITY DENSITY; DECAY-RATE; LOGARITHMS; PHYSICS; LOOPS; MODEL AB We measure the total branching fraction of the flavor-changing neutral-current process B -> X(s)l(+)l(-), along with partial branching fractions in bins of dilepton and hadronic system (X-s) mass, using a sample of 471 x 10(6)Upsilon(4S) -> B (B) over bar events recorded with the BABAR detector. The admixture of charged and neutral B mesons produced at PEP-II2 are reconstructed by combining a dilepton pair with 10 different X-s final states. Extrapolating from a sum over these exclusive modes, we measure a lepton-flavor-averaged inclusive branching fraction B(B -> X(s)l(+)l(-)) = [6.73(-0.64)(+0.70)(stat)(-0.25)(+0.34)(exp syst) +/- 0.50(model syst)] x 10(-6) for m(l+l-)(2) > 0.1 GeV2/c(4). Restricting our analysis exclusively to final states from which a decaying B meson's flavor can be inferred, we additionally report measurements of the direct CP asymmetry A(CP) in bins of dilepton mass; over the full dilepton mass range, we find A(CP) = 0.04 +/- 0.11 +/- 0.01 for a leptonflavor-averaged sample. C1 [Lees, J. P.; Poireau, V.; Tisserand, V.] Univ Savoie, Lab Annecy le Vieux Phys Particules LAPP, CNRS, IN2P3, F-74941 Annecy Le Vieux, France. [Grauges, E.] Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain. 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[Lanceri, L.; Vitale, L.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Lanceri, L.; Vitale, L.] Univ Trieste, Dipartmento 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. [Carpinelli, M.] Univ Sassari, I-07100 Sassari, Italy. RP Lees, JP (reprint author), Univ Savoie, Lab Annecy le Vieux Phys Particules LAPP, CNRS, IN2P3, F-74941 Annecy Le Vieux, France. RI Calabrese, Roberto/G-4405-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Lusiani, Alberto/N-2976-2015; Forti, Francesco/H-3035-2011; Patrignani, Claudia/C-5223-2009; Oyanguren, Arantza/K-6454-2014; Monge, Maria Roberta/G-9127-2012; Luppi, Eleonora/A-4902-2015; White, Ryan/E-2979-2015; Kravchenko, Evgeniy/F-5457-2015; 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; OI Calabrese, Roberto/0000-0002-1354-5400; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Lusiani, Alberto/0000-0002-6876-3288; Forti, Francesco/0000-0001-6535-7965; Patrignani, Claudia/0000-0002-5882-1747; Oyanguren, Arantza/0000-0002-8240-7300; Monge, Maria Roberta/0000-0003-1633-3195; Luppi, Eleonora/0000-0002-1072-5633; White, Ryan/0000-0003-3589-5900; Bellis, Matthew/0000-0002-6353-6043; 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; Martinelli, Maurizio/0000-0003-4792-9178; Lanceri, Livio/0000-0001-8220-3095; Sciacca, Crisostomo/0000-0002-8412-4072 FU DOE; NSF (U.S.); NSERC (Canada); CEA; CNRS-IN2P3 (France); BMBF; DFG (Germany); INFN (Italy); FOM (Netherlands); NFR (Norway); MES (Russia); MINECO (Spain); STFC (United Kingdom); Marie Curie EIF (European Union); A. P. Sloan Foundation (U.S.) FX We are grateful to Enrico Lunghi, Tobias Hurth, and Tobias Huber for useful discussions, as well as providing dilepton mass-squared theory distributions derived using the most up-to-date corrections. We are additionally grateful for the excellent luminosity and machine conditions provided by our PEP-II2 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 (U.S.), NSERC (Canada), CEA and CNRS-IN2P3 (France), BMBF and DFG (Germany), INFN (Italy), FOM (Netherlands), NFR (Norway), MES (Russia), MINECO (Spain), and STFC (United Kingdom). Individuals have received support from the Marie Curie EIF (European Union) and the A. P. Sloan Foundation (U.S.). NR 68 TC 30 Z9 30 U1 1 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 30 PY 2014 VL 112 IS 21 AR 211802 DI 10.1103/PhysRevLett.112.211802 PG 8 WC Physics, Multidisciplinary SC Physics GA AJ9MD UT WOS:000338034400002 ER PT J AU Pramanick, A Wang, XL Stoica, AD Yu, C Ren, Y Tang, S Gai, Z AF Pramanick, A. Wang, X. -L. Stoica, A. D. Yu, C. Ren, Y. Tang, S. Gai, Z. TI Kinetics of Magnetoelastic Twin-Boundary Motion in Ferromagnetic Shape-Memory Alloys SO PHYSICAL REVIEW LETTERS LA English DT Article ID NI-MN-GA; FIELD; MARTENSITE; MAGNETOPLASTICITY; DEFORMATION; EVOLUTION; DYNAMICS; NIMNGA; MEDIA; CREEP AB We report the kinetics of twin-boundary motion in the ferromagnetic shape-memory alloy of Ni-Mn-Ga as measured by in situ high energy synchrotron diffraction. The temporal evolution of twin reorientation during the application of a magnetic field is described by thermally activated creep motion of twin boundaries over a distribution of energy barriers. The dynamical creep exponent mu was found to be similar to 0.5, suggesting that the distribution of energy barriers is a result of short-range disorders. C1 [Pramanick, A.; Wang, X. -L.] City Univ Hong Kong, Dept Phys & Mat Sci, Hong Kong, Hong Kong, Peoples R China. [Pramanick, A.; Stoica, A. D.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Yu, C.] China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China. [Yu, C.; Ren, Y.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Tang, S.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Tang, S.; Gai, Z.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Pramanick, A (reprint author), City Univ Hong Kong, Dept Phys & Mat Sci, Hong Kong, Hong Kong, Peoples R China. EM apramani@cityu.edu.hk; xlwang@cityu.edu.hk RI Gai, Zheng/B-5327-2012; Pramanick, Abhijit/D-9578-2011; Stoica, Alexandru/K-3614-2013; Wang, Xun-Li/C-9636-2010; OI Gai, Zheng/0000-0002-6099-4559; Pramanick, Abhijit/0000-0003-0687-4967; Stoica, Alexandru/0000-0001-5118-0134; Wang, Xun-Li/0000-0003-4060-8777; Yu, Cun/0000-0003-0084-6746 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL); UT-Battelle, LLC for the U. S. Department of Energy [DE-AC05-00OR22725]; Research Grants Council of Hong Kong Special Administrative Region [CityU 122713]; U.S. DOE [DE-AC02-06CH11357]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC for the U. S. Department of Energy under Contract No. DE-AC05-00OR22725. X.-L. W. acknowledges the support by a grant from the Research Grants Council of Hong Kong Special Administrative Region (Project No. CityU 122713). Use of the Advanced Photon Source (APS), 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. Technical assistance from Richard Spence during experiments at APS is gratefully acknowledged. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 37 TC 5 Z9 5 U1 8 U2 65 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 30 PY 2014 VL 112 IS 21 AR 217205 DI 10.1103/PhysRevLett.112.217205 PG 5 WC Physics, Multidisciplinary SC Physics GA AJ9MD UT WOS:000338034400008 ER PT J AU Chan, YGY Kim, HK Schneewind, O Missiakas, D AF Chan, Yvonne Gar-Yun Kim, Hwan Keun Schneewind, Olaf Missiakas, Dominique TI The Capsular Polysaccharide of Staphylococcus aureus Is Attached to Peptidoglycan by the LytR-CpsA-Psr (LCP) Family of Enzymes SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article DE Carbohydrate Biosynthesis; Cell Wall; Peptidoglycan; Staphylococcus aureus (S; aureus); Teichoic Acid; LytR-CpsA-Psr; Capsular Polysaccharide; Hydrolase; Undecaprenol ID GRAM-POSITIVE BACTERIA; GROUP-B STREPTOCOCCUS; WALL TEICHOIC-ACIDS; CELL-WALL; BACILLUS-SUBTILIS; ESCHERICHIA-COLI; MOLECULAR CHARACTERIZATION; FUNCTIONAL-ANALYSIS; SURFACE-PROTEINS; O-ACETYLATION AB Envelope biogenesis in bacteria involves synthesis of intermediates that are tethered to the lipid carrier undecaprenol-phosphate. LytR-CpsA-Psr (LCP) enzymes have been proposed to catalyze the transfer of undecaprenol-linked intermediates onto the C6-hydroxyl of MurNAc in peptidoglycan, thereby promoting attachment of wall teichoic acid (WTA) in bacilli and staphylococci and capsular polysaccharides (CPS) in streptococci. S. aureus encodes three lcp enzymes, and a variant lacking all three genes (lcp) releases WTA from the bacterial envelope and displays a growth defect. Here, we report that the type 5 capsular polysaccharide (CP5) of Staphylococcus aureus Newman is covalently attached to the glycan strands of peptidoglycan. Cell wall attachment of CP5 is abrogated in the lcp variant, a defect that is best complemented via expression of lcpC in trans. CP5 synthesis and peptidoglycan attachment are not impaired in the tagO mutant, suggesting that CP5 synthesis does not involve the GlcNAc-ManNAc linkage unit of WTA and may instead utilize another Wzy-type ligase to assemble undecaprenyl-phosphate intermediates. Thus, LCP enzymes of S. aureus are promiscuous enzymes that attach secondary cell wall polymers with discrete linkage units to peptidoglycan. C1 [Chan, Yvonne Gar-Yun; Kim, Hwan Keun; Schneewind, Olaf; Missiakas, Dominique] Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA. [Schneewind, Olaf; Missiakas, Dominique] Argonne Natl Lab, Howard Taylor Ricketts Lab, Argonne, IL 60439 USA. RP Missiakas, D (reprint author), Univ Chicago, Dept Microbiol, 920 East 58th Str, Chicago, IL 60637 USA. EM dmissiak@bsd.uchicago.edu FU National Institutes of Health from the NIAID [AI38897]; Novartis Vaccines and Diagnostics (Siena, Italy); Region V "Great Lakes" Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (GLRCE); National Institutes of Health NIAID [1-U54-AI-057153]; American Heart Association [13POST16980091] FX This work was supported, in whole or in part, by National Institutes of Health Grant AI38897 from the NIAID and Novartis Vaccines and Diagnostics (Siena, Italy). The authors acknowledge membership within and support from the Region V "Great Lakes" Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (GLRCE) supported by National Institutes of Health NIAID Award 1-U54-AI-057153.; Supported by American Heart Association Award 13POST16980091. NR 72 TC 19 Z9 19 U1 2 U2 22 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 EI 1083-351X J9 J BIOL CHEM JI J. Biol. Chem. PD MAY 30 PY 2014 VL 289 IS 22 BP 15680 EP 15690 DI 10.1074/jbc.M114.567669 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AJ2DL UT WOS:000337465400049 PM 24753256 ER PT J AU Holcomb, J Jiang, YY Guan, XQ Trescott, L Lu, GR Hou, YN Wang, S Brunzelle, J Sirinupong, N Li, CY Yang, Z AF Holcomb, Joshua Jiang, Yuanyuan Guan, Xiaoqing Trescott, Laura Lu, Guorong Hou, Yuning Wang, Shuo Brunzelle, Joseph Sirinupong, Nualpun Li, Chunying Yang, Zhe TI Crystal structure of the NHERF1 PDZ2 domain in complex with the chemokine receptor CXCR2 reveals probable modes of PDZ2 dimerization SO BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS LA English DT Article DE NHERF1; CXCR2; X-ray crystallography; Scaffold protein; Dimerization; Neutrophil ID TRANSMEMBRANE CONDUCTANCE REGULATOR; MACROMOLECULAR COMPLEX; PARATHYROID-HORMONE; PROTEIN; TARGET; ZO-1 AB The formation of CXCR2-NHERF1-PLC beta 2 macromolecular complex in neutrophils regulates CXCR2 signaling and plays a key role in neutrophil chemotaxis and transepithelial neutrophilic migration. However, NHERF1 by itself, with only two PDZ domains, has a limited capacity in scaffolding the multiprotein-complex formation. Here we report the crystal structure of the NHERF1 PDZ2 domain in complex with the C-terminal CXCR2 sequence. The structure reveals that the PDZ2-CXCR2 binding specificity is achieved by numerous hydrogen bonds and hydrophobic contacts with the last four CXCR2 residues contributing to specific interactions. The structure also reveals two probable modes of PDZ2 dimerization where the two canonical ligand-binding pockets are well separated and orientated in a unique parallel fashion. This study provides not only the structural basis for the PDZ-mediated NHERF1-CXCR2 interaction, but also an additional example of how PDZ domains may dimerize, which both could prove valuable in understanding NHERF1 complex-scaffolding function in neutrophils. (C) 2014 Published by Elsevier Inc. C1 [Holcomb, Joshua; Jiang, Yuanyuan; Guan, Xiaoqing; Trescott, Laura; Lu, Guorong; Hou, Yuning; Wang, Shuo; Li, Chunying; Yang, Zhe] Wayne State Univ, Sch Med, Dept Biochem & Mol Biol, Detroit, MI USA. [Brunzelle, Joseph] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Sirinupong, Nualpun] Prince Songkla Univ, Nutraceut & Funct Food Res & Dev Ctr, Hat Yai, Songkhla, Thailand. RP Li, CY (reprint author), 540 E Canfield St, Detroit, MI 48201 USA. EM cl@med.wayne.edu; zyang@med.wayne.edu FU Leukemia Research Foundation; Aplastic Anemia & MDS International Foundation; American Heart Association [0835085N]; Elsa U. Pardee Foundation; American Heart Association; American Cancer Society Institutional Research [11-053-01-IRG] FX This study was supported by the Leukemia Research Foundation, Aplastic Anemia & MDS International Foundation, and American Heart Association Grant number 0835085N (to Z.Y.) and from the Elsa U. Pardee Foundation, American Heart Association, and American Cancer Society Institutional Research Grant #11-053-01-IRG (to C.L.). NR 30 TC 1 Z9 1 U1 0 U2 6 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0006-291X EI 1090-2104 J9 BIOCHEM BIOPH RES CO JI Biochem. Biophys. Res. Commun. PD MAY 30 PY 2014 VL 448 IS 2 BP 169 EP 174 DI 10.1016/j.bbrc.2014.04.085 PG 6 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA AI5EA UT WOS:000336887000009 PM 24768637 ER PT J AU Yi, J Soares, AS Richter-Addo, GB AF Yi, Jun Soares, Alexei S. Richter-Addo, George B. TI Crystallographic characterization of the nitric oxide derivative of R-state human hemoglobin SO NITRIC OXIDE-BIOLOGY AND CHEMISTRY LA English DT Article DE Hemoglobin; Iron; Nitric oxide; X-ray; Nitrosy1 ID ANGSTROM RESOLUTION; PARAMAGNETIC-RESONANCE; QUATERNARY STRUCTURE; MOLECULAR-BASIS; NO; CLEAVAGE; BINDING; HEME AB Nitric oxide (NO) is a signaling agent that is biosynthesized in vivo. NO binds to the heme center in human hemoglobin (Hb) to form the HbNO adduct. This reaction of NO with Hb has been studied for many decades. Of continued interest has been the effect that the bound NO ligand has on the geometrical parameters of the resulting heme-NO active site. Although the crystal structure of a T-state human HbNO complex has been published previously, that of the high affinity R-state HbNO derivative has not been reported to date. We have crystallized and solved the three-dimensional X-ray structure of R-state human HbNO to 1.90 angstrom resolution. The differences in the FeNO bond parameters and H-bonding patterns between the alpha and beta subunits contribute to understanding of the observed enhanced stability of the alpha(FeNO) moieties relative to the beta(FeNO) moieties in human R-state HbNO. (C) 2014 Elsevier Inc. All rights reserved. C1 [Yi, Jun; Richter-Addo, George B.] Univ Oklahoma, Dept Chem & Biochem, Norman, OK 73019 USA. [Yi, Jun] Nanjing Univ Sci & Technol, Dept Biol Engn, Nanjing 210094, Jiangsu, Peoples R China. [Soares, Alexei S.] Brookhaven Natl Lab, Macromol Crystallog Res Resource, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Yi, J (reprint author), Univ Oklahoma, Dept Chem & Biochem, 101 Stephenson Pkwy, Norman, OK 73019 USA. EM grichteraddo@ou.edu FU U.S. National Science Foundation [CHE-1213674]; National Science Foundation of China [NSFC-21271104, NSFC-312000555]; Offices of Biological and Environmental Research; Basic Energy Sciences of the US Department of Energy; National Center for Research Resources [P41RR012408]; National Institute of General Medical Sciences of the National Institutes of Health [P41GM103473] FX We are grateful to the U.S. National Science Foundation (CHE-1213674 to G.B.R.A.) and to the National Science Foundation of China (NSFC-21271104 and NSFC-312000555 to J.Y.) for funding for this work. Data for this study were measured at beamline x29 of the National Synchrotron Light Source, utilizing the mail-in program. Financial support for NSLS comes principally from the Offices of Biological and Environmental Research and of Basic Energy Sciences of the US Department of Energy, and from the National Center for Research Resources (P41RR012408) and the National Institute of General Medical Sciences (P41GM103473) of the National Institutes of Health. NR 32 TC 1 Z9 1 U1 1 U2 12 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1089-8603 EI 1089-8611 J9 NITRIC OXIDE-BIOL CH JI Nitric Oxide-Biol. Chem. PD MAY 30 PY 2014 VL 39 BP 46 EP 50 DI 10.1016/j.niox.2014.04.001 PG 5 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA AI5DM UT WOS:000336885600006 PM 24769418 ER PT J AU Flynn, TM O'Loughlin, EJ Mishra, B DiChristina, TJ Kemner, KM AF Flynn, Theodore M. O'Loughlin, Edward J. Mishra, Bhoopesh DiChristina, Thomas J. Kemner, Kenneth M. TI Sulfur-mediated electron shuttling during bacterial iron reduction SO SCIENCE LA English DT Article ID MICROBIAL REDUCTION; DISSOLVED SULFIDE; SULFATE REDUCTION; AQUIFER; FE(III); LIFE; GEOCHEMISTRY; FERRIHYDRITE; GROUNDWATER; KINETICS AB Microbial reduction of ferric iron [Fe(III)] is an important biogeochemical process in anoxic aquifers. Depending on groundwater pH, dissimilatory metal-reducing bacteria can also respire alternative electron acceptors to survive, including elemental sulfur (S degrees). To understand the interplay of Fe/S cycling under alkaline conditions, we combined thermodynamic geochemical modeling with bioreactor experiments using Shewanella oneidensis MR-1. Under these conditions, S. oneidensis can enzymatically reduce S degrees but not goethite (alpha-FeOOH). The HS- produced subsequently reduces goethite abiotically. Because of the prevalence of alkaline conditions in many aquifers, Fe(III) reduction may thus proceed via S degrees-mediated electron-shuttling pathways. C1 [Flynn, Theodore M.; O'Loughlin, Edward J.; Mishra, Bhoopesh; Kemner, Kenneth M.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Flynn, Theodore M.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Mishra, Bhoopesh] IIT, Dept Phys, Chicago, IL 60616 USA. [DiChristina, Thomas J.] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. RP Kemner, KM (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kemner@anl.gov OI Flynn, Theodore/0000-0002-1838-8942; O'Loughlin, Edward/0000-0003-1607-9529 FU Subsurface Biogeochemical Research Program, U.S. Department of Energy (DOE) Office of Science, Office of Biological and Environmental Research, under DOE [DE-AC02-06CH11357]; NSF-Earth Sciences [EAR-1128799]; DOE-GeoSciences [DE-FG02-94ER14466]; DOE Office of Science, Office of Basic Energy Sciences; Argonne Director's Fellowship; National Institute of Allergy and Infectious Diseases, NIH, Department of Health and Human Service [HHSN272200900040C]; NSF (Molecular and Cellular Biosciences) [1021735] FX This research is part of the Subsurface Science Scientific Focus Area at Argonne National Laboratory supported by the Subsurface Biogeochemical Research Program, U.S. Department of Energy (DOE) Office of Science, Office of Biological and Environmental Research, under DOE contract DE-AC02-06CH11357. We appreciate the technical assistance of M. Newville, and A. Lanzirotti. K. Nealson, J. Fredrickson, and K. Haugen provided helpful comments that improved the manuscript. X-ray analyses were conducted at Argonne National Laboratory's Advanced Photon Source (APS), GeoSoilEnviroCARS (Sector 13), supported by NSF-Earth Sciences (EAR-1128799) and DOE-GeoSciences (DE-FG02-94ER14466). Use of the APS was supported by the DOE Office of Science, Office of Basic Energy Sciences. T. F. was supported in part by an Argonne Director's Fellowship and the National Institute of Allergy and Infectious Diseases, NIH, Department of Health and Human Service (contract no. HHSN272200900040C). T. D. was supported by NSF (Molecular and Cellular Biosciences grant no. 1021735). All additional data have been archived in the supplementary materials. NR 30 TC 28 Z9 30 U1 21 U2 149 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 MAY 30 PY 2014 VL 344 IS 6187 BP 1039 EP 1042 DI 10.1126/science.1252066 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AH9WM UT WOS:000336495800048 PM 24789972 ER PT J AU Qian, X Wang, W AF Qian, Xin Wang, Wei TI Reactor neutrino experiments: theta(13) and beyond SO MODERN PHYSICS LETTERS A LA English DT Review DE theta(13); precision measurements; mass hierarchy ID FISSION-PRODUCTS; ANTINEUTRINO SPECTRA; OSCILLATIONS; PU-239 AB We review the current-generation short-baseline reactor neutrino experiments that have firmly established the third neutrino mixing angle theta(13) to be nonzero. The relative large value of theta(13) (around 9 degrees)has opened many new and exciting opportunities for future neutrino experiments. Daya Bay experiment with the first measurement of Delta m(ee)(2) is aiming for a precision measurement of this atmospheric mass-squared splitting with a comparable precision as Delta m(mu mu)(2) from accelerator muon neutrino experiments. JUNO, a next-generation reactor neutrino experiment, is targeting to determine the neutrino mass hierarchy(MH)with medium baselines (similar to 50km). Beside these opportunities enabled by the large theta(13), the current-generation (Daya Bay, Double Chooz, and RENO) and the next-generation (JUNO, RENO-50, and PROSPECT) reactor experiments, with their unprecedented statistics, are also leading the precision era of the three-flavor neutrino oscillation physics as well as constraining new physics beyond the neutrino Standard Model. C1 [Qian, Xin] Brookhaven Natl Lab, Upton, NY 11973 USA. [Wang, Wei] Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. RP Qian, X (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM xqian@bnl.gov; wswang@wm.edu OI Qian, Xin/0000-0002-7903-7935 FU National Science Foundation; Department of Energy [DE-AC02-98CH10886] FX We would like to thank Zhizhong Xing, Dmitry Naumov and Karsten Heeger for helpful inputs. This work was supported in part by the National Science Foundation and the Department of Energy under contracts DE-AC02-98CH10886. NR 60 TC 2 Z9 2 U1 0 U2 5 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-7323 EI 1793-6632 J9 MOD PHYS LETT A JI Mod. Phys. Lett. A PD MAY 30 PY 2014 VL 29 IS 16 AR 1430016 DI 10.1142/S021773231430016X PG 18 WC Physics, Nuclear; Physics, Particles & Fields; Physics, Mathematical SC Physics GA AH9VT UT WOS:000336493600001 ER PT J AU Lopez-Garriga, J Wymore, T Pietri, R Roman-Morales, EM Rios-Gonzalez, B Arbelo, H AF Lopez-Garriga, Juan Wymore, Troy Pietri, Ruth Roman-Morales, Elddie M. Rios-Gonzalez, Bessie Arbelo, Hector TI Hydrogen sulfide activation by hemeproteins: Implications of the sulfheme scenario SO NITRIC OXIDE-BIOLOGY AND CHEMISTRY LA English DT Meeting Abstract CT 3rd International Conference on H2S Biology and Medicine CY JUN 04-06, 2014 CL Kyoto, JAPAN SP Antibe Therapeut Inc, Sulfagenix, Inc, Fondazione Int Menarini, Asahi Kasei Pharma Corp, Kobayashi Pharmaceut Co, Ltd, Noevir Holdings Co, Ltd C1 [Lopez-Garriga, Juan; Pietri, Ruth; Roman-Morales, Elddie M.; Rios-Gonzalez, Bessie; Arbelo, Hector] Univ Puerto Rico, Dept Chem, Mayaguez, Peoples R China. [Wymore, Troy] Oak Ridge Natl Lab, Oak Ridge, TN USA. NR 0 TC 1 Z9 1 U1 1 U2 4 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1089-8603 EI 1089-8611 J9 NITRIC OXIDE-BIOL CH JI Nitric Oxide-Biol. Chem. PD MAY 30 PY 2014 VL 39 SU 1 BP S43 EP S43 DI 10.1016/j.niox.2014.03.140 PG 1 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA AH7UL UT WOS:000336340700137 ER PT J AU Ginley, D Granqvist, C Kamiya, T Shigesato, Y Hosono, H AF Ginley, David Granqvist, Claes Kamiya, Toshio Shigesato, Yuzo Hosono, Hideo TI Preface SO THIN SOLID FILMS LA English DT Editorial Material AB \ C1 [Ginley, David] NREL, Golden, CO 80401 USA. [Granqvist, Claes] Uppsala Univ, Uppsala, Sweden. [Kamiya, Toshio; Hosono, Hideo] Tokyo Tech, Tokyo, Japan. [Shigesato, Yuzo] Aoyama Gakuin Univ, Tokyo 150, Japan. RP Ginley, D (reprint author), NREL, Golden, CO 80401 USA. RI Kamiya, Toshio/E-8615-2014 OI Kamiya, Toshio/0000-0002-8358-240X NR 0 TC 1 Z9 1 U1 1 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD MAY 30 PY 2014 VL 559 BP 1 EP 1 DI 10.1016/j.tsf.2014.04.050 PG 1 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA AG5EZ UT WOS:000335443500001 ER PT J AU Freitas, A Lykken, J Kell, S Westhoff, S AF Freitas, A. Lykken, J. Kell, S. Westhoff, S. TI Testing the muon g-2 anomaly at the LHC SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Beyond Standard Model; Gauge Symmetry ID STANDARD MODEL; DIPOLE-MOMENT; AMPLITUDES; PHYSICS AB The long-standing difference between the experimental measurement and the standard-model prediction for the muon's anomalous magnetic moment, a(mu) = (g(mu) - 2)/2, may be explained by the presence of new weakly interacting particles with masses of a few 100 GeV. Particles of this kind can generally be directly produced at the LHC, and thus they may already be constrained by existing data. In this work, we investigate this connection between a(mu) and the LHC in a model-independent approach, by introducing one or two new fields beyond the standard model with spin and weak isospin up to one. For each case, we identify the preferred parameter space for explaining the discrepancy of a(mu) and derive bounds using data from LEP and the 8TeV LHC run. Furthermore, we estimate how these limits could be improved with the 14TeV LHC. We find that the 8TeV results already rule out a subset of our simplified models, while almost all viable scenarios can be tested conclusively with 14TeV data. C1 [Freitas, A.; Kell, S.; Westhoff, S.] Univ Pittsburgh, Dept Phys & Astron, PITTsburgh Particlephys Astophys & Cosmol Ctr PIT, Pittsburgh, PA 15260 USA. [Lykken, J.] Dept Theoret Phys, Fermilab, Batavia, IL 60510 USA. RP Freitas, A (reprint author), Univ Pittsburgh, Dept Phys & Astron, PITTsburgh Particlephys Astophys & Cosmol Ctr PIT, Pittsburgh, PA 15260 USA. EM afreitas@pitt.edu; lykken@fnal.gov; sds61@pitt.edu; suw22@pitt.edu FU National Science Foundation [PHY-1212635]; Fermi Research Alliance, LLC [DE-AC02-07CH11359]; United States Department of Energy FX This work was supported in part by the National Science Foundation, grant PHY-1212635. Fermilab is operated by Fermi Research Alliance, LLC, under Contract No. DE-AC02-07CH11359 with the United States Department of Energy. NR 42 TC 17 Z9 17 U1 0 U2 1 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 MAY 29 PY 2014 IS 5 AR 145 DI 10.1007/JHEP05(2014)145 PG 36 WC Physics, Particles & Fields SC Physics GA AY9EU UT WOS:000347853400002 ER PT J AU Nisar, NK Trabelsi, K Mohanty, GB Aziz, T Abdesselam, A Adachi, I Aihara, H Arinstein, K Asner, DM Aulchenko, V Aushev, T Ayad, R Bahinipati, S Bakich, AM Bala, A Bansal, V Behera, P Belous, K Bhardwaj, V Bobrov, A Bonvicini, G Bozek, A Bracko, M Browder, TE Cervenkov, D Cheon, BG Chilikin, K Cho, K Chobanova, V Choi, Y Cinabro, D Dalseno, J Danilov, M Dolezal, Z Drasal, Z Drutskoy, A Dutta, D Dutta, K Eidelman, S Epifanov, D Farhat, H Fast, JE Ferber, T Gaur, V Gabyshev, N Ganguly, S Garmash, A Goh, YM Golob, B Hara, T Hayashii, H He, XH Hoshi, Y Hou, WS Iijima, T Ishikawa, A Itoh, R Iwasaki, Y Iwashita, T Kang, JH Kawasaki, T Kiesling, C Kim, DY Kim, JB Kim, JH Kim, MJ Kim, YJ Kinoshita, K Ko, BR Kodys, P Korpar, S Krizan, P Krokovny, P Kuhr, T Kumar, R Kuzmin, A Kwon, YJ Lange, JS Lee, SH Gioi, LL Libby, J Liventsev, D Lukin, P Macek, B Matvienko, D Miyabayashi, K Miyata, H Mizuk, R Moll, A Mussa, R Nakano, E Nakao, M Nayak, M Nedelkovska, E Nitoh, O Ogawa, S Okuno, S Pakhlov, P Pakhlova, G Park, H Park, HK Pedlar, TK Peng, T Pestotnik, R Petric, M Piilonen, LE Ribezl, E Ritter, M Rohrken, M Rostomyan, A Sakai, Y Sandilya, S Santelj, L Sanuki, T Sato, Y Schneider, O Schnell, G Schwanda, C Schwartz, AJ Semmler, D Senyo, K Seon, O Sevior, ME Shapkin, M Shebalin, V Shibata, TA Shiu, JG Shwartz, B Simon, F Sohn, YS Sokolov, A Solovieva, E Stanic, S Staric, M Steder, M Stypula, J Sumiyoshi, T Tatishvili, G Teramoto, Y Uchida, M Uglov, T Uno, S Urquijo, P Usov, Y Vahsen, SE Van Hulse, C Vanhoefer, P Varner, G Varvell, KE Wagner, N Wang, CH Wang, MZ Wang, P Watanabe, Y Williams, KM Won, E Yamaoka, J Yamashita, Y Yashchenko, S Yook, Y Zhang, ZP Zhilich, V Zhulanov, V Zupanc, A AF Nisar, N. K. Trabelsi, K. Mohanty, G. B. Aziz, T. Abdesselam, A. Adachi, I. Aihara, H. Arinstein, K. Asner, D. M. Aulchenko, V. Aushev, T. Ayad, R. Bahinipati, S. Bakich, A. M. Bala, A. Bansal, V. Behera, P. Belous, K. Bhardwaj, V. Bobrov, A. Bonvicini, G. Bozek, A. Bracko, M. Browder, T. E. Cervenkov, D. Cheon, B. G. Chilikin, K. Cho, K. Chobanova, V. Choi, Y. Cinabro, D. Dalseno, J. Danilov, M. Dolezal, Z. Drasal, Z. Drutskoy, A. Dutta, D. Dutta, K. Eidelman, S. Epifanov, D. Farhat, H. Fast, J. E. Ferber, T. Gaur, V. Gabyshev, N. Ganguly, S. Garmash, A. Goh, Y. M. Golob, B. Hara, T. Hayashii, H. He, X. H. Hoshi, Y. Hou, W. -S. Iijima, T. Ishikawa, A. Itoh, R. Iwasaki, Y. Iwashita, T. Kang, J. H. Kawasaki, T. Kiesling, C. Kim, D. Y. Kim, J. B. Kim, J. H. Kim, M. J. Kim, Y. J. Kinoshita, K. Ko, B. R. Kodys, P. Korpar, S. Krizan, P. Krokovny, P. Kuhr, T. Kumar, R. Kuzmin, A. Kwon, Y. -J. Lange, J. S. Lee, S. -H. Gioi, L. Li Libby, J. Liventsev, D. Lukin, P. Macek, B. Matvienko, D. Miyabayashi, K. Miyata, H. Mizuk, R. Moll, A. Mussa, R. Nakano, E. Nakao, M. Nayak, M. Nedelkovska, E. Nitoh, O. Ogawa, S. Okuno, S. Pakhlov, P. Pakhlova, G. Park, H. Park, H. K. Pedlar, T. K. Peng, T. Pestotnik, R. Petric, M. Piilonen, L. E. Ribezl, E. Ritter, M. Roehrken, M. Rostomyan, A. Sakai, Y. Sandilya, S. Santelj, L. Sanuki, T. Sato, Y. Schneider, O. Schnell, G. Schwanda, C. Schwartz, A. J. Semmler, D. Senyo, K. Seon, O. Sevior, M. E. Shapkin, M. Shebalin, V. Shibata, T. -A. Shiu, J. -G. Shwartz, B. Simon, F. Sohn, Y. -S. Sokolov, A. Solovieva, E. Stanic, S. Staric, M. Steder, M. Stypula, J. Sumiyoshi, T. Tatishvili, G. Teramoto, Y. Uchida, M. Uglov, T. Uno, S. Urquijo, P. Usov, Y. Vahsen, S. E. Van Hulse, C. Vanhoefer, P. Varner, G. Varvell, K. E. Wagner, N. Wang, C. H. Wang, M. -Z. Wang, P. Watanabe, Y. Williams, K. M. Won, E. Yamaoka, J. Yamashita, Y. Yashchenko, S. Yook, Y. Zhang, Z. P. Zhilich, V. Zhulanov, V. Zupanc, A. CA Belle Collaboration TI Search for CP Violation in D-0 -> pi(0)pi(0) Decays SO PHYSICAL REVIEW LETTERS LA English DT Article ID ASYMMETRY AB We search for CP violation in neutral charm meson decays using a data sample with an integrated luminosity of 966 fb(-1) collected with the Belle detector at the KEKB e(+)e(-) asymmetric-energy collider. The asymmetry obtained in the rate of D-0 and (D) over bar (0) decays to the pi(0)pi(0) final state, [-0.03 +/- 0.64(stat) +/- 0.10(syst)]%, is consistent with no CP violation. This constitutes an order of magnitude improvement over the existing result. We also present an updated measurement of the CP asymmetry in the D-0 -> K-S(0)pi(0) decay: A(CP)(D-0 -> K-S(0)pi(0)) = [-0.21 +/- 0.16(stat) +/- 0.07(syst)]%. C1 [Schnell, G.; Van Hulse, C.] Univ Basque Country, UPV EHU, Bilbao 48080, Spain. [Urquijo, P.] Univ Bonn, D-53115 Bonn, Germany. [Arinstein, K.; Aulchenko, V.; Bobrov, A.; Eidelman, S.; Gabyshev, N.; Garmash, A.; Krokovny, P.; Kuzmin, A.; Lukin, P.; Matvienko, D.; Shebalin, V.; Shwartz, B.; Usov, Y.; Zhilich, V.; Zhulanov, V.] Budker Inst Nucl Phys SB RAS, Novosibirsk 630090, Russia. [Arinstein, K.; Aulchenko, V.; Bobrov, A.; Eidelman, S.; Gabyshev, N.; Garmash, A.; Krokovny, P.; Kuzmin, A.; Lukin, P.; Matvienko, D.; Shebalin, V.; Shwartz, B.; Usov, Y.; Zhilich, V.; Zhulanov, V.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Cervenkov, D.; Dolezal, Z.; Drasal, Z.; Kodys, P.] Charles Univ Prague, Fac Math & Phys, Prague 12116, Czech Republic. [Kinoshita, K.; Schwartz, A. J.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Ferber, T.; Rostomyan, A.; Steder, M.; Yashchenko, S.] DESY, D-22607 Hamburg, Germany. [Lange, J. S.; Semmler, D.; Wagner, N.] Univ Giessen, D-35392 Giessen, Germany. [Cheon, B. G.; Goh, Y. M.] Hanyang Univ, Seoul 133791, South Korea. [Browder, T. E.; Macek, B.; Vahsen, S. E.; Varner, G.] Univ Hawaii, Honolulu, HI 96822 USA. [Trabelsi, K.; Adachi, I.; Hara, T.; Itoh, R.; Iwasaki, Y.; Liventsev, D.; Nakao, M.; Sakai, Y.; Uno, S.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Schnell, G.] Basque Fdn Sci, IKERBASQUE, Bilbao 48011, Spain. [Dutta, D.; Dutta, K.] Indian Inst Technol Guwahati, Gauhati 781039, Assam, India. [Abdesselam, A.; Behera, P.; Libby, J.; Nayak, M.] Indian Inst Technol, Madras 600036, Tamil Nadu, India. [Wang, P.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Schwanda, C.] Inst High Energy Phys, A-1050 Vienna, Austria. [Belous, K.; Shapkin, M.; Sokolov, A.] Inst High Energy Phys, Protvino 142281, Russia. [Mussa, R.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Abdesselam, A.; Aushev, T.; Chilikin, K.; Danilov, M.; Drutskoy, A.; Mizuk, R.; Pakhlov, P.; Pakhlova, G.; Solovieva, E.; Uglov, T.] Inst Theoret & Expt Phys, Moscow 117218, Russia. [Bracko, M.; Golob, B.; Korpar, S.; Krizan, P.; Pestotnik, R.; Petric, M.; Ribezl, E.; Santelj, L.; Staric, M.; Zupanc, A.] Jozef Stefan Inst, Ljubljana 1000, Slovenia. [Okuno, S.; Watanabe, Y.] Kanagawa Univ, Yokohama, Kanagawa 2218686, Japan. [Kuhr, T.; Roehrken, M.] Karlsruhe Inst Technol, Inst Expt Kernphys, D-76131 Karlsruhe, Germany. [Iwashita, T.] Univ Tokyo, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba 2778583, Japan. [Cho, K.; Kim, J. H.; Kim, Y. J.] Korea Inst Sci & Technol Informat, Taejon 305806, South Korea. [Kim, J. B.; Ko, B. R.; Lee, S. -H.; Won, E.] Korea Univ, Seoul 136713, South Korea. [Kim, M. J.; Park, H.; Park, H. K.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Schneider, O.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Golob, B.; Krizan, P.] Univ Ljubljana, Fac Math & Phys, Ljubljana 1000, Slovenia. [Bracko, M.; Korpar, S.] Univ Maribor, Maribor 2000, Slovenia. [Chobanova, V.; Dalseno, J.; Kiesling, C.; Gioi, L. Li; Moll, A.; Nedelkovska, E.; Ritter, M.; Simon, F.; Vanhoefer, P.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Sevior, M. E.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Danilov, M.; Drutskoy, A.; Mizuk, R.; Pakhlov, P.] Moscow Phys Engn Inst, Moscow 115409, Russia. [Uglov, T.] Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Moscow Region, Russia. [Iijima, T.; Seon, O.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648602, Japan. [Iijima, T.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648602, Japan. [Bhardwaj, V.; Hayashii, H.; Miyabayashi, K.] Nara Womens Univ, Nara 6308506, Japan. [Hou, W. -S.; Shiu, J. -G.; Wang, M. -Z.] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan. [Bozek, A.; Stypula, J.] H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. [Yamashita, Y.] Nippon Dent Univ, Niigata 9518580, Japan. [Kawasaki, T.; Miyata, H.] Niigata Univ, Niigata 9502181, Japan. [Stanic, S.] Univ Nova Gor, Nova Gorica 5000, Slovenia. [Nakano, E.; Teramoto, Y.] Osaka City Univ, Osaka 5588585, Japan. [Asner, D. M.; Bansal, V.; Fast, J. E.; Tatishvili, G.; Yamaoka, J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Bala, A.] Panjab Univ, Chandigarh 160014, India. [He, X. H.] Peking Univ, Beijing 100871, Peoples R China. [Kumar, R.] Punjab Agr Univ, Ludhiana 141004, Punjab, India. [Peng, T.; Zhang, Z. P.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Kim, D. Y.] Soongsil Univ, Seoul 156743, South Korea. [Choi, Y.] Sungkyunkwan Univ, Suwon 440746, South Korea. [Bakich, A. M.; Varvell, K. E.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Abdesselam, A.; Ayad, R.] Univ Tabuk, Fac Sci, Dept Phys, Tabuk 71451, Saudi Arabia. [Nisar, N. K.; Mohanty, G. B.; Aziz, T.; Gaur, V.; Sandilya, S.] Inst Fundamental Res, Mumbai 400005, Maharashtra, India. [Dalseno, J.; Moll, A.; Simon, F.] Tech Univ Munich, Excellence Cluster Universe, D-85748 Garching, Germany. [Ogawa, S.] Toho Univ, Funabashi, Chiba 2748510, Japan. [Hoshi, Y.] Tohoku Gakuin Univ, Tagajo, Miyagi 9858537, Japan. [Ishikawa, A.; Sanuki, T.; Sato, Y.] Tohoku Univ, Sendai, Miyagi 9808578, Japan. [Aihara, H.; Epifanov, D.] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. [Shibata, T. -A.; Uchida, M.] Tokyo Inst Technol, Tokyo 1528550, Japan. [Sumiyoshi, T.] Tokyo Metropolitan Univ, Tokyo 1920397, Japan. [Nitoh, O.] Tokyo Univ Agr & Technol, Tokyo 1848588, Japan. [Piilonen, L. E.; Williams, K. M.] Virginia Polytech Inst & State Univ, CNP, Blacksburg, VA 24061 USA. [Bonvicini, G.; Cinabro, D.; Farhat, H.; Ganguly, S.] Wayne State Univ, Detroit, MI 48202 USA. [Senyo, K.] Yamagata Univ, Yamagata 9908560, Japan. [Kang, J. H.; Kwon, Y. -J.; Sohn, Y. -S.; Yook, Y.] Yonsei Univ, Seoul 120749, South Korea. [Pedlar, T. K.] Luther Coll, Decorah, IA 52101 USA. [Wang, C. H.] Natl United Univ, Miaoli 36003, Taiwan. RP Nisar, NK (reprint author), Univ Basque Country, UPV EHU, Bilbao 48080, Spain. RI Drutskoy, Alexey/C-8833-2016; Ishikawa, Akimasa/G-6916-2012; Aihara, Hiroaki/F-3854-2010; Uglov, Timofey/B-2406-2014; Pakhlova, Galina/C-5378-2014; Pakhlov, Pavel/K-2158-2013; Cervenkov, Daniel/D-2884-2017; Solovieva, Elena/B-2449-2014; Danilov, Mikhail/C-5380-2014; Mizuk, Roman/B-3751-2014; Krokovny, Pavel/G-4421-2016; Chilikin, Kirill/B-4402-2014; EPFL, Physics/O-6514-2016 OI Trabelsi, Karim/0000-0001-6567-3036; Drutskoy, Alexey/0000-0003-4524-0422; Aihara, Hiroaki/0000-0002-1907-5964; Uglov, Timofey/0000-0002-4944-1830; Pakhlova, Galina/0000-0001-7518-3022; Pakhlov, Pavel/0000-0001-7426-4824; Cervenkov, Daniel/0000-0002-1865-741X; Solovieva, Elena/0000-0002-5735-4059; Danilov, Mikhail/0000-0001-9227-5164; Krokovny, Pavel/0000-0002-1236-4667; Chilikin, Kirill/0000-0001-7620-2053; FU MEXT (Japan); JSPS (Japan); Nagoya's TLPRC (Japan); ARC (Australia); DIISR (Australia); FWF (Austria); NSFC (China); MSMT (Czechia); CZF (Germany); DFG (Germany); VS (Germany); DST (India); INFN (Italy); MOE (Korea); MSIP (Korea); NRF (Korea); GSDC of KISTI (Korea); BK21Plus (Korea); WCU (Korea); MNiSW (Poland); NCN (Poland); MES (Russia); RFAAE (Russia); ARRS (Slovenia); IKERBASQUE (Spain); UPV/EHU (Spain); SNSF (Switzerland); NSC (Taiwan); MOE (Taiwan); DOE (U.S.); NSF (U.S.) FX We thank the KEKB group for excellent operation of the accelerator, the KEK cryogenics group for efficient solenoid operations, and the KEK computer group, the NII, and PNNL/EMSL for valuable computing and SINET4 network support. We acknowledge support from MEXT, JSPS and Nagoya's TLPRC (Japan); ARC and DIISR (Australia); FWF (Austria); NSFC (China); MSMT (Czechia); CZF, DFG, and VS (Germany); DST (India); INFN (Italy); MOE, MSIP, NRF, GSDC of KISTI, BK21Plus, and WCU (Korea); MNiSW and NCN (Poland); MES and RFAAE (Russia); ARRS (Slovenia); IKERBASQUE and UPV/EHU (Spain); SNSF (Switzerland); NSC and MOE (Taiwan); and DOE and NSF (U.S.). NR 30 TC 6 Z9 7 U1 1 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 29 PY 2014 VL 112 IS 21 AR 211601 DI 10.1103/PhysRevLett.112.211601 PG 6 WC Physics, Multidisciplinary SC Physics GA AI4NT UT WOS:000336842800005 ER PT J AU Sharma, K Mayes, RT Kiggans, JO Yiacoumi, S Bilheux, HZ Walker, LMH DePaoli, DW Dai, S Tsouris, C AF Sharma, Ketki Mayes, Richard T. Kiggans, Jim O., Jr. Yiacoumi, Sotira Bilheux, Hassina Z. Walker, Lakeisha M. H. DePaoli, David W. Dai, Sheng Tsouris, Costas TI Enhancement of electrosorption rates using low-amplitude, high-frequency, pulsed electrical potential SO SEPARATION AND PURIFICATION TECHNOLOGY LA English DT Article DE Capacitive deionization; Desalination; Electrosorption; Neutron imaging; Pulsed voltage ID COMPOSITE FILM ELECTRODES; MESOPOROUS CARBON MATERIALS; NEUTRON IMAGING TECHNIQUE; PEM FUEL-CELLS; CAPACITIVE DEIONIZATION; WATER DISTRIBUTION; AQUEOUS-SOLUTIONS; LIQUID WATER; LITHIUM CONCENTRATION; NANOTUBES AB The influence of low-amplitude, high-frequency, pulsed electrical potential on ion transport in mesoporous carbon electrodes has been investigated. Mesoporous carbon electrodes of approximately 10-nm average pore size were synthesized based on a soft-template method. The carbon electrodes were used in capacitive deionization experiments with salt solutions consisting of a mixture of ions of concentrations ranging from 5000 ppm to 10,000 ppm to investigate the effect of a pulsed potential on the ion removal rate. Higher rates of sorption and regeneration were observed when the pulsed potential was superimposed on a direct current (DC) offset of 1.2 V that is typically applied in capacitive deionization (CDI). The rate of ion sorption in CDI experiments was dependant on the amplitude and frequency of the pulsed potential. Conductivity measurements showed enhancement in transport rates due to the pulsed potential up to 130%. The effect was stronger during regeneration. Neutron imaging, a visualization technique, was also employed to quantify the diffusion of ions through mesoporous carbon electrodes under different conditions. Sequences of neutron images showed enhanced transport of gadolinium ions under the influence of pulsed potential. From the concentration histories of gadolinium ions inside the carbon electrodes, the effective diffusion coefficient of gadolinium ions was estimated at 8.3 +/- 0.4 x 10(-11) m(2)/s at 1.2 V DC and 1.1 x 10(-10) m(2)/s at 1.2 V DC with pulsed potential added. (C) 2014 Elsevier B.V. All rights reserved. C1 [Mayes, Richard T.; Kiggans, Jim O., Jr.; Bilheux, Hassina Z.; Walker, Lakeisha M. H.; DePaoli, David W.; Dai, Sheng; Tsouris, Costas] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Sharma, Ketki; Yiacoumi, Sotira; Tsouris, Costas] Georgia Inst Technol, Atlanta, GA 30332 USA. [Dai, Sheng] Univ Tennessee, Knoxville, TN 37996 USA. RP Tsouris, C (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM tsourisc@ornl.gov RI Bilheux, Hassina/H-4289-2012; Tsouris, Costas/C-2544-2016; Dai, Sheng/K-8411-2015; kiggans, james/E-1588-2017; OI Bilheux, Hassina/0000-0001-8574-2449; Tsouris, Costas/0000-0002-0522-1027; Dai, Sheng/0000-0002-8046-3931; kiggans, james/0000-0001-5056-665X; Mayes, Richard/0000-0002-7457-3261 FU U.S. DOE Office of Energy Efficiency and Renewable Energy (EERE) [DE-AC05-00960R22725]; Oak Ridge National Laboratory; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; National Science Foundation [CBET-0651683] FX This research was conducted at the Oak Ridge National Laboratory and supported by the U.S. DOE Office of Energy Efficiency and Renewable Energy (EERE), under Contract DE-AC05-00960R22725 with Oak Ridge National Laboratory, managed by UT-Battelle, LLC. A portion of this research at Oak Ridge National Laboratory's High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. Partial support to C. Tsouris, S. Yiacoumi and K. Sharma was provided by Campbell Applied Physics, Inc. and the National Science Foundation, under Grant No. CBET-0651683. The authors are thankful to Charles R. Schaich for his help with the neutron imaging cell; Hyacinth Igwe and Chidera Ozurumba for their help with CDI experiments; and Bob Campbell, Bill Bourcier, Tom Dorow, Sunita Kaushik, and Fred Seamon of Campbell Applied Physics, Inc., for frequent discussions on CDI. NR 41 TC 4 Z9 4 U1 5 U2 32 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1383-5866 EI 1873-3794 J9 SEP PURIF TECHNOL JI Sep. Purif. Technol. PD MAY 29 PY 2014 VL 129 BP 18 EP 24 DI 10.1016/j.seppur.2014.03.016 PG 7 WC Engineering, Chemical SC Engineering GA AJ4MO UT WOS:000337650700003 ER PT J AU Ma, YQ Qiu, JW Zhang, H AF Ma, Yan-Qing Qiu, Jian-Wei Zhang, Hong TI Heavy quarkonium fragmentation functions from a heavy quark pair. II. P wave SO PHYSICAL REVIEW D LA English DT Article ID HIGH-ENERGY COLLIDERS; ANNIHILATION; FACTORIZATION AB Recently, a new perturbative QCD factorization formalism for heavy quarkonium production at a large transverse momentum was proposed. The phenomenological application of this new approach relies on our knowledge of a large number of universal fragmentation functions (FFs) at an input factorization scale mu(0) greater than or similar to 2m(Q) with heavy quark mass m(Q), which are nonperturbative, and in principle, should be extracted from data. With heavy quark mass m(Q) >> Lambda(QCD), we calculate these input FFs in terms of nonrelativistic QCD (NRQCD) factorization. We derive contributions to these input FFs through all S-wave NRQCD Q (Q) over bar states in a companion paper [Y. -Q. Ma, J. -W. Qiu, and H. Zhang, arXiv:1311.7078 [Phys. Rev. D (to be published)]]. In this paper, we calculate the contributions to the heavy quark-pair FFs from all P-wave NRQCD Q (Q) over bar states. C1 [Ma, Yan-Qing; Qiu, Jian-Wei] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Qiu, Jian-Wei] SUNY Stony Brook, CN Yang Inst Theoret Phys, Stony Brook, NY 11794 USA. [Qiu, Jian-Wei; Zhang, Hong] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Ma, YQ (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM yqma@bnl.gov; jqiu@bnl.gov; hong.zhang@stonybrook.edu FU U.S. Department of Energy [DE-AC02-98CH10886]; National Science Foundation [PHY-0354776, PHY-0354822, PHY-0653342] FX We thank Zhong-Bo Kang and George Sterman for helpful discussions. We also thank D. Yang and X. Wang for lots of communications for cross-checking the results in the color singlet channel. This work was supported in part by the U.S. Department of Energy under Contract No. DE-AC02-98CH10886 and the National Science Foundation under Grants No. PHY-0354776, No. PHY-0354822, and No. PHY-0653342. NR 30 TC 14 Z9 14 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 29 PY 2014 VL 89 IS 9 AR 094030 DI 10.1103/PhysRevD.89.094030 PG 22 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AI4NI UT WOS:000336841700005 ER PT J AU Ma, YQ Qiu, JW Zhang, H AF Ma, Yan-Qing Qiu, Jian-Wei Zhang, Hong TI Heavy quarkonium fragmentation functions from a heavy quark pair. I. S wave SO PHYSICAL REVIEW D LA English DT Article ID HIGH-ENERGY COLLIDERS; GLUON FRAGMENTATION; DIMENSIONAL REGULARIZATION; QUANTUM CHROMODYNAMICS; FACTORIZATION; ANNIHILATION; MESONS; CHARM; DECAY AB A QCD factorization formalism was recently proposed for evaluating heavy quarkonium production at large p(T) at collider energies. With systematically calculated short-distance partonic hard parts and evolution kernels of fragmentation functions (FFs), the predictive power of this factorization approach relies on our knowledge of a large number of universal FFs at an input factorization scale mu(0) greater than or similar to 2m(Q) with heavy quark mass m(Q). With the large heavy quark mass, the relative motion of the heavy quark pair inside a heavy quarkonium is effectively nonrelativistic. We evaluate these universal input FFs using nonrelativistic QCD (NRQCD) factorization and express the large number of FFs in terms of a few universal NRQCD long-distance matrix elements with perturbatively calculated coefficients. We derive complete contributions to the single-parton FFs at both O(alpha(s)) and O(alpha(2)(s)) and the heavy quark-pair FFs at O(alpha(s)). We present detailed derivation for all contributions involving long-distance matrix elements of S-wave NRQCD Q (Q) over bar states (P-wave contributions in a companion paper, Y.-Q.Ma, J.-W.Qiu, and H.Zhang, arXiv:1401.0524 [Phys. Rev. D(to be published)]). Our results bridge the gap between the QCD factorization formalism and its phenomenological applications. C1 [Ma, Yan-Qing; Qiu, Jian-Wei] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Qiu, Jian-Wei] SUNY Stony Brook, CN Yang Inst Theoret Phys, Stony Brook, NY 11794 USA. [Qiu, Jian-Wei; Zhang, Hong] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Ma, YQ (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM yqma@bnl.gov; jqiu@bnl.gov; hong.zhang@stonybrook.edu FU U.S. Department of Energy [DE-AC02-98CH10886]; National Science Foundation [PHY-0354776, PHY-0354822, PHY-0653342] FX We thank Z.-B. Kang and G. Sterman for useful discussions and G. T. Bodwin and E. Braaten for helpful communications. We also thank D. Yang and X. Wang for lots of communications for cross-checking the results in the color singlet channel. This work was supported in part by the U.S. Department of Energy under Contract No. DE-AC02-98CH10886 and the National Science Foundation under Grants No. PHY-0354776, No. PHY-0354822, and No. PHY-0653342. NR 50 TC 25 Z9 25 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD MAY 29 PY 2014 VL 89 IS 9 AR 094029 DI 10.1103/PhysRevD.89.094029 PG 22 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AI4NI UT WOS:000336841700004 ER PT J AU Checco, A Ocko, BM Rahman, A Black, CT Tasinkevych, M Giacomello, A Dietrich, S AF Checco, Antonio Ocko, Benjamin M. Rahman, Atikur Black, Charles T. Tasinkevych, Mykola Giacomello, Alberto Dietrich, Siegfried TI Collapse and Reversibility of the Superhydrophobic State on Nanotextured Surfaces SO PHYSICAL REVIEW LETTERS LA English DT Article ID NANOSTRUCTURED SURFACES; TRANSITIONS; MORPHOLOGY; LIQUID; WATER AB Superhydrophobic coatings repel liquids by trapping air inside microscopic surface textures. However, the resulting composite interface is prone to collapse under external pressure. Nanometer-size textures should facilitate more resilient coatings owing to geometry and confinement effects at the nanoscale. Here, we use in situ x-ray diffraction to study the collapse of the superhydrophobic state in arrays of approximate to 20 nm-wide silicon textures with cylindrical, conical, and linear features defined by block-copolymer self-assembly and plasma etching. We reveal that the superhydrophobic state vanishes above critical pressures which depend on texture shape and size. This phenomenon is irreversible for all but the conical surface textures which exhibit a spontaneous, partial reappearance of the trapped gas phase upon liquid depressurization. This process is influenced by the kinetics of gas-liquid exchange. C1 [Checco, Antonio; Ocko, Benjamin M.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Rahman, Atikur; Black, Charles T.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Tasinkevych, Mykola; Giacomello, Alberto; Dietrich, Siegfried] Max Planck Inst Intelligente Syst, D-70569 Stuttgart, Germany. [Tasinkevych, Mykola; Dietrich, Siegfried] Univ Stuttgart, Inst Theoret Phys 4, D-70569 Stuttgart, Germany. [Giacomello, Alberto] Univ Roma La Sapienza, Dipartimento Ingn Meccan & Aerosp, I-00184 Rome, Italy. RP Checco, A (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM checco@bnl.gov RI Tasinkevych, Mykola/I-5134-2015; OI Tasinkevych, Mykola/0000-0001-6689-1844; GIACOMELLO, ALBERTO/0000-0003-2735-6982; Rahman, Atikur/0000-0002-1275-7129 FU U.S. Department of Energy, Basic Energy Sciences in the Materials Sciences and Engineering Division; U.S. Department of Energy, Basic Energy Sciences in the Materials Sciences and Engineering Division Center for Functional Nanomaterials [DE AC02 98CH10886]; European Union [PIRSES-GA-2010-269181] FX This research is supported by the U.S. Department of Energy, Basic Energy Sciences in the Materials Sciences and Engineering Division (A. C. and B. O.) and at the Center for Functional Nanomaterials (A. R. and C. B.) under Contract No. DE AC02 98CH10886. M. T. and S. D. acknowledge financial support from the European Union via 7th Framework International Program Research Staff Exchange Scheme Marie-Curie Grant No. PIRSES-GA-2010-269181. The authors thank Kevin Yager and Masafumi Fukuto for assistance with the x-ray measurements. NR 37 TC 38 Z9 41 U1 9 U2 75 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 29 PY 2014 VL 112 IS 21 AR 216101 DI 10.1103/PhysRevLett.112.216101 PG 5 WC Physics, Multidisciplinary SC Physics GA AI4NT UT WOS:000336842800016 ER PT J AU Lassila, JK Bernstein, SL Kinney, JN Axen, SD Kerfeld, CA AF Lassila, Jonathan K. Bernstein, Susan L. Kinney, James N. Axen, Seth D. Kerfeld, Cheryl A. TI Assembly of Robust Bacterial Microcompartment Shells Using Building Blocks from an Organelle of Unknown Function SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE compartmentalization; synthetic biology; metabolic engineering; self-assembly ID CARBOXYSOME SHELL; ESCHERICHIA-COLI; PROTEIN; ETHANOLAMINE; SALMONELLA; CO2; NEAPOLITANUS; TYPHIMURIUM; DEGRADATION; BIOGENESIS AB Bacterial microconnpartnnents (BMCs) sequester enzymes from the cytoplasmic environment by encapsulation inside a selectively permeable protein shell. Bioinformatic analyses indicate that many bacteria encode BMC clusters of unknown function and with diverse combinations of shell proteins. The genome of the halophilic myxobacterium Haliangium ochraceum encodes one of the most atypical sets of shell proteins in terms of composition and primary structure. We found that microconnpartnnent shells could be purified in high yield when all seven H. ochraceum BMC shell genes were expressed from a synthetic operon in Escherichia coll. These shells differ substantially from previously isolated shell systems in that they are considerably smaller and more homogeneous, with measured diameters of 39 2 nm. The size and nearly uniform geometry allowed the development of a structural model for the shells composed of 260 hexagonal units and 13 hexagons per icosahedral face. We found that new proteins could be recruited to the shells by fusion to a predicted targeting peptide sequence, setting the stage for the use of these remarkably homogeneous shells for applications such as three-dimensional scaffolding and the construction of synthetic BMCs. Our results demonstrate the value of selecting from the diversity of BMC shell building blocks found in genomic sequence data for the construction of novel compartments. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Lassila, Jonathan K.; Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Bernstein, Susan L.; Kinney, James N.; Axen, Seth D.; Kerfeld, Cheryl A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kerfeld, Cheryl A.] Berkeley Synthet Biol Inst, Berkeley, CA 94720 USA. [Kerfeld, Cheryl A.] Michigan State Univ, DOE Plant Res Lab, E Lansing, MI 48824 USA. RP Kerfeld, CA (reprint author), DOE Plant Res Lab, 612 Wilson Rd, E Lansing, MI 48864 USA. EM ckerfeld@lbl.gov FU Advanced Research Projects Agency, Energy [DE-0000200]; National Science Foundation [MCB0851094, MCB1160614] FX We thank the Electron Microscope Laboratory at the University of California Berkeley for assistance with TEM, as well as Clement Aussignargues and Sabine Heinhorst for helpful discussions. We thank Professor Manfred Rohde 'for the electron micrographs of H. ochraceum. We thank Markus Sutter for dynamic light scattering measurements. This work was supported by Advanced Research Projects Agency, Energy (DE-0000200) and the National Science Foundation (MCB0851094 and MCB1160614). NR 46 TC 22 Z9 23 U1 3 U2 19 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 EI 1089-8638 J9 J MOL BIOL JI J. Mol. Biol. PD MAY 29 PY 2014 VL 426 IS 11 BP 2217 EP 2228 DI 10.1016/j.jmb.2014.02.025 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AI2PA UT WOS:000336699300006 PM 24631000 ER PT J AU Ng, MY Nelson, J Taatjes, CA Osborn, DL Meloni, G AF Ng, Martin Y. Nelson, Jordan Taatjes, Craig A. Osborn, David L. Meloni, Giovanni TI Synchrotron Photoionization Study of Mesitylene Oxidation Initiated by Reaction with Cl(P-2) or O(P-3) Radicals SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID VOLATILE ORGANIC-COMPOUNDS; ABSOLUTE RATE CONSTANTS; SET MODEL CHEMISTRY; CROSS-SECTIONS; AROMATIC-HYDROCARBONS; GAS-PHASE; ATMOSPHERIC OXIDATION; POLYATOMIC-MOLECULES; OH RADICALS; P-XYLENE AB This work studies the oxidation of mesitylene (1,3,5-trimethylbenzene) initiated by O(P-3) or Cl(P-2) atoms. The O(P-3) initiated mesitylene oxidation was investigated at room temperature and 823 K, whereas the Cl-initiated reaction was carried out at room temperature only. Products were probed by a multiplexed chemical kinetics photoionization mass spectrometer using the synchrotron radiation produced at the Advanced Light Source (ALS) of Lawrence Berkeley National Laboratory. Reaction products and intermediates are identified on the basis of their time behavior, mass-to-charge ratio, ionization energies, and photoionization spectra. Branching yields are derived for the O-initiated reaction at 823 K and the Cl-initiated reaction at room temperature. Reaction schematics are proposed and presented. C1 [Ng, Martin Y.; Nelson, Jordan; Meloni, Giovanni] Univ San Francisco, Dept Chem, San Francisco, CA 94117 USA. [Taatjes, Craig A.; Osborn, David L.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Meloni, G (reprint author), Univ San Francisco, Dept Chem, San Francisco, CA 94117 USA. EM gmeloni@usfca.edu FU American Chemical Society, Petroleum Research Fund [51170 UNI6]; University of San Francisco via the Faculty Development Fund; Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy; National Nuclear Security Administration [DE-AC04-94-AL85000]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work is supported by American Chemical Society, Petroleum Research Fund Grant 51170 UNI6, and the University of San Francisco via the Faculty Development Fund. The participation of D.L.O. and C.A.T. and the development of the kinetics apparatus are funded by the Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy. The authors acknowledge the use of the chemistry computer cluster at the University of San Francisco supported by professors Claire Castro and William Karney. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000. 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 67 TC 5 Z9 5 U1 1 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD MAY 29 PY 2014 VL 118 IS 21 BP 3735 EP 3748 DI 10.1021/jp500260f PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AI3OR UT WOS:000336772300004 ER PT J AU Thomas, RD Ehlerding, A Geppert, WD Hellberg, F Zhaunerchyk, V Larsson, M Bahati, E Bannister, ME Fogle, MR Vane, CR AF Thomas, R. D. Ehlerding, A. Geppert, W. D. Hellberg, F. Zhaunerchyk, V. Larsson, M. Bahati, E. Bannister, M. E. Fogle, M. R. Vane, C. R. TI Dissociative recombination of LiH2+ SO PHYSICAL REVIEW A LA English DT Article ID POLYATOMIC IONS; LITHIUM; H-3(+); STATE AB In this paper, we report results regarding how LiH2+ fragments as a result of a low-energy collision with an electron (dissociative recombination), a reaction that contains only elements and particles created during the very first phase of the universe. The collision-energy-dependent reaction rate and cross sections show detailed structures, more so than predicted by theory, suggesting significant rovibrational coupling in the ion and a complex reaction surface. From the structure of the molecule, the reaction predominantly results in the formation of Li + H-2. However, 23% of the reaction flux leads to more interesting products, with 17% producing Li + 2H and 6% producing LiH + H. These last two channels break the strongest molecular bond in the system and, in the case of the latter channel, form a significantly weaker ionic bond. Possible reasons behind this interesting behavior are discussed, together with the interaction between the available reaction channels. C1 [Thomas, R. D.; Ehlerding, A.; Geppert, W. D.; Hellberg, F.; Zhaunerchyk, V.; Larsson, M.] Stockholm Univ, Albanova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden. [Bahati, E.; Bannister, M. E.; Fogle, M. R.; Vane, C. R.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Thomas, RD (reprint author), Stockholm Univ, Albanova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden. EM rdt@fysik.su.se RI Zhaunerchyk, Vitali/E-9751-2016; OI Bannister, Mark E./0000-0002-9572-8154 FU Swedish Research Council; US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences under UT-Battelle, LLC [DE-AC05-00OR22725] FX We would like to thank A. Kallberg and A. Simonsson at the Manne Siegbahn Laboratory for their tireless work and excellent support. We would also like to thank D. Haxton and C. Greene for providing us with their data, and D. Savin for useful discussions. R. D. T. was supported by the Swedish Research Council. The Oak Ridge collaboration is sponsored by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. NR 34 TC 0 Z9 0 U1 2 U2 14 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9926 EI 2469-9934 J9 PHYS REV A JI Phys. Rev. A PD MAY 29 PY 2014 VL 89 IS 5 AR 050701 DI 10.1103/PhysRevA.89.050701 PG 5 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA AI4MV UT WOS:000336840400001 ER PT J AU Lee, T Taylor, CD Lawson, AC Conradson, SD Chen, SP Caro, A Valone, SM Baskes, MI AF Lee, Tongsik Taylor, Christopher D. Lawson, A. C. Conradson, Steven D. Chen, Shao Ping Caro, A. Valone, Steven M. Baskes, Michael I. TI Atomistic modeling of thermodynamic properties of Pu-Ga alloys based on the Invar mechanism SO PHYSICAL REVIEW B LA English DT Article ID NEGATIVE THERMAL-EXPANSION; TEMPERATURE HEAT-CAPACITY; DELTA-PHASE PLUTONIUM; EMBEDDED-ATOM METHOD; ELEVATED-TEMPERATURES; CHEMICAL THERMODYNAMICS; ELECTRONIC-STRUCTURE; CASCADE SIMULATIONS; MOLECULAR-DYNAMICS; ELASTIC-CONSTANTS AB We present an atomistic model that accounts for a range of anomalous thermodynamic properties of the fcc delta phase of Pu-Ga alloys in terms of the Invar mechanism. Two modified embedded atom method potentials are employed to represent competing electronic states in delta-Pu, each of which has an individual configuration dependence as well as distinct interactions with gallium. Using classical Monte Carlo simulations, we compute the temperature dependence of various thermodynamic properties for different dilute gallium concentrations. The model reproduces the observed effects of excessive volume reduction along with a rapid shift in thermal expansion from negative to positive values with increasing gallium concentration. It also predicts progressive stiffening upon dilute-gallium alloying, while the calculated thermal softening is nearly independent of the gallium concentration in agreement with resonant ultrasound spectroscopy measurements in the literature. Analysis of the local structure predicted by the model indicates that the distribution of the gallium atoms is not completely random in the delta phase due to the presence of short-range order associated with the Invar mechanism. This effect is consistent with the nanoscale heterogeneity in local gallium concentration which is observed in recent extended x-ray absorption fine structure spectroscopy experiments. Implications of the Invar effect for phase stability and physical interpretations of the two states are also discussed. C1 [Lee, Tongsik; Taylor, Christopher D.; Lawson, A. C.; Conradson, Steven D.; Chen, Shao Ping; Caro, A.; Valone, Steven M.; Baskes, Michael I.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Baskes, Michael I.] Mississippi State Univ, Dept Aerosp Engn, Mississippi State, MS 39762 USA. [Baskes, Michael I.] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. [Baskes, Michael I.] Univ N Texas, Dept Mat Sci & Engn, Denton, TX 76207 USA. RP Lee, T (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. EM tongsikl@mit.edu OI Taylor, Christopher/0000-0002-0252-0988 FU National Nuclear Security Administration of the US DOE under Los Alamos National Security, LLC [DE-AC52-06NA25396]; LANL ASC program; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US DOE, under the Heavy Element Chemistry Program at LANL FX The authors are grateful to Jim Doll, Jim Gubernatis, Albert Migliori, Babak Sadigh, Paul Tobash, Ilya Vekhter, Art Voter, and Jianxin Zhu for useful discussions. This work is performed through the LANL LDRD program under the auspices of Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US DOE under Contract No. DE-AC52-06NA25396. S. P. C. acknowledges the support of the LANL ASC program. S. D. C. acknowledges the support of the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US DOE, under the Heavy Element Chemistry Program at LANL. NR 89 TC 0 Z9 0 U1 4 U2 43 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 29 PY 2014 VL 89 IS 17 AR 174114 DI 10.1103/PhysRevB.89.174114 PG 15 WC Physics, Condensed Matter SC Physics GA AI4MW UT WOS:000336840500001 ER PT J AU Zhang, BM Sun, CJ Yang, P Lu, WL Fisher, BL Venkatesan, T Heald, SM Chen, JS Chow, GM AF Zhang, Bangmin Sun, Cheng-Jun Yang, Ping Lu, Wenlai Fisher, Brandon L. Venkatesan, T. Heald, Steve M. Chen, Jing-Sheng Chow, Gan Moog TI Strain modulated anisotropic electronic charge transfer in perovskite Pr0.67Sr0.33MnO3 thin films SO PHYSICAL REVIEW B LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; METAL-INSULATOR TRANSITIONS; MANGANITES; MAGNETORESISTANCE AB Strain-modulated anisotropic electronic charge transfers in perovskite Pr0.67Sr0.33MnO3 thin films were investigated using polarization dependent x-ray absorption near-edge structure at the Mn K absorption edge and half-integer diffraction. The strain from the lattice mismatch between the film and the substrate affects the MnO6 octahedron tilt pattern in thin films, which modifies the Mn-O bond length and bond angles, and charge transfer properties. The probability of charge transfer from O to Mn is anisotropic along the in-plane and out-of-plane directions, which is enhanced in the direction with compressive strain due to a larger overlap of Mn 3d and O 2p orbitals as a result of a shorter Mn-O bond length. These results were further verified using the ab initio FEFF calculations and Curie temperature calculation. C1 [Zhang, Bangmin; Sun, Cheng-Jun; Heald, Steve M.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Zhang, Bangmin; Lu, Wenlai; Chen, Jing-Sheng; Chow, Gan Moog] Natl Univ Singapore, Dept Mat Sci Engn, Singapore 117576, Singapore. [Zhang, Bangmin; Venkatesan, T.] Natl Univ Singapore, NUSNNI Nanocore, Singapore 117411, Singapore. [Yang, Ping] Natl Univ Singapore, Singapore Synchrotron Light Source, Singapore 117603, Singapore. [Fisher, Brandon L.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Venkatesan, T.] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore. [Venkatesan, T.] Natl Univ Singapore, Dept Elect Comp Engn, Singapore 117576, Singapore. RP Sun, CJ (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM cjsun@aps.anl.gov; msecgm@nus.edu.sg RI Lu, Wenlai/F-2869-2015; Yang, Ping/C-5612-2008 FU US Department of Energy - Basic Energy Sciences, the Canadian Light Source; University of Washington; Advanced Photon Source; US DOE [DE-AC02-06CH11357]; Singapore National Research Foundation under CRP [NRF-CRP10-2012-02]; SSLS via National University of Singapore Core Support [C-380-003-003-001] FX PNC/XSD facilities at the Advanced Photon Source, and research at these facilities, are supported by the US Department of Energy - Basic Energy Sciences, the Canadian Light Source and its funding partners, the University of Washington, and the Advanced Photon Source. Use of the APS and Center for Nanoscale Materials, an Office of Science User Facility operated for the US DOE Office of Science by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH11357. The research was supported by the Singapore National Research Foundation under CRP Award No. NRF-CRP10-2012-02. P.Y. is supported from SSLS via National University of Singapore Core Support C-380-003-003-001. G. M. C. also thanks the PNC/XSD facilities for his sabbatical support. NR 37 TC 7 Z9 7 U1 3 U2 36 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 29 PY 2014 VL 89 IS 19 AR 195140 DI 10.1103/PhysRevB.89.195140 PG 9 WC Physics, Condensed Matter SC Physics GA AI4NB UT WOS:000336841000002 ER PT J AU Chen, M Esarey, E Geddes, CGR Cormier-Michel, E Schroeder, CB Bulanov, SS Benedetti, C Yu, LL Rykovanov, S Bruhwiler, DL Leemans, WP AF Chen, M. Esarey, E. Geddes, C. G. R. Cormier-Michel, E. Schroeder, C. B. Bulanov, S. S. Benedetti, C. Yu, L. L. Rykovanov, S. Bruhwiler, D. L. Leemans, W. P. TI Electron injection and emittance control by transverse colliding pulses in a laser-plasma accelerator SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article ID BEAMS; WAKEFIELD; CODE AB A method to inject electron beams with controllable transverse emittances in a laser-plasma accelerators is proposed and analyzed. It uses two colliding laser pulses that propagate transversely to the plasma wave. For colliding pulses with equal frequencies, a beam with very low emittance is generated when the collision is close to the density peak of the plasma wave. Electrons near the axis are accelerated longitudinally by the ponderomotive force of the colliding pulses, accelerated transversely by the beat wave, and subsequently injected into the second bucket of the wake. Ionization is used to increase the transverse injection area and the final trapped charge. Simulations show that the transverse emittance can be less than the 0.1 mm mrad level, which is important for many applications. For colliding laser pulses with different frequencies, the beat wave can produce asymmetric injection, which can enhance betatron radiation generated by the electron beam. C1 [Chen, M.; Esarey, E.; Geddes, C. G. R.; Schroeder, C. B.; Benedetti, C.; Yu, L. L.; Rykovanov, S.; Leemans, W. P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Chen, M.; Yu, L. L.] Shanghai Jiao Tong Univ, Key Lab Laser Plasmas, Minist Educ, Shanghai 200240, Peoples R China. [Chen, M.; Yu, L. L.] Shanghai Jiao Tong Univ, Dept Phys & Astron, Shanghai 200240, Peoples R China. [Cormier-Michel, E.; Bruhwiler, D. L.] Tech X Corp, Boulder, CO 80303 USA. [Bulanov, S. S.; Leemans, W. P.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Chen, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM minchen@sjtu.edu.cn; EHEsarey@lbl.gov RI Chen, Min/A-9955-2010; Yu, Lule/P-2566-2015; OI Chen, Min/0000-0002-4290-9330; Schroeder, Carl/0000-0002-9610-0166 FU U.S. Department of Energy, Office of National Nuclear Security Administration [NA-22]; Office of Science, Office of High Energy Physics [DE-AC02-05CH11231]; ComPASS SciDAC project [DE-FC02-07ER41499]; National Science Foundation [PHY-0935197]; National Science Foundation of China [11205101, 1374209]; Shanghai Science and Technology Commission [13PJ1403600] FX This work was supported by the U.S. Department of Energy, Office of National Nuclear Security Administration, NA-22; Office of Science, Office of High Energy Physics under Contract No. DE-AC02-05CH11231; ComPASS SciDAC project, Grant No. DE-FC02-07ER41499; and National Science Foundation Grant No. PHY-0935197. M. C. was also supported by the National Science Foundation of China (Grants No. 11205101 and No. 11374209) and Shanghai Science and Technology Commission (Grant No. 13PJ1403600). This work used resources of the National Energy Research Scientific Computing Center. NR 38 TC 6 Z9 6 U1 1 U2 40 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 MAY 29 PY 2014 VL 17 IS 5 AR 051303 DI 10.1103/PhysRevSTAB.17.051303 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AI4NU UT WOS:000336842900001 ER PT J AU Shuster, J Bolin, T MacLean, LCW Southam, G AF Shuster, Jeremiah Bolin, Trudy MacLean, Lachlan C. W. Southam, Gordon TI The effect of iron-oxidising bacteria on the stability of gold (I) thiosulphate complex SO CHEMICAL GEOLOGY LA English DT Article DE Gold (I) thiosulphate; Gold sulphide; Colloidal gold; Biogeochemistry; Iron-oxidising bacteria ID MASSIVE SULFIDE DEPOSITS; IBERIAN PYRITE BELT; RIO-TINTO; FILAMENTOUS CYANOBACTERIA; MINE DRAINAGE; MINERALOGY; OXIDATION; ENVIRONMENT; RIVER; NANOPARTICLES AB An acidophilic, iron-oxidising bacterial consortium was collected from Rio Tinto near Berrocal, Spain. This primary enriched culture was used to examine the effect of acidophilic iron-oxidising bacteria on the stability of soluble gold (I) thiosulphate. Stationary phase cultures and separate components of the cultures (i.e., aqueous ferric iron, iron oxyhydroxide precipitates and non-mineralised bacterial cells) were exposed to gold (I) thiosulphate solutions forming different experimental-gold systems. These experimental systems rapidly removed gold from solutions containing 0.002 mM-20 mM gold thiosulphate. Scanning and transmission electron microscopy demonstrated that the different culture fractions immobilised gold differently: the entire bacterial culture-gold systems precipitated 100 nm-size gold colloids; aqueous ferric iron-gold systems precipitated colloidal gold sulphide that ranged in diameter from 200 nm to 2 mu m; iron oxyhydroxide-gold systems precipitated 5 nm-size gold sulphide colloids; and the bacteria-gold systems precipitated gold colloids similar to 2 nm in size along the bacterial cell envelope. Aqueous and solid ferric iron was critical in the destabilisation of the gold (I) thiosulphate complex. Analysis of the entire bacterial culture-, aqueous ferric iron- and iron oxyhydroxide-gold systems exposed to 2 mM gold using X-ray absorption near edge spectroscopy demonstrated that Au+ was immobilised from solution as gold sulphide (Au2S). The reaction between iron- oxidising bacteria and their ferric iron by-products with gold (I) thiosulphate demonstrated that thiosulphate ions would be an unstable gold complexing ligand in nature. Gold (I) thiosulphate is intuitively transformed into nanometer-scale gold sulphide or elemental gold within natural, acidic weathering environments with the potential to precipitate gold in jarosite that can subsequently be preserved in gossans over geological time. (C) 2014 Elsevier B.V. All rights reserved. C1 [Shuster, Jeremiah; Southam, Gordon] Univ Queensland, Sch Earth Sci, St Lucia, Qld 4072, Australia. [Bolin, Trudy] Argonne Lab, Adv Photon Source, CMC XOR Sect 9, Argonne, IL 60439 USA. [MacLean, Lachlan C. W.] SRK Consulting, Saskatoon, SK S7L 6M6, Canada. RP Shuster, J (reprint author), Steele Bldg,Staff House Rd, St Lucia, Qld 4072, Australia. EM j.shuster@uq.edu.au RI Southam, Gordon/D-1983-2013; OI Southam, Gordon/0000-0002-8941-1249; Shuster, Jeremiah/0000-0002-9839-6618 FU Natural Sciences and Engineering Research Council of Canada (NSERC) Discovery Grant; US Department of Energy, Basic Energy Sciences; NSERC; Advanced Photon Source FX We thank C. Wu for ICP-AES analysis at the Geoanalysis Laboratory, Western University and A. Smith for assisting with laboratory experiments. SEM and TEM analyses were performed at the Nanofabrication Laboratory and the Biotron: Integrated Imaging Facility, respectively, at Western University. Funding was provided through a Natural Sciences and Engineering Research Council of Canada (NSERC) Discovery Grant awarded to Gordon Southam. Experiments performed at the 9BM CMC-XOR-Sector 9, Advanced Photon Source, Argonne National Laboratory was supported by the US Department of Energy, Basic Energy Sciences, a major facilities access grant from the NSERC and the Advanced Photon Source. NR 86 TC 4 Z9 4 U1 5 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2541 EI 1878-5999 J9 CHEM GEOL JI Chem. Geol. PD MAY 29 PY 2014 VL 376 BP 52 EP 60 DI 10.1016/j.chemgeo.2014.03.017 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AG9XF UT WOS:000335772600006 ER PT J AU Pardini, T Boutet, S Bradley, J Doppner, T Fletcher, LB Gardner, DF Hill, RM Hunter, MS Krzywinski, J Messerschmidt, M Pak, AE Quirin, F Sokolowski-Tinten, K Williams, GJ Hau-Riege, SP AF Pardini, Tom Boutet, Sebastien Bradley, Joseph Doeppner, Tilo Fletcher, Luke B. Gardner, Dennis F. Hill, Randy M. Hunter, Mark S. Krzywinski, Jacek Messerschmidt, Marc Pak, Arthur E. Quirin, Florian Sokolowski-Tinten, Klaus Williams, Garth J. Hau-Riege, Stefan P. TI Silicon Mirrors for High-Intensity X-Ray Pump and Probe Experiments SO PHYSICAL REVIEW APPLIED LA English DT Article ID FREE-ELECTRON LASER; BEAM AB An all-x-ray pump and probe capability is highly desired for the free-electron laser community. A possible implementation involves the use of an x-ray mirror downstream of the sample to backreflect the pump beam onto itself. We expose silicon single crystals, a candidate for this hard-x-ray mirror, to the hard-x-ray beam of the Linac Coherent Light Source (SLAC National Acceleration Laboratory) to assess its suitability. We find that silicon is an appropriate mirror material, but its reflectivity at high x-ray fluences is somewhat unpredictable. We attribute this behavior to x-ray-induced local damage in the mirror, which we have characterized post mortem via microdiffraction, scanning electron microscopy, and Raman spectroscopy. We demonstrate a strategy to reduce local damage by using a structured silicon-based mirror. Preliminary results suggest that the latter yields reproducible Bragg reflectivity at high x-ray fluences, promising a path forward for silicon single crystals as x-ray backreflectors. C1 [Pardini, Tom; Bradley, Joseph; Doeppner, Tilo; Hill, Randy M.; Hunter, Mark S.; Pak, Arthur E.; Hau-Riege, Stefan P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Boutet, Sebastien; Krzywinski, Jacek; Messerschmidt, Marc; Williams, Garth J.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Fletcher, Luke B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Gardner, Dennis F.] Univ Colorado, JILA, Boulder, CO 80309 USA. [Quirin, Florian; Sokolowski-Tinten, Klaus] Fac Phys, D-47048 Duisburg, Germany. [Quirin, Florian; Sokolowski-Tinten, Klaus] Ctr Nanointegrat Duisburg Essen CENIDE, D-47048 Duisburg, Germany. RP Pardini, T (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM pardini2@llnl.gov RI Messerschmidt, Marc/F-3796-2010; Sokolowski-Tinten, Klaus/A-5415-2015 OI Messerschmidt, Marc/0000-0002-8641-3302; FU German Research Council (DFG) through the Collaborative Research Centre [SFB 616]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX T. P. thanks Todd Decker and Jennifer Alameda for their help with XRMD. We thank Ilme Schlichting for experimental support. F. Q. and K. S. T. acknowledge support by the German Research Council (DFG) through the Collaborative Research Centre SFB 616 "Energy Dissipation at Surfaces." Portions of this research were carried out at the Linac Coherent Light Source (LCLS) at the SLAC National Accelerator Laboratory. LCLS is an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Stanford University. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. Document Release No. LLNL-JRNL649072. NR 20 TC 2 Z9 2 U1 4 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2331-7019 J9 PHYS REV APPL JI Phys. Rev. Appl. PD MAY 28 PY 2014 VL 1 IS 4 AR 044007 DI 10.1103/PhysRevApplied.1.044007 PG 5 WC Physics, Applied SC Physics GA AS5RF UT WOS:000344326700003 ER PT J AU Chylek, P Hengartner, N Lesins, G Klett, JD Humlum, O Wyatt, M Dubey, MK AF Chylek, Petr Hengartner, Nicholas Lesins, Glen Klett, James D. Humlum, Ole Wyatt, Marcia Dubey, Manvendra K. TI Isolating the anthropogenic component of Arctic warming SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE Arctic warming; anthropogenic; climate change ID ATLANTIC MULTIDECADAL OSCILLATION; CLIMATE-CHANGE; NORTHERN-HEMISPHERE; GLOBAL CLIMATE; SEA-ICE; VARIABILITY; AMPLIFICATION; TEMPERATURE; 20TH-CENTURY; MECHANISM AB Structural equation modeling is used in statistical applications as both confirmatory and exploratory modeling to test models and to suggest the most plausible explanation for a relationship between the independent and the dependent variables. Although structural analysis cannot prove causation, it can suggest the most plausible set of factors that influence the observed variable. We apply structural model analysis to the annual mean Arctic surface air temperature from 1900 to 2012 to find the most effective set of predictors and to isolate the anthropogenic component of the recent Arctic warming by subtracting the effects of natural forcing and variability from the observed temperature. We find that anthropogenic greenhouse gases and aerosols radiative forcing and the Atlantic Multidecadal Oscillation internal mode dominate Arctic temperature variability. Our structural model analysis of observational data suggests that about half of the recent Arctic warming of 0.64K/decade may have anthropogenic causes. C1 [Chylek, Petr; Hengartner, Nicholas; Dubey, Manvendra K.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Lesins, Glen] Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS, Canada. [Klett, James D.] Par Associates, Las Cruces, NM USA. [Humlum, Ole] Univ Oslo, Oslo, Norway. [Humlum, Ole] Univ Ctr Svalbard, Oslo, Norway. [Wyatt, Marcia] Univ Colorado, Dept Geol Sci, Boulder, CO 80309 USA. RP Chylek, P (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87544 USA. EM chylek@lanl.gov RI Dubey, Manvendra/E-3949-2010 OI Dubey, Manvendra/0000-0002-3492-790X FU Los Alamos National Laboratory Institute of Geophysics, Planetary Physics, and Signatures [LA-UR-14-22377] FX Reported research (LA-UR-14-22377) was supported in part by the Los Alamos National Laboratory Institute of Geophysics, Planetary Physics, and Signatures. The authors thank Chris Folland and G. L. van Oldenborg for providing updated AMO indices and two anonymous reviewers and the Editor for helping us improve the original manuscript. NR 55 TC 8 Z9 8 U1 8 U2 36 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD MAY 28 PY 2014 VL 41 IS 10 BP 3569 EP 3576 DI 10.1002/2014GL060184 PG 8 WC Geosciences, Multidisciplinary SC Geology GA AJ4AC UT WOS:000337610200034 ER PT J AU Balaguru, K Taraphdar, S Leung, LR Foltz, GR AF Balaguru, Karthik Taraphdar, Sourav Leung, L. Ruby Foltz, Gregory R. TI Increase in the intensity of postmonsoon Bay of Bengal tropical cyclones SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE tropical cyclones; Bay of Bengal; postmonsoon; ocean heat content; moist static energy ID SEA-SURFACE TEMPERATURE; NORTHERN INDIAN-OCEAN; DATA ASSIMILATION; VARIABILITY; FREQUENCY; CLIMATE; DIPOLE; SST AB The postmonsoon (October-November) tropical cyclone (TC) season in the Bay of Bengal (BoB) has spawned many of the deadliest storms in recorded history. Here it is shown that the intensity of major TCs (wind speed > 49m s-1) in the postmonsoon BoB increased during 1981-2010. It is found that changes in environmental parameters are responsible for the observed increases in TC intensity. Increases in sea surface temperature and upper ocean heat content made the ocean more conducive to TC intensification, while enhanced convective instability made the atmosphere more favorable for the growth of TCs. The largest changes in the atmosphere and ocean occurred in the eastern BoB, where nearly all major TCs form. These changes are part of positive linear trends, suggesting that the intensity of postmonsoon BoB TCs may continue to increase in the future. C1 [Balaguru, Karthik; Taraphdar, Sourav; Leung, L. Ruby] Pacific NW Natl Lab, Richland, WA 99352 USA. [Foltz, Gregory R.] NOAA, Atlantic Oceanog & Meteorol Lab, Phys Oceanog Div, Miami, FL 33149 USA. RP Balaguru, K (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Karthik.Balaguru@pnnl.gov RI Foltz, Gregory/B-8710-2011 OI Foltz, Gregory/0000-0003-0050-042X FU Office of Science of the U.S. Department of Energy as part of the Regional and Global Climate Modeling program; DOE by Battelle Memorial Institute [DE-AC05-76RL01830] FX This research was supported by the Office of Science of the U.S. Department of Energy 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 34 TC 7 Z9 7 U1 3 U2 13 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD MAY 28 PY 2014 VL 41 IS 10 BP 3594 EP 3601 DI 10.1002/2014GL060197 PG 8 WC Geosciences, Multidisciplinary SC Geology GA AJ4AC UT WOS:000337610200037 ER PT J AU Boyle, TJ Sivonxay, E Yang, P Rodriguez, MA Hernandez-Sanchez, BA Bell, NS Velazquez, A Kaehr, B Bencomo, M Griego, JJM Doty, P AF Boyle, Timothy J. Sivonxay, Eric Yang, Pin Rodriguez, Mark A. Hernandez-Sanchez, Bernadette A. Bell, Nelson S. Velazquez, Andrew Kaehr, Bryan Bencomo, Marlene Griego, James J. M. Doty, Patrick TI Hydrothermal synthesis and characterization of the eulytite phase of bismuth germanium oxide powders SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; OPTICAL-PROPERTIES; SINGLE-CRYSTALS; BI4GE3O12; SPECIATION; DETECTORS; COMPLEXES; CERAMICS; GROWTH; FLUIDS AB A simple hydrothermal route to the eulytite phase of bismuth germanium oxide (E-BGO: Bi-4(GeO4)(3)) that required no post-processing has been developed. The E-BGO material was isolated from a mixture of bismuth nitrate pentahydrate and a slight excess of germanium oxide in water under hydrothermal conditions (185 degrees C for 24 h). The resultant materials were characterized by powder x-ray diffraction, scanning electron microscopy, transmission electron microscopy, and luminescence measurements to verify the particle's phase (eulytite), morphology, size, and response to a variety of excitation energy sources, respectively. Photoluminescence spectroscopic response from E-BGO pellets indicated that the samples exhibited a strong emission peak consistent with an x-ray induced luminescence of a E-BGO single crystal (500 nm excited at 285 nm). Cathodoluminescent properties of the E-BGO displayed a broadband spectrum with a maximum at 487 nm. The growth process was consistent with a standard Oswald ripening and LaMer growth processes. C1 [Boyle, Timothy J.; Sivonxay, Eric; Hernandez-Sanchez, Bernadette A.; Bell, Nelson S.; Velazquez, Andrew; Kaehr, Bryan] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. [Yang, Pin; Rodriguez, Mark A.; Bencomo, Marlene; Griego, James J. M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Doty, Patrick] Sandia Natl Labs, Livermore, CA 94551 USA. RP Boyle, TJ (reprint author), Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. EM tjboyle@Sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank S. Bingham and C. Mcglinchey for technical assistance and the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories for support of this 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. NR 29 TC 0 Z9 0 U1 1 U2 15 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 MAY 28 PY 2014 VL 29 IS 10 BP 1199 EP 1209 DI 10.1557/jmr.2014.97 PG 11 WC Materials Science, Multidisciplinary SC Materials Science GA AJ5PF UT WOS:000337736500009 ER PT J AU Deng, HX Zu, XT Zheng, WG Yuan, XD Xiang, X Sun, K Gao, F AF Deng, H. X. Zu, X. T. Zheng, W. G. Yuan, X. D. Xiang, X. Sun, K. Gao, F. TI Theory of suppressing avalanche process of carrier in short pulse laser irradiated dielectrics SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FEMTOSECOND LASER; TRANSPARENT MATERIALS; FUSED-SILICA; NANOSECOND; IONIZATION; BREAKDOWN; DAMAGE AB A theory for controlling avalanche process of carrier during short pulse laser irradiation is proposed. We show that avalanche process of conduction band electrons (CBEs) is determined by the occupation number of phonons in dielectrics. The theory provides a way to suppress avalanche process and a direct judgment for the contribution of avalanche process and photon ionization process to the generation of CBEs. The obtained temperature dependent rate equation shows that the laser induced damage threshold of dielectrics, e. g., fused silica, increase nonlinearly with the decreases of temperature. Present theory predicts a new approach to improve the laser induced damage threshold of dielectrics. (C) 2014 AIP Publishing LLC. C1 [Deng, H. X.; Zu, X. T.; Xiang, X.] Univ Elect Sci & Technol China, Sch Phys Elect, Chengdu 610054, Peoples R China. [Zheng, W. G.; Yuan, X. D.] China Acad Engn Phys, Res Ctr Laser Fus, Mianyang 621900, Peoples R China. [Sun, K.] Univ Michigan, Dept Mat Engn & Sci, Ann Arbor, MI 48109 USA. [Gao, F.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Deng, HX (reprint author), Univ Elect Sci & Technol China, Sch Phys Elect, Chengdu 610054, Peoples R China. EM hxdeng@uestc.edu.cn; xtzu@uestc.edu.cn; kaisun@umich.edu FU Fundamental Research Funds for the Central Universities [A03007023901019]; National Natural Science Foundation of China [61178018]; Education Ministry of China [20110185110007]; National Nuclear Security Administration, Office of Nuclear Nonproliferation Research and Engineering (NA-22), of the U.S. Department of Energy (DOE) FX This work was supported financially by the Fundamental Research Funds for the Central Universities (Grant Nos. A03007023901019), the National Natural Science Foundation of China (61178018), the Ph.D. Funding Support Program of Education Ministry of China (20110185110007), and the National Nuclear Security Administration, Office of Nuclear Nonproliferation Research and Engineering (NA-22), of the U.S. Department of Energy (DOE). NR 24 TC 2 Z9 2 U1 5 U2 35 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 28 PY 2014 VL 115 IS 20 AR 203112 DI 10.1063/1.4880340 PG 5 WC Physics, Applied SC Physics GA AI8FG UT WOS:000337143500012 ER PT J AU Fensin, SJ Escobedo, JP Gray, GT Patterson, BM Trujillo, CP Cerreta, EK AF Fensin, S. J. Escobedo, J. P. Gray, G. T., III Patterson, B. M. Trujillo, C. P. Cerreta, E. K. TI Dynamic damage nucleation and evolution in multiphase materials SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FRACTURE; SPALL; BEHAVIOR; FAILURE; COPPER; SOLIDS AB For ductile metals, dynamic fracture occurs through void nucleation, growth, and coalescence. Previous experimental works in high purity metals have shown that microstructural features such as grain boundaries, inclusions, vacancies, and heterogeneities can act as initial void nucleation sites. However, for materials of engineering significance, those with, second phase particles it is less clear what the role of a soft second phase will be on damage nucleation and evolution. To approach this problem in a systematic manner, two materials have been investigated: high purity copper and copper with 1% lead. These materials have been shock loaded at similar to 1.5 GPa and soft recovered. In-situ free surface velocity information and post mortem metallography reveals the presence of a high number of small voids in CuPb in comparison to a lower number of large voids in Cu. This suggests that damage evolution is nucleation dominated in the CuPb and growth dominated in the pure Cu. (C) 2014 AIP Publishing LLC. C1 [Fensin, S. J.; Gray, G. T., III; Trujillo, C. P.; Cerreta, E. K.] Los Alamos Natl Lab, MST 8, Los Alamos, NM 87544 USA. [Escobedo, J. P.] UNSW Australia, Canberra, ACT 2612, Australia. [Patterson, B. M.] Los Alamos Natl Lab, MST 7, Los Alamos, NM 87544 USA. RP Fensin, SJ (reprint author), Los Alamos Natl Lab, MST 8, POB 1663, Los Alamos, NM 87544 USA. EM saryuj@lanl.gov OI Escobedo-Diaz, Juan/0000-0003-2413-7119; Patterson, Brian/0000-0001-9244-7376 FU U.S Department of Energy [DE-AC52-06NA25396]; DOD/DOE Joint Munitions program FX Los Alamos National Laboratory is operated by LANS, LLC, for the NNSA and the U.S Department of Energy under contract DE-AC52-06NA25396. Funding was provided by DOD/DOE Joint Munitions program. NR 22 TC 2 Z9 2 U1 3 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 28 PY 2014 VL 115 IS 20 AR 203516 DI 10.1063/1.4880435 PG 7 WC Physics, Applied SC Physics GA AI8FG UT WOS:000337143500032 ER PT J AU T-Thienprasert, J Watcharatharapong, T Fongkaew, I Du, MH Singh, DJ Limpijumnong, S AF T-Thienprasert, J. Watcharatharapong, T. Fongkaew, I. Du, M. H. Singh, D. J. Limpijumnong, S. TI Identification of oxygen defects in CdTe revisited: First-principles study SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MINIMUM ENERGY PATHS; ELASTIC BAND METHOD; ULTRASOFT PSEUDOPOTENTIALS; SADDLE-POINTS; SOLAR-CELLS; CDS/CDTE; SILICON; EFFICIENCY AB By using first-principles calculations, several SO2 complexes in CdTe were studied. Based on experimental observation, SO2 complexes have been recently proposed by Lavrov et al. [Phys. Rev. B. 84, 233201 (2011)] to be the cause of the observed IR absorption peaks at 1096.8 and 1108.4 cm(-1) in O-doped CdTe. Chen et al. [Phys. Rev. Lett. 96, 035508 (2006)] were originally proposed that the peaks come from O-Te-V-Cd complex. Our calculations indicate that the SO2 molecule on the Te site [(SO2)(Te)] has a low formation energy but its calculated vibration frequencies (similar to 900 cm(-1)) are lower than the observed IR modes. However, (SO2) Te can form a complex with V-Cd with two possible configurations that give the vibration frequencies in a good agreement with the two observed IR peaks. The binding energies of the complex in these two configurations are about 1 eV under p-type conditions; indicating that the complex is quite stable. The two configurations are related to each other by a rotation of the SO2 molecule with an energy barrier of similar to 0.4 eV. Therefore, the two configurations can co-exist at a low temperature and the high energy one gradually transforms to the low energy one as temperature increases. This agrees with the experimental observation that, at a high temperature, the two IR modes merged into one. (C) 2014 AIP Publishing LLC. C1 [T-Thienprasert, J.; Watcharatharapong, T.] Kasetsart Univ, Fac Sci, Dept Phys, Bangkok 10900, Thailand. [T-Thienprasert, J.; Fongkaew, I.] ThEP Ctr, Thailand Ctr Excellence Phys, Commiss Higher Educ, Bangkok 10400, Thailand. [Fongkaew, I.; Limpijumnong, S.] Suranaree Univ Technol, Sch Phys, Nakhon Ratchasima 30000, Thailand. [Fongkaew, I.; Limpijumnong, S.] Suranaree Univ Technol, NANOTEC SUT Ctr Excellence Adv Funct Nanomat, Nakhon Ratchasima 30000, Thailand. [Du, M. H.; Singh, D. J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP T-Thienprasert, J (reprint author), Kasetsart Univ, Fac Sci, Dept Phys, Bangkok 10900, Thailand. EM fscicwt@ku.ac.th RI Du, Mao-Hua/B-2108-2010 OI Du, Mao-Hua/0000-0001-8796-167X FU NANOTEC, NSTDA (Thailand) through its Center of Excellence Network program; Development and Promotion of Science and Technology (DPST); U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; TRF; KURDI FX The work at Suranaree University of Technology was supported by NANOTEC, NSTDA (Thailand) through its Center of Excellence Network program. T. Watcharatarapong and I. Fongkaew acknowledge the scholarship from the Development and Promotion of Science and Technology (DPST). The work at Oak Ridge National Laboratory is supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. J. T-Thienprasert is funded by TRF 2014 and KURDI. NR 27 TC 3 Z9 3 U1 1 U2 29 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 28 PY 2014 VL 115 IS 20 AR 203511 DI 10.1063/1.4880157 PG 6 WC Physics, Applied SC Physics GA AI8FG UT WOS:000337143500027 ER PT J AU Tilli, JM Jussila, H Yu, KM Huhtio, T Sopanen, M AF Tilli, J. -M. Jussila, H. Yu, K. M. Huhtio, T. Sopanen, M. TI Composition determination of quaternary GaAsPN layers from single X-ray diffraction measurement of quasi-forbidden (002) reflection SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SUPERLATTICES; MULTILAYERS AB GaAsPN layers with a thickness of 30 nm were grown on GaP substrates with metalorganic vapor phase epitaxy to study the feasibility of a single X-ray diffraction (XRD) measurement for full composition determination of quaternary layer material. The method is based on the peak intensity of a quasi-forbidden (002) reflection, which is shown to vary with changing arsenic content for GaAsPN. The method works for thin films with a wide range of arsenic contents and shows a clear variation in the reflection intensity as a function of changing layer composition. The obtained thicknesses and compositions of the grown layers are compared with accurate reference values obtained by Rutherford backscattering spectroscopy combined with nuclear reaction analysis measurements. Based on the comparison, the error in the XRD defined material composition becomes larger with increasing nitrogen content and layer thickness. This suggests that the dominating error source is the deteriorated crystal quality due to the nonsubstitutional incorporation of nitrogen into the crystal lattice and strain relaxation. The results reveal that the method overestimates the arsenic and nitrogen content within error margins of about 0.12 and about 0.025, respectively. (C) 2014 AIP Publishing LLC. C1 [Tilli, J. -M.; Jussila, H.; Huhtio, T.; Sopanen, M.] Aalto Univ, Dept Micro & Nanosci, FI-00076 Aalto, Finland. [Yu, K. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Tilli, JM (reprint author), Aalto Univ, Dept Micro & Nanosci, POB 13500, FI-00076 Aalto, Finland. EM juha-matti.tilli@iki.fi RI Huhtio, Teppo/G-5545-2014; Sopanen, Markku/L-2501-2013; OI Huhtio, Teppo/0000-0002-4975-3308; Sopanen, Markku/0000-0002-3731-5044; Yu, Kin Man/0000-0003-1350-9642 NR 17 TC 3 Z9 3 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 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 28 PY 2014 VL 115 IS 20 AR 203102 DI 10.1063/1.4878939 PG 8 WC Physics, Applied SC Physics GA AI8FG UT WOS:000337143500002 ER PT J AU Yan, SA Xiong, Y Tang, MH Li, Z Xiao, YG Zhang, WL Zhao, W Guo, HX Ding, H Chen, JW Zhou, YC AF Yan, S. A. Xiong, Y. Tang, M. H. Li, Z. Xiao, Y. G. Zhang, W. L. Zhao, W. Guo, H. X. Ding, H. Chen, J. W. Zhou, Y. C. TI Impact of total ionizing dose irradiation on electrical property of ferroelectric-gate field-effect transistor SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID NONVOLATILE-MEMORY APPLICATIONS; POLARIZATION; CAPACITORS; DEPENDENCE; FILMS; FET AB P-type channel metal-ferroelectric-insulator-silicon field-effect transistors (FETs) with a 300 nm thick SrBi2Ta2O9 ferroelectric film and a 10 nm thick HfTaO layer on silicon substrate were fabricated and characterized. The prepared FeFETs were then subjected to Co-60 gamma irradiation in steps of three dose levels. Irradiation-induced degradation on electrical characteristics of the fabricated FeFETs was observed after 1 week annealing at room temperature. The possible irradiation-induced degradation mechanisms were discussed and simulated. All the irradiation experiment results indicated that the stability and reliability of the fabricated FeFETs for nonvolatile memory applications will become uncontrollable under strong irradiation dose and/or long irradiation time. (C) 2014 AIP Publishing LLC. C1 [Yan, S. A.; Tang, M. H.; Li, Z.; Xiao, Y. G.; Zhang, W. L.; Ding, H.; Chen, J. W.; Zhou, Y. C.] Xiangtan Univ, Minist Educ, Key Lab Low Dimens Mat & Applicat Technol, Xiangtan 411105, Hunan, Peoples R China. [Xiong, Y.] Xiangtan Univ, Sch Math & Computat Sci, Xiangtan 411105, Hunan, Peoples R China. [Li, Z.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Zhao, W.; Guo, H. X.] Northwest Inst Nucl Technol, Xian 710024, Shanxi, Peoples R China. RP Tang, MH (reprint author), Xiangtan Univ, Minist Educ, Key Lab Low Dimens Mat & Applicat Technol, Xiangtan 411105, Hunan, Peoples R China. EM mhtang@xtu.edu.cn FU National Natural Science Foundation of China (NSFC) [11032010]; NSFC [61274107, 61176093, 11275163]; 973 Program [2012CB326404]; Key Project of Hunan Provincial NSFC [13JJ2023]; Key Project of Scientific Research Fund of Hunan Provincial Education Department [12A129]; Hunan Provincial Innovation Foundation for Postgraduate [CX2013B257, CX2013B261]; Opening Project of Science and Technology on Reliability Physics and Application Technology of Electronic Component Laboratory [ZHD201304] FX This work was financially supported by Key Project of National Natural Science Foundation of China (NSFC) (Grant No. 11032010), NSFC (Grant Nos. 61274107, 61176093, and 11275163), 973 Program (Grant No. 2012CB326404), Key Project of Hunan Provincial NSFC (Grant No. 13JJ2023), Key Project of Scientific Research Fund of Hunan Provincial Education Department (Grant No. 12A129), Hunan Provincial Innovation Foundation for Postgraduate (Grant Nos. CX2013B257 and CX2013B261), and the Opening Project of Science and Technology on Reliability Physics and Application Technology of Electronic Component Laboratory (Grant No. ZHD201304). NR 25 TC 7 Z9 7 U1 2 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD MAY 28 PY 2014 VL 115 IS 20 DI 10.1063/1.4878416 PG 6 WC Physics, Applied SC Physics GA AI8FG UT WOS:000337143500088 ER PT J AU Appelquist, T Berkowitz, E Brower, RC Buchoff, MI Fleming, GT Kiskis, J Lin, MF Neil, ET Osborn, JC Rebbi, C Rinaldi, E Schaich, D Schroeder, C Syritsyn, S Voronov, G Vranas, P Weinberg, E Witzel, O Kribs, GD AF Appelquist, T. Berkowitz, E. Brower, R. C. Buchoff, M. I. Fleming, G. T. Kiskis, J. Lin, M. F. Neil, E. T. Osborn, J. C. Rebbi, C. Rinaldi, E. Schaich, D. Schroeder, C. Syritsyn, S. Voronov, G. Vranas, P. Weinberg, E. Witzel, O. Kribs, G. D. CA Lattice Strong Dynamics LSD Collab TI Composite bosonic baryon dark matter on the lattice: SU(4) baryon spectrum and the effective Higgs interaction SO PHYSICAL REVIEW D LA English DT Article ID E(+)E(-) COLLISIONS; LARGE N; MASS SPLITTINGS; EXPANSION; MODEL; PARTICLES; NUCLEONS; MOMENTS; SEARCH; SCALAR AB We present the spectrum of baryons in SU(4) gauge theory with fundamental fermion constituents, which is of significant interest for composite dark matter model building. We first compare the spectra and properties of baryons in SU(3) and SU(4) gauge theories (in which they are fermionic and bosonic, respectively) and then compute the cross section for direct detection of dark matter via Higgs boson exchange for TeV-scale composite dark matter arising from a confining SU(4) gauge sector. Comparison with the latest LUX results leads to tight bounds on the fraction of the mass of the constituent fermion that may arise from electroweak symmetry breaking. Lattice calculations of the dark matter mass spectrum and the Higgs-dark-matter coupling are performed on quenched 16(3) x 32, 32(3) x 64, 48(3) x 96, and 64(3) x 128 lattices with three different lattice spacings, using Wilson fermions with moderate to large pseudoscalar meson masses. Our results lay a foundation for future analytic and numerical studies of composite baryonic dark matter. C1 [Appelquist, T.; Fleming, G. T.; Voronov, G.] Yale Univ, Dept Phys, Sloane Lab, New Haven, CT 06520 USA. [Berkowitz, E.; Rinaldi, E.; Schroeder, C.; Vranas, P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Brower, R. C.; Rebbi, C.; Weinberg, E.; Witzel, O.] Boston Univ, Dept Phys, Boston, MA 02215 USA. [Buchoff, M. I.] Univ Washington, Inst Nucl Theory, Seattle, WA 98195 USA. [Kiskis, J.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Lin, M. F.; Osborn, J. C.] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA. [Lin, M. F.] Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA. [Neil, E. T.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Neil, E. T.; Syritsyn, S.] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Schaich, D.] Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA. [Kribs, G. D.] Inst Adv Study, Sch Nat Sci, Princeton, NJ 08540 USA. [Kribs, G. D.] Univ Oregon, Dept Phys, Eugene, OR 97403 USA. RP Appelquist, T (reprint author), Yale Univ, Dept Phys, Sloane Lab, New Haven, CT 06520 USA. RI Schaich, David/J-6644-2013; OI Schaich, David/0000-0002-9826-2951; Rinaldi, Enrico/0000-0003-4134-809X FU LDRD [13-ERD-023]; U. S. Department of Energy [DE-SC0008669, DE-SC0009998, DE-SC0010025, DE-FG02-92ER-40704, DE-FG02-96ER40969, DE-FG02-00ER41132, DE-AC52-07NA27344]; Argonne Leadership Computing Facility [DE-AC02-06CH11357]; National Science Foundation [NSF PHY11-00905, PHY09-18108, OCI-0749300]; Office of Nuclear Physics in the US Department of Energy's Office of Science [DE-AC02-05CH11231] FX M. I. B. would like to thank Tom DeGrand, Rich Lebed, and Martin Savage for very enlightening discussions that greatly aided the direction and presentation of this work. We thank the Lawrence Livermore National Laboratory (LLNL) Multiprogrammatic and Institutional Computing program for Grand Challenge allocations and time on the LLNL BlueGene/Q (rzuseq and vulcan) supercomputer. We thank LLNL for funding from LDRD Grant No. 13-ERD-023 "Illuminating the Dark Universe with PetaFlops Supercomputing." Computing support for this work comes from the LLNL Institutional Computing Grand Challenge program. G. D. K. thanks the Ambrose Monell Foundation for support while at the Institute for Advanced Study. M. I. B. and E. T. N. thank the Institute for Advanced Study and the University of Oregon for hospitality during the course of this work. This work has been supported by the U. S. Department of Energy under Grants No. DE-SC0008669 and No. DE-SC0009998 (D. S.), No. DE-SC0010025 (R. C. B., C. R., and E. W.), No. DE-FG02-92ER-40704 (T. A.), No. DE-FG02-96ER40969 (G. D. K.), and No. DE-FG02-00ER41132 (M. I. B.); Contracts No. DE-AC52-07NA27344 (LLNL) and No. DE-AC02-06CH11357 (Argonne Leadership Computing Facility); and by the National Science Foundation under Grants No. NSF PHY11-00905 (G. F. and G. V.), No. PHY09-18108 (G. D. K.), and No. OCI-0749300 (O. W.). S. N. S was supported by the Office of Nuclear Physics in the US Department of Energy's Office of Science under Contract No. DE-AC02-05CH11231. NR 86 TC 14 Z9 14 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 28 PY 2014 VL 89 IS 9 AR 094508 DI 10.1103/PhysRevD.89.094508 PG 18 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AI3KJ UT WOS:000336759700006 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 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CA CMS Collaboration TI Measurement of four-jet production in proton-proton collisions at root s=7 TeV SO PHYSICAL REVIEW D LA English DT Article ID DOUBLE PARTON SCATTERING; (P)OVER-BAR-P COLLISIONS; S=1.8 TEV AB Measurements of the differential cross sections for the production of exactly four jets in proton-proton collisions are presented as a function of the transverse momentum p(T) and pseudorapidity eta, together with the correlations in azimuthal angle and the p(T) balance among the jets. The data sample was collected in 2010 at a center-of-mass energy of 7 TeV with the CMS detector at the LHC, with an integrated luminosity of 36 pb(-1). The cross section for exactly four jets, with two hard jets of p(T) > 50 GeV each, together with two jets of p(T) > 20 GeV each, within vertical bar eta vertical bar < 4.7 is measured to be sigma = 330 +/- 5(stat.) +/- 45(syst.) nb. 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[Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; My, S.; Pugliese, G.] Politecn Bari, Bari, Italy. [Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Meneghelli, M.; Montanari, A.; Navarria, F. L.; Odorici, F.; Perrotta, A.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Codispoti, G.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Meneghelli, M.; Navarria, F. L.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Univ Bologna, Bologna, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.] Ist Nazl Fis Nucl, Sez Catania, I-95129 Catania, Italy. [Albergo, S.; Chiorboli, M.; Costa, S.; Tricomi, A.; Tuve, C.; Potenza, A.] Univ Catania, Catania, Italy. CSFNSM, Catania, Italy. [Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Gallo, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.] Ist Nazl Fis Nucl, Sez Firenze, I-50125 Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Tropiano, A.] Univ Florence, Florence, Italy. [Fabbri, F.; Benussi, L.; Bianco, S.; Piccolo, D.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Fabbricatore, P.; Ferretti, R.; Ferro, F.; Lo Vetere, M.; Musenich, R.; Robutti, E.; Tosi, S.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Ferretti, R.; Lo Vetere, M.; Tosi, S.] Univ Genoa, Genoa, Italy. [Benaglia, A.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Gerosa, R.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Marzocchi, B.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; de Fatis, T. Tabarelli] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20133 Milan, Italy. [Dinardo, M. E.; Fiorendi, S.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Manzoni, R. A.; Martelli, A.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Cavallo, N.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] Ist Nazl Fis Nucl, Sez Napoli, I-80125 Naples, Italy. [Iorio, A. O. M.] Univ Naples Federico II, Naples, Italy. [Cavallo, N.; Fabozzi, F.] Univ Basilicata Potenza, Naples, Italy. [Meola, S.] Univ G Marconi Roma, Naples, Italy. [Azzi, P.; Bacchetta, N.; Bisello, D.; Branca, A.; Carlin, R.; Checchia, P.; Dorigo, T.; Fantinel, S.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Gozzelino, A.; Gulmini, M.; Kanishchev, K.; Lacaprara, S.; Lazzizzera, I.; Margoni, M.; Maron, G.; Meneguzzo, A. T.; Michelotto, M.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Zotto, P.; Zucchetta, A.] Ist Nazl Fis Nucl, Sez Padova, Padua, Italy. [Bisello, D.; Branca, A.; Carlin, R.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Tosi, M.; Zotto, P.; Zucchetta, A.] 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.; Fan, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Romeo, F.; Saha, A.; Santocchia, A.; Spiezia, A.] Ist Nazl Fis Nucl, Sez Perugia, I-06100 Perugia, Italy. [Biasini, M.; Fan, L.; Lariccia, P.; Mantovani, G.; 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.; 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. 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[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. [Lee, S.; Choi, Y.; Choi, Y. K.; Goh, J.; Kwon, E.; Lee, B.; Lee, J.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Juodagalvis, A.] Villanova Univ, Vilnius, Lithuania. [Komaragiri, J. R.] Univ Malaya Jabatan Fizik, Kuala Lumpur, Malaysia. [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. 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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, TR-06531 Ankara, Turkey. [Gulmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.] Bogazici Univ, Istanbul, Turkey. [Bahtiyar, H.; Barlas, E.; Cankocak, K.; Vardarli, F. I.; Yucel, M.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.; Sorokin, P.] Kharkov 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.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [Belyaev, A.; Newbold, D. M.; Bell, K. W.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Ilic, J.; Olaiya, E.; Petyt, D.; 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. [Bhattacharya, S.; Alimena, J.; Christopher, G.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.; Swanson, J.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De la Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Kopecky, A.; Lander, R.; Miceli, T.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Rutherford, B.; Searle, M.; Shalhout, S.; Smith, J.; Squires, M.; Tripathi, M.; Wilbur, S.; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Weber, M.; Andreev, V.; Cline, D.; Cousins, R.; Erhan, S.; Everaerts, P.; Farrell, C.; Felcini, M.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Rakness, G.; Schlein, P.; Takasugi, E.; Valuev, V.] Univ Calif Los Angeles, Los Angeles, CA USA. [Liu, H.; Babb, J.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Jandir, P.; Lacroix, F.; Long, O. R.; Luthra, A.; Malberti, M.; Nguyen, H.; Shrinivas, A.; Sturdy, J.; Sumowidagdo, S.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Sharma, V.; Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Evans, D.; Holzner, A.; Kelley, R.; Kovalskyi, D.; Lebourgeois, M.; Letts, J.; Macneill, I.; Padhi, S.; Palmer, C.; Pieri, M.; Sani, M.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Wuerthwein, F.; Yagil, A.; Yoo, J.] Univ Calif San Diego, San Diego, CA 92103 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.; Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Di Marco, E.; Duarte, J.; Kcira, D.; Mott, A.; Newman, H. B.; Pena, C.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Wilkinson, R.; Xie, S.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Paulini, M.; Russ, J.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Drell, B. R.; Ford, W. T.; Gaz, A.; Lopez, E. Luiggi; Nauenberg, U.; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Eggert, N.; Gibbons, L. K.; Hopkins, W.; Khukhunaishvili, A.; Kreis, B.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Gottschalk, E.; Gray, L.; Green, D.; Gruenendahl, S.; Gutsche, O.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Kaadze, K.; Klima, B.; Kwan, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoorn, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Ratnikova, N.; Sexton-Kennedy, E.; Sharma, S.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitbeck, A.; Whitmore, J.; Wu, W.; Yang, F.; Yun, J. C.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Acosta, D.; Avery, P.; Bourilkov, D.; Cheng, T.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Dobur, D.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, I. K.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Rinkevicius, A.; Shchutska, L.; Skhirtladze, N.; Snowball, M.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, T.; Askew, A.; Bochenek, J.; Chen, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA. [Baarmand, M. M.; Dorney, B.; Hohlmann, M.; Kalakhety, H.; Yumiceva, F.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Apanasevich, L.; Bazterra, V. E.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Kurt, P.; Moon, D. H.; O'Brien, C.; Silkworth, C.; Turner, P.; Varelas, N.] Univ Illinois, Chicago, IL USA. [Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Dilsiz, K.; Duru, F.; Haytmyradov, M.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Swartz, M.] Johns Hopkins Univ, Baltimore, MD USA. [Sibille, J.; Baringer, P.; Bean, A.; Benelli, G.; Iii, R. P. Kenny; Murray, M.; Noonan, D.; Sanders, S.; Sekaric, J.; Stringer, R.; Wang, Q.; Wood, J. S.] Univ Kansas, Lawrence, KS 66045 USA. [Barfuss, A. F.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Shrestha, S.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Baden, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Barbieri, R.; Bauer, G.; Busza, W.; Cali, I. A.; Chan, M.; Di Matteo, L.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Gulhan, D.; Klute, M.; Lai, Y. S.; Lee, Y. -J.; Levin, A.; Luckey, P. D.; Ma, T.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Velicanu, D.; Veverka, J.; Wyslouch, B.; Yang, M.; Yoon, A. S.; Zanetti, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA. [Dahmes, B.; De Benedetti, A.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Acosta, J. G.; Cremaldi, L. M.; Kroeger, R.; Oliveros, S.; Perera, L.; Rahmat, R.; Sanders, D. A.; Summers, D.] Univ Mississippi, Oxford, MS USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Suarez, R. Gonzalez; Keller, J.; Knowlton, D.; Kravchenko, I.; Lazo-Flores, J.; Malik, S.; Meier, F.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Kumar, A.; Dolen, J.; Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Rappoccio, S.] 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.; Kellams, N.; Kolb, J.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Morse, D. M.; Pearson, T.; Planer, M.; Ruchti, R.; Slaunwhite, J.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Antonelli, L.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Smith, G.; Vuosalo, C.; Winer, B. L.; Wolfe, H.; Wulsin, H. W.] Ohio State Univ, Columbus, OH 43210 USA. [Berry, E.; Elmer, P.; Halyo, V.; Hebda, P.; Hegeman, J.; Hunt, A.; Jindal, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Raval, A.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zenz, S. C.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Lopez, A.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [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. [Li, W.; Adair, A.; Akgun, B.; Ecklund, K. M.; Geurts, F. J. M.; Michlin, B.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; Covarelli, R.; De Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Miner, D. C.; Petrillo, G.; Vishnevskiy, D.; Zielinski, M.] Univ Rochester, Rochester, NY USA. [Malik, S.; Bhatti, A.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Mesropian, C.] Rockefeller Univ, New York, NY 10021 USA. [Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Rekovic, V.; Robles, J.; Salur, S.; Schnetzer, S.; Seitz, C.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.] Rutgers State Univ, Piscataway, NJ USA. [Rose, K.; Spanier, S.; Yang, Z. C.; York, A.] Univ Tennessee, Knoxville, TN USA. [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. [Mao, Y.; Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Johns, W.; Maguire, C.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.] Vanderbilt Univ, Nashville, TN 37235 USA. [Arenton, M. W.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Lin, C.; Neu, C.; Wood, J.] Univ Virginia, Charlottesville, VA USA. [Gollapinni, S.; Harr, R.; Karchin, P. E.; Don, C. Kottachchi Kankanamge; Lamichhane, P.] Wayne State Univ, Detroit, MI USA. [Belknap, D. A.; Borrello, L.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Duric, S.; Friis, E.; Grothe, M.; Hall-Wilton, R.; Herndon, M.; Herve, A.; Klabbers, P.; Klukas, J.; Lanaro, A.; Levine, A.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ross, I.; Sakharov, A.; Sarangi, T.; Savin, A.; Smith, W. H.] Univ Wisconsin, Madison, WI USA. [Fabjan, C.; Fruehwirth, R.; Jeitler, M.; Krammer, M.; Wulz, C. -E.] Vienna Univ Technol, A-1040 Vienna, Austria. [Chinellato, J.; Tonelli Manganote, E. 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Flix, Josep/G-5414-2012; Della Ricca, Giuseppe/B-6826-2013; Wulz, Claudia-Elisabeth/H-5657-2011; Belyaev, Alexander/F-6637-2015; Stahl, Achim/E-8846-2011; Trocsanyi, Zoltan/A-5598-2009; Cavallo, Nicola/F-8913-2012; Hernandez Calama, Jose Maria/H-9127-2015; ciocci, maria agnese /I-2153-2015; Bedoya, Cristina/K-8066-2014; Michelotto, Michele/A-9571-2013; My, Salvatore/I-5160-2015; Lo Vetere, Maurizio/J-5049-2012; Gonzalez Caballero, Isidro/E-7350-2010; Codispoti, Giuseppe/F-6574-2014; Yazgan, Efe/A-4915-2015; Dahms, Torsten/A-8453-2015; 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; Scodellaro, Luca/K-9091-2014; Calvo Alamillo, Enrique/L-1203-2014; VARDARLI, Fuat Ilkehan/B-6360-2013; Dudko, Lev/D-7127-2012; Manganote, Edmilson/K-8251-2013; Paulini, Manfred/N-7794-2014; Vogel, Helmut/N-8882-2014; Ferguson, Thomas/O-3444-2014; Ragazzi, Stefano/D-2463-2009; Benussi, Luigi/O-9684-2014; Leonidov, Andrey/P-3197-2014; Russ, James/P-3092-2014; vilar, rocio/P-8480-2014; Novaes, Sergio/D-3532-2012; de la Cruz, Begona/K-7552-2014; Lokhtin, Igor/D-7004-2012; Montanari, Alessandro/J-2420-2012; Moon, Chang-Seong/J-3619-2014; Gregores, Eduardo/F-8702-2012; Gribushin, Andrei/J-4225-2012; Cerrada, Marcos/J-6934-2014; Torassa, Ezio/I-1788-2012; Venturi, Andrea/J-1877-2012; Calderon, Alicia/K-3658-2014; Josa, Isabel/K-5184-2014; OI Abdelalim, Ahmed Ali/0000-0002-2056-7894; Diemoz, Marcella/0000-0002-3810-8530; Tricomi, Alessia Rita/0000-0002-5071-5501; Ghezzi, Alessio/0000-0002-8184-7953; bianco, stefano/0000-0002-8300-4124; Demaria, Natale/0000-0003-0743-9465; Benaglia, Andrea Davide/0000-0003-1124-8450; Covarelli, Roberto/0000-0003-1216-5235; Ciulli, Vitaliano/0000-0003-1947-3396; Androsov, Konstantin/0000-0003-2694-6542; Fiorendi, Sara/0000-0003-3273-9419; Martelli, Arabella/0000-0003-3530-2255; Gonzi, Sandro/0000-0003-4754-645X; 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; Gerosa, Raffaele/0000-0001-8359-3734; 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; Ligabue, Franco/0000-0002-1549-7107; Xie, Si/0000-0003-2509-5731; Leonardo, Nuno/0000-0002-9746-4594; Goh, Junghwan/0000-0002-1129-2083; Ruiz, Alberto/0000-0002-3639-0368; Govoni, Pietro/0000-0002-0227-1301; Tuominen, Eija/0000-0002-7073-7767; Yazgan, Efe/0000-0001-5732-7950; Bean, Alice/0000-0001-5967-8674; Longo, Egidio/0000-0001-6238-6787; Tomei, Thiago/0000-0002-1809-5226; Paganoni, Marco/0000-0003-2461-275X; Gulmez, Erhan/0000-0002-6353-518X; Tinoco Mendes, Andre David/0000-0001-5854-7699; Vilela Pereira, Antonio/0000-0003-3177-4626; Sznajder, Andre/0000-0001-6998-1108; Da Silveira, Gustavo Gil/0000-0003-3514-7056; Mundim, Luiz/0000-0001-9964-7805; Haj Ahmad, Wael/0000-0003-1491-0446; Konecki, Marcin/0000-0001-9482-4841; Rovelli, Tiziano/0000-0002-9746-4842; Matorras, Francisco/0000-0003-4295-5668; TUVE', Cristina/0000-0003-0739-3153; KIM, Tae Jeong/0000-0001-8336-2434; de Jesus Damiao, Dilson/0000-0002-3769-1680; Flix, Josep/0000-0003-2688-8047; Della Ricca, Giuseppe/0000-0003-2831-6982; Wulz, Claudia-Elisabeth/0000-0001-9226-5812; Belyaev, Alexander/0000-0002-1733-4408; Stahl, Achim/0000-0002-8369-7506; Trocsanyi, Zoltan/0000-0002-2129-1279; Hernandez Calama, Jose Maria/0000-0001-6436-7547; ciocci, maria agnese /0000-0003-0002-5462; Bedoya, Cristina/0000-0001-8057-9152; Michelotto, Michele/0000-0001-6644-987X; My, Salvatore/0000-0002-9938-2680; Lo Vetere, Maurizio/0000-0002-6520-4480; Gonzalez Caballero, Isidro/0000-0002-8087-3199; Codispoti, Giuseppe/0000-0003-0217-7021; Dahms, Torsten/0000-0003-4274-5476; 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; Scodellaro, Luca/0000-0002-4974-8330; Calvo Alamillo, Enrique/0000-0002-1100-2963; Dudko, Lev/0000-0002-4462-3192; Paulini, Manfred/0000-0002-6714-5787; Vogel, Helmut/0000-0002-6109-3023; Ferguson, Thomas/0000-0001-5822-3731; Ragazzi, Stefano/0000-0001-8219-2074; Benussi, Luigi/0000-0002-2363-8889; Russ, James/0000-0001-9856-9155; Novaes, Sergio/0000-0003-0471-8549; Montanari, Alessandro/0000-0003-2748-6373; Moon, Chang-Seong/0000-0001-8229-7829; Cerrada, Marcos/0000-0003-0112-1691; Levchenko, Petr/0000-0003-4913-0538; Giubilato, Piero/0000-0003-4358-5355; Gallinaro, Michele/0000-0003-1261-2277; Sogut, Kenan/0000-0002-9682-2855 FU BMWF (Austria); FWF (Austria); FNRS (Belgium); FWO (Belgium); CNPq (Brazil); CAPES (Brazil); FAPERJ (Brazil); FAPESP (Brazil); MES (Bulgaria); CERN; CAS (China); MoST (China); NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); CSF (Croatia); RPF (Cyprus); MoER (Estonia) [SF0690030s09]; ERDF (Estonia); Academy IN2P3 (France); BMBF (Germany); DFG (Germany); HGF (Germany); GSRT (Greece); OTKA (Hungary); NIH (Hungary); DAE (India); DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF (Republic of Korea); WCU (Republic of Korea); LAS (Lithuania); CINVESTAV (Mexico); CONACYT (Mexico); SEP (Mexico); UASLP-FAI (Mexico); MBIE (New Zealand); PAEC (Pakistan); MSHE (Poland); NSC (Poland); FCT (Portugal); JINR (Dubna); MON (Russia); RosAtom (Russia); RAS (Russia); RFBR (Russia); MESTD (Serbia); SEIDI (Spain); CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter (Thailand); IPST (Thailand); STAR (Thailand); NSTDA (Thailand); TUBITAK (Turkey); TAEK (Turkey); NASU (Ukraine); 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; Thalis program; Aristeia program; EU-ESF; Greek NSRF FX We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC and thank the technical and administrative staffs at CERN and at other CMS institutes for their contributions to the success of the CMS effort. In addition, we gratefully acknowledge the computing centers and personnel of the Worldwide LHC Computing Grid for delivering so effectively the computing infrastructure essential to our analyses. Finally, we acknowledge the enduring support for the construction and operation of the LHC and the CMS detector provided by the following funding agencies: BMWF and FWF (Austria); FNRS and FWO (Belgium); CNPq, CAPES, FAPERJ, and FAPESP (Brazil); MES (Bulgaria); CERN; CAS, MoST, and NSFC (China); COLCIENCIAS (Colombia); MSES and CSF (Croatia); RPF (Cyprus); MoER, SF0690030s09 and ERDF (Estonia); Academy IN2P3 (France); BMBF, DFG, and HGF (Germany); GSRT (Greece); OTKA and NIH (Hungary); DAE and DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF and WCU (Republic of Korea); LAS (Lithuania); CINVESTAV, CONACYT, SEP, and UASLP-FAI (Mexico); MBIE (New Zealand); PAEC (Pakistan); MSHE and NSC (Poland); FCT (Portugal); JINR (Dubna); MON, RosAtom, RAS and RFBR (Russia); MESTD (Serbia); SEIDI and CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter, IPST, STAR and NSTDA (Thailand); TUBITAK and TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE and NSF (USA). Individuals have received support from the Marie-Curie programme and the European Research Council and EPLANET (European Union); the Leventis Foundation; the A. P. Sloan Foundation; the Alexander von Humboldt Foundation; the Belgian Federal Science Policy Office; the Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); the Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); the Ministry of Education, Youth and Sports (MEYS) of Czech Republic; the Council of Science and Industrial Research, India; the Compagnia di San Paolo (Torino); the HOMING PLUS programme of Foundation for Polish Science, cofinanced by EU, Regional Development Fund; and the Thalis and Aristeia programmes cofinanced by EU-ESF and the Greek NSRF. NR 56 TC 13 Z9 13 U1 5 U2 73 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 28 PY 2014 VL 89 IS 9 AR 092010 DI 10.1103/PhysRevD.89.092010 PG 19 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AI3KJ UT WOS:000336759700001 ER PT J AU Arthur, TS Zhang, RG Ling, C Glans, PA Fan, XD Guo, JH Mizuno, F AF Arthur, Timothy S. Zhang, Ruigang Ling, Chen Glans, Per-Anders Fan, Xudong Guo, Jinghua Mizuno, Fuminori TI Understanding the Electrochemical Mechanism of K-alpha MnO2 for Magnesium Battery Cathodes SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE magnesium batteries; cathodes; transmission electron microscopy; soft-X-ray absorption spectroscopy ID RECHARGEABLE MG BATTERIES; ION BATTERIES; LITHIUM BATTERIES; MANGANESE OXIDES; X-RAY; INTERCALATION; ELECTRODES; BI; LITHIATION; CHALLENGE AB Batteries based on magnesium are an interesting alternative to current state-of-the-art lithium-ion systems; however, high-energy-density cathodes are needed for further development. Here we utilize TEM, EDS, and EELS in addition to soft-XAS to determine electrochemical magnesiation mechanism of a high-energy density cathode, K-alpha MnO2. Rather than following the typical insertion mechanism similar to Li+, we propose the gradual reduction of K-alpha MnO2 to form Mn2O3 then MnO at the interface of the cathode and electrolyte, finally resulting in the formation of K-alpha MnO2@(Mg,Mn)O core-shell product after discharge of the battery. Understanding the mechanism is a vital guide for future magnesium battery cathodes. C1 [Arthur, Timothy S.; Zhang, Ruigang; Ling, Chen; Mizuno, Fuminori] Toyota Res Inst North Amer, Ann Arbor, MI 48105 USA. [Glans, Per-Anders; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Fan, Xudong] Michigan State Univ, Ctr Adv Microscopy, E Lansing, MI 48824 USA. RP Arthur, TS (reprint author), Toyota Res Inst North Amer, 1555 Woodridge Ave, Ann Arbor, MI 48105 USA. EM tim.arthur@tema.toyota.com RI zhang, ruigang/H-7317-2014; Glans, Per-Anders/G-8674-2016 FU Office of Science, Office of Basic Energy Science, of the U.S, Department of Energy [DE-AC02-05CH11231] FX The authors thank Dr. Masaki Matsui for important discussions about K-alpha MnO2. The work at the Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Science, of the U.S, Department of Energy, under Contract DE-AC02-05CH11231. NR 27 TC 36 Z9 36 U1 14 U2 185 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD MAY 28 PY 2014 VL 6 IS 10 BP 7004 EP 7008 DI 10.1021/am5015327 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AI1TZ UT WOS:000336639200003 PM 24807043 ER PT J AU Jeon, JW Sharma, R Meduri, P Arey, BW Schaef, HT Lutkenhaus, JL Lemmon, JP Thallapally, PK Nandasiri, MI McGrail, BP Nune, SK AF Jeon, Ju-Won Sharma, Ronish Meduri, Praveen Arey, Bruce W. Schaef, Herbert T. Lutkenhaus, Jodie L. Lemmon, John P. Thallapally, Praveen K. Nandasiri, Manjula I. McGrail, Benard Peter Nune, Satish K. TI In Situ One-Step Synthesis of Hierarchical Nitrogen-Doped Porous Carbon for High-Performance Supercapacitors SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE nitrogen-doped porous carbon; supercapacitor; metal-organic framework; energy storage; electrochemistry ID METAL-ORGANIC FRAMEWORK; FUNCTIONALIZED IONIC LIQUIDS; ENERGY-STORAGE APPLICATIONS; REDUCED GRAPHENE OXIDE; HIGH-SURFACE-AREA; MESOPOROUS CARBONS; NANOPOROUS CARBONS; HIGH-POWER; DIRECT CARBONIZATION; LITHIUM BATTERIES AB A hierarchically structured nitrogen-doped porous carbon is prepared from a nitrogen-containing isoreticular metal-organic framework (IRMOF-3) using a self-sacrificial templating method. IRMOF-3 itself provides the carbon and nitrogen content as well as the porous structure. For high carbonization temperatures (950 degrees C), the carbonized MOF required no further purification steps, thus eliminating the need for solvents or acid. Nitrogen content and surface area are easily controlled by the carbonization temperature. The nitrogen content decreases from 7 to 3.3 at % as carbonization temperature increases from 600 to 950 degrees C. There is a distinct trade-off between nitrogen content, porosity, and defects in the carbon structure. Carbonized IRMOFs are evaluated as supercapacitor electrodes. For a carbonization temperature of 950 degrees C, the nitrogen-doped porous carbon has an exceptionally high capacitance of 239 F g(-1). In comparison, an analogous nitrogen-free carbon bears a low capacitance of 24 F demonstrating the importance of nitrogen dopants in the charge storage process. The route is scalable in that multi-gram quantities of nitrogen-doped porous carbons are easily produced. C1 [Jeon, Ju-Won; Sharma, Ronish; Meduri, Praveen; Arey, Bruce W.; Lemmon, John P.; Nandasiri, Manjula I.; McGrail, Benard Peter; Nune, Satish K.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. [Schaef, Herbert T.; Thallapally, Praveen K.] Pacific NW Natl Lab, Fundamental Chem Sci Directorate, Richland, WA 99354 USA. [Jeon, Ju-Won; Lutkenhaus, Jodie L.] Texas A&M Univ, Artie McFerrin Dept Chem Engn, College Stn, TX 77843 USA. RP Lutkenhaus, JL (reprint author), Texas A&M Univ, Artie McFerrin Dept Chem Engn, College Stn, TX 77843 USA. EM Jodie.lutkenhaus@che.tamu.edu; Satish.Nune@pnnl.gov RI thallapally, praveen/I-5026-2014; OI thallapally, praveen/0000-0001-7814-4467; Lutkenhaus, Jodie/0000-0002-2613-6016 FU Pacific Northwest National Laboratory's (PNNL) LDRD program; Department of Energy's Office of Biological and Environmental Research, located at PNNL; DOE by Battelle [DE-AC05-76RL01830] FX S.K.N. thanks the Pacific Northwest National Laboratory's (PNNL) LDRD program for the support. SEM and XPS characterization were performed at EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research, located at PNNL. J.W.J. thanks PNNL for Internship opportunity. R.S. thanks the Department of Energy (DOE) for a Science Undergraduate Laboratory (SULI) Internship opportunity at PNNL. We thank Paul Martin for his help regarding the use of furnace. We also thank Zemin Nie for nitrogen-sorption measurements. PNNL is a multiprogram national laboratory operated for DOE by Battelle under Contract DE-AC05-76RL01830. NR 66 TC 72 Z9 74 U1 56 U2 504 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD MAY 28 PY 2014 VL 6 IS 10 BP 7214 EP 7222 DI 10.1021/am500339x PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AI1TZ UT WOS:000336639200030 PM 24784542 ER PT J AU Arnold, G Timilsina, R Fowlkes, J Orthacker, A Kothleitner, G Rack, PD Plank, H AF Arnold, Georg Timilsina, Rajendra Fowlkes, Jason Orthacker, Angelina Kothleitner, Gerald Rack, Philip D. Plank, Harald TI Fundamental Resolution Limits during Electron-Induced Direct-Write Synthesis SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE focused electron-beam-induced deposition; platinum; nanofabrication; Monte Carlo simulations; atomic force microscopy; transmission electron microscopy ID BEAM-INDUCED DEPOSITION; 3D NANOSTRUCTURES; NANOSCALE; REPAIR; SIMULATION; MOLECULE; MASKS AB In this study, we focus on the resolution limits for quasi 2-D single lines synthesized via focused electron-beam-induced direct-write deposition at 5 and 30 keV in a scanning electron microscope. To understand the relevant proximal broadening effects, the substrates were thicker than the beam penetration depth and we used the MeCpPt(IV)Me-3 precursor under standard gas injection system conditions. It is shown by experiment and simulation how backscatter electron yields increase during the initial growth stages which broaden the single lines consistent with the backscatter range of the deposited material. By this it is shown that the beam diameter together with the evolving backscatter radius of the deposit material determines the achievable line widths even for ultrathin deposit heights in the sub-5-nm regime. C1 [Arnold, Georg; Kothleitner, Gerald; Plank, Harald] Graz Univ Technol, Inst Electron Microscopy & Nanoanal, A-8010 Graz, Austria. [Timilsina, Rajendra; Rack, Philip D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Fowlkes, Jason; Rack, Philip D.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Orthacker, Angelina; Kothleitner, Gerald; Plank, Harald] Graz Ctr Electron Microscopy, A-8010 Graz, Austria. RP Plank, H (reprint author), Graz Univ Technol, Inst Electron Microscopy & Nanoanal, Steyrergasse 17, A-8010 Graz, Austria. EM harald.plank@felmi-zfe.at OI Rack, Philip/0000-0002-9964-3254 FU FFG Austria; Federal Ministry of Economy, Family and Youth of Austria [830186]; Intel Corporation - Semiconductor Research Corporation [SRC-2012-In-2310]; Center for Materails Processing; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The authors G.A., A.O., G.K. and H.P. gratefully acknowledge the valuable support provided by Prof. Dr. Ferdinand Hofer, DI Roland Schmied, Thomas Ganner, Martina Dienstleder, and Prof. Dr. Werner Grogger. The authors also acknowledge FFG Austria and the Federal Ministry of Economy, Family and Youth of Austria for their financial support (project number 830186). P.D.R. and R.T. acknowledges support from Intel Corporation (and Ted Liang as program mentor) via the direct funding program at the Semiconductor Research Corporation (SRC-2012-In-2310) and matching funds from the Center for Materails Processing. P.D.R. and J.D.F. acknowledge that some of the initial Monte Carlo and precursor simulation algorithms were generated at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 53 TC 12 Z9 12 U1 1 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD MAY 28 PY 2014 VL 6 IS 10 BP 7380 EP 7387 DI 10.1021/am5008003 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AI1TZ UT WOS:000336639200050 PM 24761930 ER PT J AU Zhang, L Cole, JM Dai, CC AF Zhang, Lei Cole, Jacqueline M. Dai, Chencheng TI Variation in Optoelectronic Properties of Azo Dye-Sensitized TiO2 Semiconductor Interfaces with Different Adsorption Anchors: Carboxylate, Sulfonate, Hydroxyl and Pyridyl Groups SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE dye-sensitized solar cell; first-principles; DFT; TDDFT; nanoparticles; anchor; azo; pyridyl; carboxylate; sulfonate; hydroxyl ID FORMIC-ACID ADSORPTION; SOLAR-CELLS; ORGANIC-DYES; OPTICAL-PROPERTIES; ANATASE 101; RECOMBINATION DYNAMICS; ELECTRON INJECTION; MOLECULAR-ORIGINS; FLUORESCENT DYES; CHARGE-TRANSFER AB The optoelectronic properties of four azo dye-sensitized TiO2 interfaces are systematically studied as a function of a changing dye anchoring group: carboxylate, sulfonate, hydroxyl, and pyridyl. The variation in optoelectronic properties of the free dyes and those in dye/TiO2 nanocomposites are studied both experimentally and computationally, in the context of prospective dye-sensitized solar cell (DSSC) applications. Experimental UV/vis absorption spectroscopy, cyclic voltammetry, and DSSC device performance testing reveal a strong dependence on the nature of the anchor of the optoelectronic properties of these dyes, both in solution and as dye/TiO2 nanocomposites. First-principles calculations on both an isolated dye/TiO2 cluster model (using localized basis sets) and each dye modeled onto the surface of a 2D periodic TiO2 nanostructure (using plane wave basis sets) are presented. Detailed examination of these experimental and computational results, in terms of light harvesting, electron conversion and photovoltaic device performance characteristics, indicates that carboxylate is the best anchoring group, and hydroxyl is the worst, whereas sulfonate and pyridyl groups exhibit competing potential. Different sensitization solvents are found to affect critically the extent of dye adsorption achieved in the dye-sensitization of the TiO2 semiconductor, especially where the anchor is a pyridyl group. C1 [Zhang, Lei; Cole, Jacqueline M.] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. [Cole, Jacqueline M.] Argonne Natl Lab, Argonne, IL 60439 USA. [Dai, Chencheng] Univ Cambridge, Dept Chem Engn, Cambridge CB2 3RA, England. RP Cole, JM (reprint author), Univ Cambridge, Cavendish Lab, JJ Thomson Ave, Cambridge CB3 0HE, England. EM jmc61@cam.ac.uk RI Cole, Jacqueline/C-5991-2008; OI Zhang, Lei/0000-0001-6873-7314 FU DOE Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; EPSRC UK National Service for Computational Chemistry Software (NSCCS); Cambridge High Performance Computing Cluster (HPC, Darwin) FX J.M.C. thanks the Fulbright Commission for a UK-US Fulbright Scholar Award, hosted by Argonne National Laboratory, where work done was supported by the DOE Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. The authors acknowledge support from the EPSRC UK National Service for Computational Chemistry Software (NSCCS), and the Cambridge High Performance Computing Cluster (HPC, Darwin). NR 91 TC 25 Z9 25 U1 8 U2 79 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD MAY 28 PY 2014 VL 6 IS 10 BP 7535 EP 7546 DI 10.1021/am502186k PG 12 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AI1TZ UT WOS:000336639200068 PM 24786472 ER PT J AU Sohn, H Gordin, ML Xu, T Chen, SR Lv, D Song, JX Manivannan, A Wang, DH AF Sohn, Hiesang Gordin, Mikhail L. Xu, Terrence Chen, Shuru Lv, Dongping Song, Jiangxuan Manivannan, Ayyakkannu Wang, Donghai TI Porous Spherical Carbon/Sulfur Nanocomposites by Aerosol-Assisted Synthesis: The Effect of Pore Structure and Morphology on Their Electrochemical Performance As Lithium/Sulfur Battery Cathodes SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE lithium/sulfur battery; aerosol-assisted process; porous spherical carbon; porosity ID IONIC-LIQUID ELECTROLYTE; LI-S BATTERIES; SULFUR BATTERIES; IMPEDANCE SPECTROSCOPY; CARBON COMPOSITES; CAPACITY; IMPROVEMENT; PARTICLES; POROSITY AB Porous spherical carbons (PSCs) with tunable pore structure (pore volume, pore size, and surface area) were prepared by an aerosol-assisted process. PSC/sulfur composites (PSC/S, S: ca.59 wt %) were then made and characterized as cathodes in lithium/sulfur batteries. The relationships between the electrochemical performance of PSC/S composites and their pore structure and particle morphology were systematically investigated. PSC/S composite cathodes with large pore volume (>2.81 cm(3)/g) and pore size (>5.10 nm) were found to exhibit superior electrochemical performance, likely due to better mass transport in the cathode. In addition, compared with irregularly shaped carbon/sulfur composite, the spherical shaped PSC/S composite showed better performance due to better electrical contact among the particles. C1 [Sohn, Hiesang; Gordin, Mikhail L.; Xu, Terrence; Chen, Shuru; Lv, Dongping; Song, Jiangxuan; Wang, Donghai] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Manivannan, Ayyakkannu] US DOE, NETL, Mat Performance Div, Morgantown, WV 26507 USA. RP Wang, DH (reprint author), Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. EM dwang@psu.edu RI Wang, Donghai/L-1150-2013; Xu, Terrence/M-8741-2014; Chen, Shuru/F-6964-2015; Song, Jiangxuan/G-8536-2015 OI Wang, Donghai/0000-0001-7261-8510; Xu, Terrence/0000-0002-9385-6881; Chen, Shuru/0000-0003-3805-8331; FU Office of Vehicle Technologies of the U.S. Department of Energy [DE-EE0005475] FX The authors acknowledge the financial support from the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy, under Contract No. DE-EE0005475. NR 45 TC 30 Z9 30 U1 4 U2 88 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD MAY 28 PY 2014 VL 6 IS 10 BP 7596 EP 7606 DI 10.1021/am404508t PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AI1TZ UT WOS:000336639200075 PM 24758613 ER PT J AU Zhou, H Nanda, J Martha, SK Unocic, RR Meyer, HM Sahoo, Y Miskiewicz, P Albrecht, TF AF Zhou, Hui Nanda, Jagjit Martha, Surendra K. Unocic, Raymond R. Meyer, Harry M., III Sahoo, Yudhisthira Miskiewicz, Pawel Albrecht, Thomas F. TI Role of Surface Functionality in the Electrochemical Performance of Silicon Nanowire Anodes for Rechargeable Lithium Batteries SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE lithium-ion batteries; silicon; nanowire; anode; surface functionality; electrochemistry ID SOLID-ELECTROLYTE-INTERPHASE; ION BATTERIES; HIGH-CAPACITY; PHOTOELECTRON-SPECTROSCOPY; NANOSTRUCTURED SILICON; SECONDARY BATTERIES; SI; COMPOSITE; STORAGE; CELLS AB We report the synthesis of silicon nanowires using the supercritical-fluid-liquid-solid growth method from two silicon precursors, monophenylsilane and trisilane. The nanowires were synthesized at least on a gram scale at a pilot scale facility, and various surface modification methods were developed to optimize the electrochemical performance. The observed electrochemical performance of the silicon nanowires was clearly dependent on the origination of the surface functional group, either from the residual precursor or from surface modifications. On the basis of detailed electron microscopy, X-ray photoelectron spectroscopy, and confocal Raman spectroscopy studies, we analyzed the surface chemical reactivity of the silicon nanowires with respect to their electrochemical performance in terms of their capacity retention over continuous charge discharge cycles. C1 [Zhou, Hui; Nanda, Jagjit; Martha, Surendra K.; Unocic, Raymond R.; Meyer, Harry M., III] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Sahoo, Yudhisthira; Miskiewicz, Pawel; Albrecht, Thomas F.] EMD Chem, Performance Mat & Adv Technol, Waltham, MA 02451 USA. RP Nanda, J (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM nandaj@ornl.gov; yudhisthira.sahoo@emdmillipore.com OI Unocic, Raymond/0000-0002-1777-8228 FU EMD-Millipore Inc. under the Material Science and Technology Division, Work-for Others (WFO) Program [WF680901]; U.S. Department of Energy [DE-AC05-000R22725]; Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy FX This research was performed at the Oak Ridge National Laboratory (ORNL) and sponsored by EMD-Millipore Inc. under the Material Science and Technology Division, Work-for Others (WFO) Program WF680901, and U.S. Department of Energy Agreement DE-AC05-000R22725. The micro-Raman work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy. EMD Chemicals is an affiliate of Merck KGaA, Germany. NR 47 TC 8 Z9 8 U1 6 U2 60 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD MAY 28 PY 2014 VL 6 IS 10 BP 7607 EP 7614 DI 10.1021/am500855a PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AI1TZ UT WOS:000336639200076 PM 24731257 ER PT J AU Jose, J Lucchese, RR Rescigno, TN AF Jose, J. Lucchese, R. R. Rescigno, T. N. TI Interchannel coupling effects in the valence photoionization of SF6 SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID KOHN VARIATIONAL METHOD; THRESHOLD PHOTOELECTRON-SPECTROSCOPY; RANDOM-PHASE-APPROXIMATION; CROSS-SECTIONS; MOLECULAR PHOTOIONIZATION; ASYMMETRY PARAMETERS; ELECTRON-SCATTERING; SULFUR-HEXAFLUORIDE; ANGULAR-DISTRIBUTIONS; POLYATOMIC-MOLECULES AB The complex Kohn and polyatomic Schwinger variational techniques have been employed to illustrate the interchannel coupling correlation effects in the valence photoionization dynamics of SF6. Partial photoionization cross sections and asymmetry parameters of six valence subshells (1t(1g), 5t(1u), 1t(2u), 3e(g), 1t(2g), 4t(1u)) are discussed in the framework of several theoretical and experimental studies. The complex Kohn results are in rather good agreement with experimental results, indicative of the fact that the interchannel coupling effects alter the photoionization dynamics significantly. We find that the dominant effect of interchannel coupling is to reduce the magnitude of shape resonant cross sections near the threshold and to induce resonant features in other channels to which resonances are coupled. The long-standing issue concerning ordering of the valence orbitals is addressed and confirmed 4t(1u)(6)1t(2g)(6)3e(g)(4)(5t(1u)(6) + 1t(2u)(6)) 1t(1g)(6) as the most likely ordering. (C) 2014 AIP Publishing LLC. C1 [Jose, J.; Lucchese, R. R.] Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA. [Rescigno, T. N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Jose, J (reprint author), Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA. EM lucchese@mail.chem.tamu.edu RI Lucchese, Robert/O-4452-2014 OI Lucchese, Robert/0000-0002-7200-3775 FU Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy; R. A. Welch Foundation (Houston, TX) [A-1020]; US DOE [DE-AC02-05CH11231]; Texas AM University FX We acknowledge the support of the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy and of the R. A. Welch Foundation (Houston, TX) under Grant No. A-1020. Work at LBNL was performed under the auspices of the US DOE under Contract No. DE-AC02-05CH11231. This work was also supported by the Texas A&M University Supercomputing Facility. NR 61 TC 11 Z9 11 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 28 PY 2014 VL 140 IS 20 AR 204305 DI 10.1063/1.4876576 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AI4KA UT WOS:000336832900021 PM 24880278 ER PT J AU Li, B Miller, WH Levy, TJ Rabani, E AF Li, Bin Miller, William H. Levy, Tal J. Rabani, Eran TI Classical mapping for Hubbard operators: Application to the double-Anderson model SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID ELECTRONIC DEGREES; QUANTUM TRANSPORT; CHARGE-TRANSFER; CONDUCTANCE; FORMULATION; EQUATION; FREEDOM; DOT AB A classical Cartesian mapping for Hubbard operators is developed to describe the nonequilibrium transport of an open quantum system with many electrons. The mapping of the Hubbard operators representing the many-body Hamiltonian is derived by using analogies from classical mappings of boson creation and annihilation operators vis-a-vis a coherent state representation. The approach provides qualitative results for a double quantum dot array (double Anderson impurity model) coupled to fermionic leads for a range of bias voltages, Coulomb couplings, and hopping terms. While the width and height of the conduction peaks show deviations from the master equation approach considered to be accurate in the limit of weak system-leads couplings and high temperatures, the Hubbard mapping captures all transport channels involving transition between many electron states, some of which are not captured by approximate nonequilibrium Green function closures. (C) 2014 AIP Publishing LLC. C1 [Li, Bin; Miller, William H.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Li, Bin; Miller, William H.] Univ Calif Berkeley, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. [Li, Bin; Miller, William H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Levy, Tal J.; Rabani, Eran] Tel Aviv Univ, Sch Chem, Sackler Fac Exact Sci, IL-69978 Tel Aviv, Israel. RP Li, B (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. FU National Science Foundation [CHE-1148645]; Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, U.S. Department of Energy [DE-AC02-05CH11231]; Azrieli Foundation FX This work was supported by the National Science Foundation under Grant No. CHE-1148645 and by the Director, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We also acknowledge a generous allocation of supercomputing time from the National Energy Research Scientific Computing Center (NERSC) and the use of the Lawrencium computational cluster resource provided by the IT Division at the Lawrence Berkeley National Laboratory. T.J.L. is grateful to the Azrieli Foundation for the award of an Azrieli Fellowship. NR 69 TC 0 Z9 0 U1 2 U2 17 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 28 PY 2014 VL 140 IS 20 AR 204106 DI 10.1063/1.4878736 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AI4KA UT WOS:000336832900008 PM 24880265 ER PT J AU Lin, PH Lyubimov, I Yu, L Ediger, MD de Pablo, JJ AF Lin, Po-Han Lyubimov, Ivan Yu, Lian Ediger, M. D. de Pablo, Juan J. TI Molecular modeling of vapor-deposited polymer glasses SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID INDOMETHACIN GLASSES; STABLE GLASSES; THIN-FILMS; TRANSITION; DYNAMICS; BEHAVIOR; SURFACE; TEMPERATURE; STABILITY; TOLUENE AB We have investigated the properties of vapor-deposited glasses prepared from short polymer chains using molecular dynamics simulations. Vapor-deposited polymer glasses are found to have higher density and higher kinetic stability than ordinary glasses prepared by gradual cooling of the corresponding equilibrium liquid. In contrast to results for binary Lennard-Jones glasses, the deposition rate is found to play an important role in the stability of polymer vapor-deposited glasses. Glasses deposited at the slowest deposition rate and at the optimal substrate temperature are found to correspond to the ordinary glasses that one could hypothetically prepare by cooling the liquid at rates that are 4-5 orders of magnitude slower than those accessible in the current simulations. For intermediate-length polymer chains, the resulting vapor-deposited glasses are found to be highly anisotropic. For short chains, however, the glasses are isotropic, showing that structural anisotropy is not a necessary condition for formation of stable glasses by physical vapor deposition. (C) 2014 AIP Publishing LLC. C1 [Lin, Po-Han; Lyubimov, Ivan; de Pablo, Juan J.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [Yu, Lian] Univ Wisconsin, Sch Pharm, Madison, WI 53705 USA. [Yu, Lian; Ediger, M. D.] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. [de Pablo, Juan J.] Argonne Natl Lab, Argonne, IL 60439 USA. RP de Pablo, JJ (reprint author), Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. EM depablo@uchicago.edu FU National Science Foundation [DMREF 1234320] FX Financial support received from National Science Foundation for this work is gratefully acknowledged (DMREF 1234320). NR 47 TC 11 Z9 11 U1 4 U2 62 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 28 PY 2014 VL 140 IS 20 AR 204504 DI 10.1063/1.4876078 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AI4KA UT WOS:000336832900041 PM 24880298 ER PT J AU Medasani, B Ovanesyan, Z Thomas, DG Sushko, ML Marucho, M AF Medasani, Bharat Ovanesyan, Zaven Thomas, Dennis G. Sushko, Maria L. Marucho, Marcelo TI Ionic asymmetry and solvent excluded volume effects on spherical electric double layers: A density functional approach SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; FUNDAMENTAL-MEASURE-THEORY; EQUATION-OF-STATE; POISSON-BOLTZMANN; CHARGE INVERSION; BIOLOGICAL-SYSTEMS; MONTE-CARLO; ELECTROLYTES; FLUIDS; MODEL AB In this article, we present a classical density functional theory for electrical double layers of spherical macroions that extends the capabilities of conventional approaches by accounting for electrostatic ion correlations, size asymmetry, and excluded volume effects. The approach is based on a recent approximation introduced by Hansen-Goos and Roth for the hard sphere excess free energy of inhomogeneous fluids [J. Chem. Phys. 124, 154506 (2006); J. Phys.: Condens. Matter 18, 8413 (2006)]. It accounts for the proper and efficient description of the effects of ionic asymmetry and solvent excluded volume, especially at high ion concentrations and size asymmetry ratios including those observed in experimental studies. Additionally, we utilize a leading functional Taylor expansion approximation of the ion density profiles. In addition, we use the mean spherical approximation for multi-component charged hard sphere fluids to account for the electrostatic ion correlation effects. These approximations are implemented in our theoretical formulation into a suitable decomposition of the excess free energy which plays a key role in capturing the complex interplay between charge correlations and excluded volume effects. We perform Monte Carlo simulations in various scenarios to validate the proposed approach, obtaining a good compromise between accuracy and computational cost. We use the proposed computational approach to study the effects of ion size, ion size asymmetry, and solvent excluded volume on the ion profiles, integrated charge, mean electrostatic potential, and ionic coordination number around spherical macroions in various electrolyte mixtures. Our results show that both solvent hard sphere diameter and density play a dominant role in the distribution of ions around spherical macroions, mainly for experimental water molarity and size values where the counterion distribution is characterized by a tight binding to the macroion, similar to that predicted by the Stern model. (C) 2014 AIP Publishing LLC. C1 [Medasani, Bharat; Ovanesyan, Zaven; Marucho, Marcelo] Univ Texas San Antonio, Dept Phys & Astron, San Antonio, TX 78249 USA. [Medasani, Bharat] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94700 USA. [Thomas, Dennis G.; Sushko, Maria L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Medasani, B (reprint author), Univ Texas San Antonio, Dept Phys & Astron, San Antonio, TX 78249 USA. EM marcelo.marucho@utsa.edu RI Sushko, Maria/C-8285-2014; Medasani, Bharat/G-7535-2015 OI Sushko, Maria/0000-0002-7229-7072; Medasani, Bharat/0000-0002-2073-4162 FU NSF-PREM [DMR-0934218]; NIH [5R01GM099450-02] FX Marcelo Marucho would like to acknowledge support from NSF-PREM Grant No. DMR-0934218 and Dennis G. Thomas would like to acknowledge the financial support for the GCMC work from NIH Grant No. 5R01GM099450-02. The authors would like to thank Nathan Baker, Pacific Northwest National Lab, for his feedback during manuscript preparation. NR 70 TC 13 Z9 13 U1 3 U2 22 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 28 PY 2014 VL 140 IS 20 AR 204510 DI 10.1063/1.4876002 PG 17 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AI4KA UT WOS:000336832900047 PM 24880304 ER PT J AU Petrik, NG Monckton, RJ Koehler, SPK Kimmel, GA AF Petrik, Nikolay G. Monckton, Rhiannon J. Koehler, Sven P. K. Kimmel, Greg A. TI Electron-stimulated reactions in layered CO/H2O films: Hydrogen atom diffusion and the sequential hydrogenation of CO to methanol SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID AMORPHOUS SOLID WATER; OUTER SOLAR-SYSTEM; MOLECULAR-HYDROGEN; H2O-CO ICE; CARBON-MONOXIDE; CHEMICAL EVOLUTION; INTERSTELLAR ICES; INFRARED-SPECTRUM; SURFACE PROCESSES; D2O ICE AB Low-energy (100 eV) electron-stimulated reactions in layered H2O/CO/H2O ices are investigated. For CO layers buried in amorphous solid water (ASW) films at depths of 50 monolayers (ML) or less from the vacuum interface, both oxidation and reduction reactions are observed. However, for CO buried more deeply in ASW films, only the reduction of CO to methanol is observed. Experiments with layered films of H2O and D2O show that the hydrogen atoms participating in the reduction of the buried CO originate in the region that is 10-50 ML below the surface of the ASW films and subsequently diffuse through the film. For deeply buried CO layers, the CO reduction reactions quickly increase with temperature above similar to 60 K. We present a simple chemical kinetic model that treats the diffusion of hydrogen atoms in the ASW and sequential hydrogenation of the CO to methanol to account for the observations. (C) 2014 AIP Publishing LLC. C1 [Petrik, Nikolay G.; Kimmel, Greg A.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. [Monckton, Rhiannon J.; Koehler, Sven P. K.] Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England. [Monckton, Rhiannon J.; Koehler, Sven P. K.] Univ Manchester, Photon Sci Inst, Manchester M13 9PL, Lancs, England. [Monckton, Rhiannon J.; Koehler, Sven P. K.] Univ Manchester, UK Dalton Cumbrian Facil, Moor Row CA24 3HA, Whitehaven, England. RP Kimmel, GA (reprint author), Pacific NW Natl Lab, Div Phys Sci, MSIN K8-88,POB 999, Richland, WA 99352 USA. EM gregory.kimmel@pnnl.gov RI Petrik, Nikolay/G-3267-2015; Koehler, Sven/P-6450-2016; OI Petrik, Nikolay/0000-0001-7129-0752; Koehler, Sven/0000-0002-6303-6524; Kimmel, Greg/0000-0003-4447-2440 FU US Department of Energy (USDOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences; Dalton Cumbrian Facility program - Nuclear Decommissioning Authority; Department of Energy's Office of Biological and Environmental Research; DOE [DE-AC05-76RL01830] FX N.G.P. and G. A. K. were supported by the US Department of Energy (USDOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. R.J.M. and S. P. K. K. were supported by the Dalton Cumbrian Facility program in part funded by the Nuclear Decommissioning Authority. The 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 (PNNL). PNNL is a multiprogram national laboratory operated for DOE by Battelle under Contract No. DE-AC05-76RL01830. NR 77 TC 10 Z9 10 U1 3 U2 33 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 28 PY 2014 VL 140 IS 20 AR 204710 DI 10.1063/1.4878658 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AI4KA UT WOS:000336832900057 PM 24880314 ER PT J AU Schmidt, MW Ivanic, J Ruedenberg, K AF Schmidt, Michael W. Ivanic, Joseph Ruedenberg, Klaus TI Covalent bonds are created by the drive of electron waves to lower their kinetic energy through expansion SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID CHEMICAL-BOND; MOLECULAR-STRUCTURE; PHYSICAL NATURE; CHEMISTRY; BINDING; HYDROGEN; FORCES; VIRIAL; STATE AB An analysis based on the variation principle shows that in the molecules H-2(+), H-2, B-2, C-2, N-2, O-2, F-2, covalent bonding is driven by the attenuation of the kinetic energy that results from the delocalization of the electronic wave function. For molecular geometries around the equilibrium distance, two features of the wave function contribute to this delocalization: (i) Superposition of atomic orbitals extends the electronic wave function from one atom to two or more atoms; (ii) intra-atomic contraction of the atomic orbitals further increases the inter-atomic delocalization. The inter-atomic kinetic energy lowering that (perhaps counter-intuitively) is a consequence of the intra-atomic contractions drives these contractions (which per se would increase the energy). Since the contractions necessarily encompass both, the intra-atomic kinetic and potential energy changes (which add to a positive total), the fact that the intra-atomic potential energy change renders the total potential binding energy negative does not alter the fact that it is the kinetic delocalization energy that drives the bond formation. (C) 2014 AIP Publishing LLC. C1 [Schmidt, Michael W.; Ruedenberg, Klaus] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Schmidt, Michael W.; Ruedenberg, Klaus] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Ivanic, Joseph] Leidos Biomedical Res Inc, Adv Biomed Comp Ctr, Informat Syst Program, Frederick Natl Lab Canc Res, Ft Detrick, MD 21702 USA. RP Ruedenberg, K (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM ruedenberg@iastate.edu FU National Science Foundation (NSF) [CHE-1147446]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences through the Ames Laboratory at Iowa State University [DE-AC02-07CH11358]; National Cancer Institute, National Institutes of Health [HHSN 261200800001E] FX This work was supported by the National Science Foundation (NSF) under Grant No. CHE-1147446 to Iowa State University. In part, the work was also supported (for K. R.) by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences through the Ames Laboratory at Iowa State University under Contract No. DE-AC02-07CH11358. The work was also supported in part with federal funds from the National Cancer Institute, National Institutes of Health, under Contract No. HHSN 261200800001E (for J.I.). The content of this publication does not necessarily reflect the views or policies of the Department of Health and Human Services. NR 59 TC 13 Z9 13 U1 2 U2 24 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD MAY 28 PY 2014 VL 140 IS 20 AR 204104 DI 10.1063/1.4875735 PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AI4KA UT WOS:000336832900006 PM 24880263 ER PT J AU Wu, HM Wang, ZW Fan, HY AF Wu, Huimeng Wang, Zhongwu Fan, Hongyou TI Stress-Induced Nanoparticle Crystallization SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID PHASE-TRANSFORMATION; GOLD; SUPERLATTICE; ARRAYS; NANOCRYSTALS; TRANSITION; CLUSTERS AB We demonstrate for the first time a new mechanical annealing method that can significantly improve the structural quality of self-assembled nanoparticle arrays by eliminating defects at room temperature. Using in situ high-pressure small-angle X-ray scattering, we show that deformation of nanoparticle assembly in the presence of gigapascal level stress rebalances interparticle forces within nanoparticle arrays and transforms the nanoparticle film from an amorphous assembly with defects into a quasi-single crystalline superstructure. Our results show that the existence of the hydrostatic pressure field makes the transformation both thermodynamically and kinetically possible/favorable, thus providing new insight for nanoparticle self-assembly and integration with enhanced mechanical performance. C1 [Wu, Huimeng; Fan, Hongyou] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. [Wang, Zhongwu] Cornell Univ, Wilson Lab, Cornell High Energy Synchrotron Source, Ithaca, NY 14853 USA. [Fan, Hongyou] Univ New Mexico, Dept Chem & Nucl Engn, NSF Ctr Microengineered Mat, Albuquerque, NM 87131 USA. RP Fan, HY (reprint author), Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. EM hfan@sandia.gov FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; NSF; NIH/NIGMS via NSF [DMR-0225180]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Ju Li and Wenbin Li for very helpful discussions. This work is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. CHESS is supported by the NSF and NIH/NIGMS via NSF award DMR-0225180. Sandia is a multiprogram 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 21 TC 14 Z9 14 U1 13 U2 69 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 28 PY 2014 VL 136 IS 21 BP 7634 EP 7636 DI 10.1021/ja503320s PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA AI1SR UT WOS:000336635400028 PM 24829089 ER PT J AU Zhang, S Zhang, X Jiang, GM Zhu, HY Guo, SJ Su, D Lu, G Sun, SH AF Zhang, Sen Zhang, Xu Jiang, Guangming Zhu, Huiyuan Guo, Shaojun Su, Dong Lu, Gang Sun, Shouheng TI Tuning Nanoparticle Structure and Surface Strain for Catalysis Optimization SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID OXYGEN REDUCTION REACTION; ALLOY NANOPARTICLES; MAGNETIC-PROPERTIES; FEPT NANOPARTICLES; FORMIC-ACID; ELECTROCATALYSTS; CORE; PD; CU; ELECTROOXIDATION AB Controlling nanoparticle (NP) surface strain, i.e. compression (or stretch) of surface atoms, is an important approach to tune NP surface chemistry and to optimize NP catalysis for chemical reactions. Here we show that surface Pt strain in the core/shell FePt/Pt NPs with Pt in three atomic layers can be rationally tuned via core structural transition from cubic solid solution [denoted as face centered cubic (fcc)] structure to tetragonal intermetallic [denoted as face centered tetragonal (fct)] structure. The high activity observed from the fct-FePt/Pt NPs for oxygen reduction reaction (ORR) is due to the release of the overcompressed Pt strain by the fct-FePt as suggested by quantum mechanics-molecular mechanics (QM-MM) simulations. The Pt strain effect on ORR can be further optimized when Fe in FePt is partially replaced by Cu. As a result, the fct-FeCuPt/Pt NPs become the most efficient catalyst for ORR and are nearly 10 times more active in specific activity than the commercial Pt catalyst. This structure-induced surface strain control opens up a new path to tune and optimize NP catalysis for ORR and many other chemical reactions. C1 [Zhang, Sen; Jiang, Guangming; Zhu, Huiyuan; Guo, Shaojun; Sun, Shouheng] Brown Univ, Dept Chem, Providence, RI 02912 USA. [Zhang, Xu; Lu, Gang] Calif State Univ Northridge, Dept Phys & Astron, Northridge, CA 91330 USA. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Sun, SH (reprint author), Brown Univ, Dept Chem, Providence, RI 02912 USA. EM ssun@brown.edu RI Guo, Shaojun/A-8449-2011; Zhang, Sen/E-4226-2015; Su, Dong/A-8233-2013 OI Guo, Shaojun/0000-0002-5941-414X; Su, Dong/0000-0002-1921-6683 FU U.S. Army Research Laboratory; U.S. Army Research Office under the Multi University Research Initiative (MURI) [W911NF-11-1-0353]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work was supported by the U.S. Army Research Laboratory and the U.S. Army Research Office under the Multi University Research Initiative (MURI, grant number W911NF-11-1-0353) on "Stress-Controlled Catalysis via Engineered Nanostructures". Electron microscopy 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 No. DE-AC02-98CH10886. NR 49 TC 87 Z9 88 U1 53 U2 345 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 28 PY 2014 VL 136 IS 21 BP 7734 EP 7739 DI 10.1021/ja5030172 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA AI1SR UT WOS:000336635400040 PM 24803093 ER PT J AU Chi, H Kim, H Thomas, JC Shi, GS Sun, K Abeykoon, M Bozin, ES Shi, XY Li, Q Shi, X Kioupakis, E Van der Ven, A Kaviany, M Uher, C AF Chi, Hang Kim, Hyoungchul Thomas, John C. Shi, Guangsha Sun, Kai Abeykoon, Milinda Bozin, Emil S. Shi, Xiaoya Li, Qiang Shi, Xun Kioupakis, Emmanouil Van der Ven, Anton Kaviany, Massoud Uher, Ctirad TI Low-temperature structural and transport anomalies in Cu2Se SO PHYSICAL REVIEW B LA English DT Article ID AUGMENTED-WAVE METHOD; THERMOELECTRIC PERFORMANCE; PHASE-TRANSITIONS; CU2-XSE; MAGNETORESISTANCE; CHALCOGENIDES; SYSTEM AB Through systematic examination of symmetrically nonequivalent configurations, first-principles calculations have identified a new ground state of Cu2Se, which is constructed by repeating sextuple layers of Se-Cu-Cu-Cu-Cu- Se. The layered nature is in accord with electron and x-ray diffraction studies at and below room temperature and also is consistent with transport properties. Magnetoresistance measurements at liquid helium temperatures exhibit cusp-shaped field dependence at low fields and evolve into quasilinear field dependence at intermediate and high fields. These results reveal the existence of weak antilocalization effect, which has been analyzed using a modified Hikami, Larkin, and Nagaoka model, including a quantum interference term and a classical quadratic contribution. Fitting parameters suggest a quantum coherence length L of 175 nm at 1.8 K. With increasing temperature, the classical parabolic behavior becomes more dominant, and L decreases as a power law of T-0.83. C1 [Chi, Hang; Uher, Ctirad] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Kim, Hyoungchul; Kaviany, Massoud] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. [Thomas, John C.; Shi, Guangsha; Sun, Kai; Kioupakis, Emmanouil; Van der Ven, Anton] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. [Abeykoon, Milinda; Bozin, Emil S.; Shi, Xiaoya; Li, Qiang] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Shi, Xun] Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 200050, Peoples R China. [Van der Ven, Anton] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Kim, Hyoungchul] Korea Inst Sci & Technol, High Temp Energy Mat Res Ctr, Seoul 136791, South Korea. RP Uher, C (reprint author), Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. EM cuher@umich.edu RI shi, xun/B-4499-2009; Thomas, John/A-2764-2009; Kioupakis, Emmanouil/L-4504-2013; Chi, Hang/F-1537-2011; OI shi, xun/0000-0002-3806-0303; Thomas, John/0000-0002-3162-0152; Chi, Hang/0000-0002-1299-1150; Kioupakis, Emmanouil/0000-0003-1880-6443 FU Center for Solar and Thermal Energy Conversion, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC-0000957]; National Science Foundation [DMR-9871177]; DOE, Office of Science, Division of Materials Science [DE-AC02-98CH10886]; National Natural Science Foundation of China (NSFC) [51121064, 51222209] FX This work was supported as part of the Center for Solar and Thermal Energy Conversion, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award No. DE-SC-0000957. The JEOL 2010F TEM was funded by the National Science Foundation (Grant No. DMR-9871177) and operated by the Electron Microbeam Analysis Laboratory at the University of Michigan. Work at Brookhaven National Laboratory was supported by the DOE, Office of Science, Division of Materials Science (Contract No. DE-AC02-98CH10886). Work at the Shanghai Institute of Ceramics was supported by the National Natural Science Foundation of China (NSFC) (Award No. 51121064 and 51222209). NR 35 TC 15 Z9 15 U1 9 U2 131 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 28 PY 2014 VL 89 IS 19 AR 195209 DI 10.1103/PhysRevB.89.195209 PG 5 WC Physics, Condensed Matter SC Physics GA AI3IS UT WOS:000336755200004 ER PT J AU Ideta, S Yoshida, T Nakajima, M Malaeb, W Kito, H Eisaki, H Iyo, A Tomioka, Y Ito, T Kihou, K Lee, CH Kotani, Y Ono, K Mo, SK Hussain, Z Shen, ZX Harima, H Uchida, S Fujimori, A AF Ideta, S. Yoshida, T. Nakajima, M. Malaeb, W. Kito, H. Eisaki, H. Iyo, A. Tomioka, Y. Ito, T. Kihou, K. Lee, C. H. Kotani, Y. Ono, K. Mo, S. K. Hussain, Z. Shen, Z. -X. Harima, H. Uchida, S. Fujimori, A. TI Electronic structure of BaNi2P2 observed by angle-resolved photoemission spectroscopy SO PHYSICAL REVIEW B LA English DT Article AB We have performed an angle-resolved photoemission spectroscopy (ARPES) study of BaNi2P2 that shows a superconducting transition at T-c similar to 2.5 K. We observed hole and electron Fermi surfaces (FSs) around the Brillouin zone center and corner, respectively, and the shapes of the hole FSs dramatically changed with photon energy, indicating strong three dimensionality. The observed FSs are consistent with band-structure calculations and de Haas-van Alphen measurements. The mass enhancement factors estimated in the normal state were m*/m(b) <= 2, indicating weak electron correlation compared to typical iron-pnictide superconductors. An electronlike Fermi surface around the Z point was observed in contrast with BaNi2As2 and may be related to the higher T-c of BaNi2P2. C1 [Ideta, S.; Yoshida, T.; Nakajima, M.; Uchida, S.; Fujimori, A.] Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. [Nakajima, M.; Kito, H.; Eisaki, H.; Iyo, A.; Tomioka, Y.; Ito, T.; Kihou, K.; Lee, C. H.] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058568, Japan. [Nakajima, M.; Kito, H.; Eisaki, H.; Iyo, A.; Tomioka, Y.; Ito, T.; Kihou, K.; Lee, C. H.; Harima, H.; Uchida, S.; Fujimori, A.] JST, Transformat Res Project Iron Pnictides TRIP, Chiyoda Ku, Tokyo 1020075, Japan. [Malaeb, W.] Univ Tokyo, Inst Solid State Phys, Kashiwa, Chiba 2778581, Japan. [Kotani, Y.; Ono, K.] KEK, Inst Mat Struct Sci, Photon Factory, Tsukuba, Ibaraki 3050801, Japan. [Mo, S. K.; Hussain, Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Shen, Z. -X.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Shen, Z. -X.] Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA. [Harima, H.] Kobe Univ, Grad Sch Sci, Dept Phys, Kobe, Hyogo 6578501, Japan. RP Ideta, S (reprint author), Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. RI Nakajima, Masamichi/D-5176-2013; Mo, Sung-Kwan/F-3489-2013 OI Mo, Sung-Kwan/0000-0003-0711-8514 FU JSPS; MEXT, Japan; Japan Society for the Promotion of Science for Young Scientists FX The authors acknowledge S. Ishida for informative discussions. ARPES experiments were carried out at KEK-PF (Proposal No. 2009S2-005) and ALS (Proposal No. ALS-05054). This work was supported by an A3 Foresight Program from JSPS and, a Grant-in-Aid for Scientific Research on Innovative Area "Materials Design through Computics: Complex Correlation and Non-Equilibrium Dynamics," MEXT, Japan. SI acknowledges support from the Japan Society for the Promotion of Science for Young Scientists. NR 19 TC 5 Z9 5 U1 2 U2 36 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 28 PY 2014 VL 89 IS 19 AR 195138 DI 10.1103/PhysRevB.89.195138 PG 5 WC Physics, Condensed Matter SC Physics GA AI3IS UT WOS:000336755200003 ER PT J AU Xu, ZJ Wen, JS Schneeloch, J Christianson, AD Birgeneau, RJ Gu, G Tranquada, JM Xu, GY AF Xu, Zhijun Wen, Jinsheng Schneeloch, J. Christianson, A. D. Birgeneau, R. J. Gu, Genda Tranquada, J. M. Xu, Guangyong TI Low-energy magnetic excitations from the Fe1+y-z(Ni/Cu)(z)Te1-xSex system SO PHYSICAL REVIEW B LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTIVITY; INELASTIC-NEUTRON-SCATTERING; SPIN EXCITATIONS; BI2SR2CACU2O8+DELTA; DYNAMICS; STATE AB We report neutron scattering measurements on low-energy ((h) over bar omega similar to 5 meV) magnetic excitations from a series of Fe1+y-z(Ni/Cu)(z)Te1-xSex samples which belong to the "11" Fe-chalcogenide family. Our results suggest a strong correlation between the magnetic excitations near (0.5,0.5,0) and the superconducting properties of the system. The low-energy magnetic excitations are found to gradually move away from (0.5,0.5,0) to incommensurate positions when superconductivity is suppressed, either by heating or chemical doping, confirming previous observations. C1 [Xu, Zhijun; Schneeloch, J.; Gu, Genda; Tranquada, J. M.; Xu, Guangyong] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Xu, Zhijun; Wen, Jinsheng; Birgeneau, R. J.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Xu, Zhijun; Wen, Jinsheng; Birgeneau, R. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Wen, Jinsheng] Nanjing Univ, Ctr Superconducting Phys & Mat, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China. [Wen, Jinsheng] Nanjing Univ, Dept Phys, Nanjing 210093, Jiangsu, Peoples R China. [Schneeloch, J.] SUNY Stony Brook, Dept Phys, Stony Brook, NY 11794 USA. [Christianson, A. D.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RP Xu, ZJ (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RI xu, zhijun/A-3264-2013; Tranquada, John/A-9832-2009; Wen, Jinsheng/F-4209-2010; christianson, andrew/A-3277-2016; Xu, Guangyong/A-8707-2010 OI Schneeloch, John/0000-0002-3577-9574; xu, zhijun/0000-0001-7486-2015; Tranquada, John/0000-0003-4984-8857; Wen, Jinsheng/0000-0001-5864-1466; christianson, andrew/0000-0003-3369-5884; Xu, Guangyong/0000-0003-1441-8275 FU Office of Basic Energy Sciences (BES), Division of Materials Science and Engineering, U.S. Department of Energy (DOE) [DE-AC02-98CH10886, DE-AC02-05CH1123]; Division of Scientific User Facilities, BES, DOE FX The work at Brookhaven National Laboratory and Lawrence Berkeley National Laboratory was supported by the Office of Basic Energy Sciences (BES), Division of Materials Science and Engineering, U.S. Department of Energy (DOE), under Contract Nos. DE-AC02-98CH10886 and DE-AC02-05CH1123, respectively. Research at Oak Ridge National Laboratory's High Flux Isotope Reactor was sponsored by the Division of Scientific User Facilities, BES, DOE. NR 45 TC 6 Z9 6 U1 0 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 28 PY 2014 VL 89 IS 17 AR 174517 DI 10.1103/PhysRevB.89.174517 PG 5 WC Physics, Condensed Matter SC Physics GA AI3HU UT WOS:000336752500006 ER PT J AU Batchelder, JC Brewer, NT Gross, CJ Grzywacz, R Hamilton, JH Karny, M Fijalkowska, A Liu, SH Miernik, K Padgett, SW Paulaskas, SV Rykaczewski, KP Ramayya, AV Stracener, DW Wolinska-Cichocka, M AF Batchelder, J. C. Brewer, N. T. Gross, C. J. Grzywacz, R. Hamilton, J. H. Karny, M. Fijalkowska, A. Liu, S. H. Miernik, K. Padgett, S. W. Paulaskas, S. V. Rykaczewski, K. P. Ramayya, A. V. Stracener, D. W. Wolinska-Cichocka, M. TI Structure of low-lying states in Cd-124,Cd-126 populated by beta decay of Ag-124,Ag-126 SO PHYSICAL REVIEW C LA English DT Article ID SHELL-MODEL DESCRIPTION; INTRUDER STATES; CD-ISOTOPES; NUCLEI; SPECTROSCOPY; COEXISTENCE AB The beta decay of Ag-124,Ag-126 low- and high-spin isomers into levels in Cd-124,Cd-126 was investigated. We have greatly expanded the decay schemes in these nuclei including the identification of the 0(2)(+) and 0(3)(+) states among 63 new levels in Cd-124 and the identification of the 2(2)(+) state among 30 new levels in Cd-126. Several states were identified in Cd-124, which based on energy are possible multiphonon states. Based on the decay of these states, we show that states in Cd-124 behave similar to lighter Cd isotopes despite the higher intruder state energies. Our Cd-124 data support the conclusion that the neutron-rich Cd nuclei are not described well by an anharmonic vibrator interpretation. C1 [Batchelder, J. C.; Liu, S. H.] UNIRIB Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA. [Brewer, N. T.; Hamilton, J. H.; Ramayya, A. V.] Vanderbilt Univ, Nashville, TN 37235 USA. [Gross, C. J.; Grzywacz, R.; Karny, M.; Miernik, K.; Rykaczewski, K. P.; Stracener, D. W.; Wolinska-Cichocka, M.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37931 USA. [Grzywacz, R.; Fijalkowska, A.; Padgett, S. W.; Paulaskas, S. V.] Univ Tennessee, Knoxville, TN 37996 USA. [Karny, M.; Fijalkowska, A.; Miernik, K.] Univ Warsaw, Fac Phys, PL-00681 Warsaw, Poland. [Wolinska-Cichocka, M.] Univ Warsaw, Heavy Ion Lab, PL-02093 Warsaw, Poland. RP Batchelder, JC (reprint author), UNIRIB Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA. FU U.S. Department of Energy, Office of Nuclear Physics [DE-AC05-76OR00033, DOE-AC05-00OR22725, DE-FG05-88ER40407, DE-FG02-96ER40983] FX The authors thank the HRIBF operations staff for providing the excellent quality radioactive ion beams necessary for this work. This work has been supported by the U.S. Department of Energy, Office of Nuclear Physics, under Contracts No. DE-AC05-76OR00033 (UNIRIB), No. DOE-AC05-00OR22725 (ORNL), No. DE-FG05-88ER40407 (Vanderbilt University), and No. DE-FG02-96ER40983 (University of Tennessee). NR 38 TC 3 Z9 3 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 EI 1089-490X J9 PHYS REV C JI Phys. Rev. C PD MAY 28 PY 2014 VL 89 IS 5 AR 054321 DI 10.1103/PhysRevC.89.054321 PG 13 WC Physics, Nuclear SC Physics GA AI3JU UT WOS:000336758100001 ER PT J AU Aartsen, MG Abbasi, R Abdou, Y Ackermann, M Adams, J Aguilar, JA Ahlers, M Altmann, D Auffenberg, J Bai, X Baker, M Barwick, SW Baum, V Bay, R Beatty, JJ Bechet, S Tjus, JB Becker, KH Bell, M Benabderrahmane, ML BenZvi, S Berdermann, J Berghaus, P Berley, D Bernardini, E Bernhard, A Bertrand, D Besson, DZ Binder, G Bindig, D Bissok, M Blaufuss, E Blumenthal, J Boersma, DJ Bohaichuk, S Bohm, C Bose, D Boser, S Botner, O Brayeur, L 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 De Clercq, C De Ridder, S Desiati, P de With, M DeYoung, T Diaz-Velez, JC Dunkman, M Eagan, R Eberhardt, B Eisch, J Ellsworth, RW Euler, S Evenson, PA Fadiran, O Fazely, AR Fedynitch, A Feintzeig, J Feusels, T Filimonov, K Finley, C Fischer-Wasels, T Flis, S Franckowiak, A Franke, R Frantzen, K Fuchs, T Gaisser, TK Gallagher, J Gerhardt, L Gladstone, L Glusenkamp, T Goldschmidt, A Golup, G 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 Kislat, F 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 Madsen, J Maruyama, R Mase, K Matis, HS McNally, F Meagher, K Merck, M Meszaros, P Meures, T Miarecki, S Middell, E Milke, N Miller, J Mohrmann, L Montaruli, T Morse, R Nahnhauer, R Naumann, U Niederhausen, H Nowicki, SC Nygren, DR Obertacke, A Odrowski, S Olivas, A Olivo, M O'Murchadha, A Paul, L Pepper, JA de los Heros, CP Pfendner, C Pieloth, D Pinat, E Pirk, N 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 Scheel, M Scheriau, F Schmidt, T Schmitz, M Schoenen, S Schoneberg, S Schonwald, A Schukraft, A Schulte, L Schulz, O Seckel, D Sestayo, Y Seunarine, S 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 Usner, M van der Drift, D van Eijndhoven, N Van Overloop, A van Santen, J Vehring, M Voge, M Vraeghe, M Walck, C Waldenmaier, T Wallraff, M Wasserman, R Weaver, C Wellons, M Wendt, C Westerhoff, S Whitehorn, N Wiebe, K Wiebusch, CH Williams, DR Wissing, H Wolf, M Wood, TR Woschnagg, K Xu, C Xu, DL Xu, XW Yanez, JP Yodh, G Yoshida, S Zarzhitsky, P Ziemann, J Zierke, S Zoll, M AF Aartsen, M. G. Abbasi, R. Abdou, Y. Ackermann, M. Adams, J. Aguilar, J. A. Ahlers, M. Altmann, D. Auffenberg, J. Bai, X. Baker, M. Barwick, S. W. Baum, V. Bay, R. Beatty, J. J. Bechet, S. Tjus, J. Becker Becker, K. -H. Bell, M. Benabderrahmane, M. L. BenZvi, S. Berdermann, J. Berghaus, P. Berley, D. Bernardini, E. Bernhard, A. Bertrand, D. Besson, D. Z. Binder, G. Bindig, D. Bissok, M. Blaufuss, E. Blumenthal, J. Boersma, D. J. Bohaichuk, S. Bohm, C. Bose, D. Boeser, S. Botner, O. Brayeur, L. 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. De Clercq, C. De Ridder, S. Desiati, P. de With, M. DeYoung, T. Diaz-Velez, J. C. Dunkman, M. Eagan, R. Eberhardt, B. Eisch, J. Ellsworth, R. W. Euler, S. Evenson, P. A. Fadiran, O. Fazely, A. R. Fedynitch, A. Feintzeig, J. Feusels, T. Filimonov, K. Finley, C. Fischer-Wasels, T. Flis, S. Franckowiak, A. Franke, R. Frantzen, K. Fuchs, T. Gaisser, T. K. Gallagher, J. Gerhardt, L. Gladstone, L. Gluesenkamp, T. Goldschmidt, A. Golup, G. 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. Kislat, F. Klaes, J. Klein, S. R. Koehne, J. -H. Kohnen, G. Kolanoski, H. Koepke, L. Kopper, C. Kopper, S. Koskinen, D. J. Kowalski, M. Krasberg, M. 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. Madsen, J. Maruyama, R. Mase, K. Matis, H. S. McNally, F. Meagher, K. Merck, M. Meszaros, P. Meures, T. Miarecki, S. Middell, E. Milke, N. Miller, J. Mohrmann, L. Montaruli, T. Morse, R. Nahnhauer, R. Naumann, U. Niederhausen, H. Nowicki, S. C. Nygren, D. R. Obertacke, A. Odrowski, S. Olivas, A. Olivo, M. O'Murchadha, A. Paul, L. Pepper, J. A. Heros, C. Perez de los Pfendner, C. Pieloth, D. Pinat, E. Pirk, N. 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. Scheel, M. Scheriau, F. Schmidt, T. Schmitz, M. Schoenen, S. Schoeneberg, S. Schoenwald, A. Schukraft, A. Schulte, L. Schulz, O. Seckel, D. Sestayo, Y. Seunarine, S. 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. Stroem, R. Sullivan, G. W. Taavola, H. Taboada, I. Tamburro, A. Tepe, A. Ter-Antonyan, S. Tesic, G. Tilav, S. Toale, P. A. Toscano, S. Usner, M. van der Drift, D. van Eijndhoven, N. Van Overloop, A. van Santen, J. Vehring, M. Voge, M. Vraeghe, M. Walck, C. Waldenmaier, T. Wallraff, M. Wasserman, R. Weaver, Ch. Wellons, M. Wendt, C. Westerhoff, S. Whitehorn, N. Wiebe, K. Wiebusch, C. H. Williams, D. R. Wissing, H. Wolf, M. Wood, T. R. Woschnagg, K. Xu, C. Xu, D. L. Xu, X. W. Yanez, J. P. Yodh, G. Yoshida, S. Zarzhitsky, P. Ziemann, J. Zierke, S. Zoll, M. TI Observation of the cosmic-ray shadow of the Moon with IceCube SO PHYSICAL REVIEW D LA English DT Article ID ARRIVAL DIRECTIONS; NEUTRINO TELESCOPES; ANGULAR RESOLUTION; ANISOTROPY; DETECTOR; SEARCH; SUN AB We report on the observation of a significant deficit of cosmic rays from the direction of the Moon with the IceCube detector. The study of this "Moon shadow" is used to characterize the angular resolution and absolute pointing capabilities of the detector. The detection is based on data taken in two periods before the completion of the detector: between April 2008 and May 2009, when IceCube operated in a partial configuration with 40 detector strings deployed in the South Pole ice, and between May 2009 and May 2010 when the detector operated with 59 strings. Using two independent analysis methods, the Moon shadow has been observed to high significance (> 6 sigma) in both detector configurations. The observed location of the shadow center is within 0.2 degrees of its expected position when geomagnetic deflection effects are taken into account. This measurement validates the directional reconstruction capabilities of IceCube. 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.; Scheel, M.; 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.; van der Drift, D.; 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.; van der Drift, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Altmann, D.; de With, M.; Kappes, A.; Kolanoski, H.; Waldenmaier, T.] Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. [Tjus, J. Becker; Fedynitch, A.; Olivo, M.; Saba, S. M.; Schoeneberg, S.] Ruhr Univ Bochum, Fak Phys & Astron, D-44780 Bochum, Germany. [Boeser, S.; Franckowiak, A.; Homeier, A.; Kowalski, M.; Schulte, L.; Stasik, A.; Usner, M.; Voge, M.] Univ Bonn, Inst Phys, D-53115 Bonn, Germany. [Bechet, S.; Bertrand, D.; Hanson, K.; Heereman, D.; Meures, T.; O'Murchadha, A.; Pinat, E.] Univ Libre Bruxelles, Fac Sci CP230, B-1050 Brussels, Belgium. [Bose, D.; Brayeur, L.; Casier, M.; De Clercq, C.; Golup, G.; Kunnen, J.; Labare, M.; Miller, J.; Strahler, E. A.; van Eijndhoven, N.] Vrije Univ Brussel, Dienst ELEM, B-1050 Brussels, Belgium. [Ishihara, A.; Mase, K.; Yoshida, S.] Chiba Univ, Dept Phys, Chiba 2638522, Japan. [Adams, J.; Brown, A. M.; Hickford, S.] Univ Canterbury, Dept Phys & Astron, Christchurch 8140, New Zealand. [Berley, D.; Blaufuss, E.; Christy, B.; Ellsworth, R. W.; Goodman, J. A.; Hellauer, R.; Hoffman, K. D.; Huelsnitz, W.; Meagher, K.; Olivas, A.; Redl, P.; Richman, M.; Schmidt, T.; Sullivan, G. W.; Wissing, H.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [Beatty, J. J.; Davis, J. C.; Pfendner, C.; Rott, C.; Stamatikos, M.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Beatty, J. J.; Davis, J. C.; Pfendner, C.; Rott, C.; Stamatikos, M.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Beatty, J. J.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Clevermann, F.; Frantzen, K.; Fuchs, T.; Koehne, J. -H.; Milke, N.; Pieloth, D.; Rhode, W.; Ruhe, T.; Scheriau, F.; Schmitz, M.; Ziemann, J.] TU Dortmund Univ, Dept Phys, D-44221 Dortmund, Germany. [Bohaichuk, S.; Grandmont, D. T.; Grant, D.; Nowicki, S. C.; Sheremata, C.; Wood, T. R.] Univ Alberta, Dept Phys, Edmonton, AB T6G 2E1, Canada. [Aguilar, J. A.; Christov, A.; Montaruli, T.; Rameez, M.] Univ Geneva, Dept Phys Nucl & Corpusculaire, CH-1211 Geneva, Switzerland. [Abdou, Y.; Carson, M.; De Ridder, S.; Feusels, T.; Ismail, A. Haj; Jlelati, O.; Ryckbosch, D.; Van Overloop, A.; Vraeghe, M.] Univ Ghent, Dept Phys & Astron, B-9000 Ghent, Belgium. [Barwick, S. W.; Yodh, G.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Bruijn, R.; Cohen, S.; Ribordy, M.] Ecole Polytech Fed Lausanne, High Energy Phys Lab, CH-1015 Lausanne, Switzerland. [Besson, D. Z.] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Gallagher, J.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. [Abbasi, R.; Ahlers, M.; Auffenberg, J.; Baker, M.; BenZvi, S.; Bernhard, A.; Chirkin, D.; Desiati, P.; Diaz-Velez, J. C.; Eisch, J.; Fadiran, O.; Feintzeig, J.; Gladstone, L.; Halzen, F.; Hoshina, K.; Jacobsen, J.; Jero, K.; Karle, A.; Kelley, J. L.; Kopper, C.; Krasberg, M.; Kurahashi, N.; Landsman, H.; Maruyama, R.; McNally, F.; Merck, M.; Morse, R.; Riedel, B.; Rodrigues, J. P.; Santander, M.; Toscano, S.; van Santen, J.; Weaver, Ch.; Wellons, M.; Wendt, C.; Westerhoff, S.; Whitehorn, N.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Abbasi, R.; Ahlers, M.; Auffenberg, J.; Baker, M.; BenZvi, S.; Chirkin, D.; Desiati, P.; Diaz-Velez, J. C.; Eisch, J.; Fadiran, O.; Feintzeig, J.; Gladstone, L.; Halzen, F.; Hoshina, K.; Jacobsen, J.; Jero, K.; Karle, A.; Kelley, J. L.; Kopper, C.; Krasberg, M.; Kurahashi, N.; Landsman, H.; Maruyama, R.; McNally, F.; Merck, M.; Morse, R.; Riedel, B.; Rodrigues, J. P.; Santander, M.; Toscano, S.; van Santen, J.; Weaver, Ch.; Wellons, M.; Wendt, C.; Westerhoff, S.; Whitehorn, N.] Univ Wisconsin, Wisconsin IceCube Particle Astrophys Ctr, Madison, WI 53706 USA. [Baum, V.; Eberhardt, B.; Koepke, L.; Kroll, G.; Luenemann, J.; Sander, H. -G.; Schatto, K.; Wiebe, K.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Kohnen, G.] Univ Mons, B-7000 Mons, Belgium. [Bernhard, A.; Gross, A.; Leute, J.; Odrowski, S.; Resconi, E.; Schulz, O.; Sestayo, Y.] Tech Univ Munich, D-85748 Garching, Germany. [Bai, X.; Evenson, P. A.; Gaisser, T. K.; Gonzalez, J. G.; Hussain, S.; Kuwabara, T.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Tamburro, A.; Tilav, S.; Xu, C.] Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. [Bai, X.; Evenson, P. A.; Gaisser, T. K.; Gonzalez, J. G.; Hussain, S.; Kuwabara, T.; Ruzybayev, B.; Seckel, D.; Stanev, T.; Tamburro, A.; Tilav, S.; Xu, C.] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. [Sarkar, S.] Univ Oxford, Dept Phys, Oxford OX1 3NP, England. [Madsen, J.; Seunarine, S.; Spiczak, G. M.] Univ Wisconsin, Dept Phys, River Falls, WI 54022 USA. [Bohm, C.; Danninger, M.; Finley, C.; Flis, S.; Hulth, P. O.; Hultqvist, K.; Walck, C.; Wolf, M.; Zoll, M.] Univ Stockholm, 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.] Univ Stockholm, Dept Phys, SE-10691 Stockholm, Sweden. [Kiryluk, J.; Lesiak-Bzdak, M.; Niederhausen, H.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Larson, M. J.; Pepper, J. A.; Toale, P. A.; Williams, D. R.; Xu, D. L.; Zarzhitsky, P.] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Cowen, D. F.; Meszaros, P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Bell, M.; Clark, K.; Cowen, D. F.; DeYoung, T.; Dunkman, M.; Eagan, R.; Koskinen, D. J.; Meszaros, P.; Salameh, T.; Smith, M. W. E.; Tesic, G.; Wasserman, R.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Boersma, D. J.; Botner, O.; Hallgren, A.; Heros, C. Perez de los; Stroem, R.; Taavola, H.] Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden. [Boersma, D. J.; Botner, O.; Hallgren, A.; Heros, C. Perez de los; Stroem, R.; Taavola, H.] Univ Wuppertal, Dept Phys, D-42119 Wuppertal, Germany. [Ackermann, M.; Benabderrahmane, M. L.; Berdermann, J.; Berghaus, P.; Bernardini, E.; Bretz, H. -P.; Brunner, J.; Silva, A. H. Cruz; Franke, R.; Gluesenkamp, T.; Gora, D.; Jacobi, E.; Kaminsky, B.; Karg, T.; Kislat, F.; Middell, E.; Mohrmann, L.; Nahnhauer, R.; Pirk, N.; Schoenwald, A.; Spiering, C.; Stoessl, A.; Yanez, J. P.] DESY, D-15735 Zeuthen, Germany. RP Boersma, DJ (reprint author), Uppsala Univ, Dept Phys & Astron, POB 516, S-75120 Uppsala, Sweden. EM boersma@icecube.wisc.edu; santander@icecube.wisc.edu RI Tjus, Julia/G-8145-2012; Koskinen, David/G-3236-2014; Auffenberg, Jan/D-3954-2014; Brunner, Juergen/G-3540-2015; Aguilar Sanchez, Juan Antonio/H-4467-2015; Maruyama, Reina/A-1064-2013; Sarkar, Subir/G-5978-2011; Beatty, James/D-9310-2011; Wiebusch, Christopher/G-6490-2012; Taavola, Henric/B-4497-2011; OI Ter-Antonyan, Samvel/0000-0002-5788-1369; Schukraft, Anne/0000-0002-9112-5479; Koskinen, David/0000-0002-0514-5917; Auffenberg, Jan/0000-0002-1185-9094; 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; Beatty, James/0000-0003-0481-4952; Wiebusch, Christopher/0000-0002-6418-3008; Rott, Carsten/0000-0002-6958-6033; Taavola, Henric/0000-0002-2604-2810; Carson, Michael/0000-0003-0400-7819; Perez de los Heros, Carlos/0000-0002-2084-5866; Benabderrahmane, Mohamed Lotfi/0000-0003-4410-5886 FU U.S. National Science Foundation, Physics Division; University of Wisconsin Alumni Research Foundation; Grid Laboratory of Wisconsin (GLOW) grid infrastructure at the University ofWisconsin, Madison; Open Science Grid (OSG) grid infrastructure; U.S. Department of Energy; National Energy Research Scientific Computing Center; Louisiana Optical Network Initiative (LONI) grid computing resources; Natural Sciences and Engineering Research Council of Canada, WestGrid and Compute/Calcul Canada; Swedish Research Council; Swedish Polar Research Secretariat; Swedish National Infrastructure for Computing (SNIC); Knut and Alice Wallenberg Foundation, Sweden; German Ministry for Education and Research (BMBF), Deutsche Forschungsgemeinschaft (DFG); Helmholtz Alliance for Astroparticle Physics (HAP); Research Department of Plasmas with Complex Interactions (Bochum), Germany; Fund for Scientific Research (FNRS- FWO), FWO Odysseus programme; Flanders Institute to encourage scientific and technological research in industry (IWT); Belgian Federal Science Policy Office (Belspo); University of Oxford, United Kingdom; Marsden Fund, New Zealand; Australian Research Council; Japan Society for Promotion of Science (JSPS); Swiss National Science Foundation (SNSF), Switzerland; U.S. National Science Foundation, Office of Polar Programs FX We acknowledge the support from the following agencies: the U.S. National Science Foundation, Office of Polar Programs, the U.S. National Science Foundation, Physics Division, the University of Wisconsin Alumni Research Foundation, the Grid Laboratory of Wisconsin (GLOW) grid infrastructure at the University ofWisconsin, Madison, the Open Science Grid (OSG) grid infrastructure; the U.S. Department of Energy, the National Energy Research Scientific Computing Center, the Louisiana Optical Network Initiative (LONI) grid computing resources; the Natural Sciences and Engineering Research Council of Canada, WestGrid and Compute/Calcul Canada; the Swedish Research Council, the Swedish Polar Research Secretariat, the Swedish National Infrastructure for Computing (SNIC), and the Knut and Alice Wallenberg Foundation, Sweden; the German Ministry for Education and Research (BMBF), Deutsche Forschungsgemeinschaft (DFG), the Helmholtz Alliance for Astroparticle Physics (HAP), the Research Department of Plasmas with Complex Interactions (Bochum), Germany; the Fund for Scientific Research (FNRS- FWO), FWO Odysseus programme, the Flanders Institute to encourage scientific and technological research in industry (IWT), the Belgian Federal Science Policy Office (Belspo); the University of Oxford, United Kingdom; the Marsden Fund, New Zealand; the Australian Research Council; the Japan Society for Promotion of Science (JSPS); and the Swiss National Science Foundation (SNSF), Switzerland. NR 30 TC 6 Z9 6 U1 0 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 28 PY 2014 VL 89 IS 10 AR 102004 DI 10.1103/PhysRevD.89.102004 PG 13 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AI3KQ UT WOS:000336760600001 ER PT J AU Zhang, CL Harriger, LW Yin, ZP Lv, WC Wang, MY Tan, GT Song, Y Abernathy, DL Tian, W Egami, T Haule, K Kotliar, G Dai, PC AF Zhang, Chenglin Harriger, Leland W. Yin, Zhiping Lv, Weicheng Wang, Miaoyin Tan, Guotai Song, Yu Abernathy, D. L. Tian, Wei Egami, Takeshi Haule, Kristjan Kotliar, Gabriel Dai, Pengcheng TI Effect of Pnictogen Height on Spin Waves in Iron Pnictides SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTIVITY; CHALCOGENIDES; EXCITATIONS; MAGNETISM AB We use inelastic neutron scattering to study spin waves in the antiferromagnetic ordered phase of iron pnictide NaFeAs throughout the Brillouin zone. Comparing with the well-studied AFe(2)As(2) (A = Ca, Sr, Ba) family, spin waves in NaFeAs have considerably lower zone boundary energies and more isotropic effective in-plane magnetic exchange couplings. These results are consistent with calculations from a combined density functional theory and dynamical mean field theory and provide strong evidence that pnictogen height controls the strength of electron-electron correlations and consequently the effective bandwidth of magnetic excitations. C1 [Zhang, Chenglin; Song, Yu; Dai, Pengcheng] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. [Zhang, Chenglin; Lv, Weicheng; Wang, Miaoyin; Tan, Guotai; Egami, Takeshi] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Harriger, Leland W.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Yin, Zhiping; Haule, Kristjan; Kotliar, Gabriel] Rutgers State Univ, Dept Phys, Piscataway, NJ 08854 USA. [Abernathy, D. L.; Tian, Wei; Egami, Takeshi] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Egami, Takeshi] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Zhang, CL (reprint author), Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. EM pdai@rice.edu RI Dai, Pengcheng /C-9171-2012; Abernathy, Douglas/A-3038-2012; BL18, ARCS/A-3000-2012; Tian, Wei/C-8604-2013; OI Dai, Pengcheng /0000-0002-6088-3170; Abernathy, Douglas/0000-0002-3533-003X; Tian, Wei/0000-0001-7735-3187; Song, Yu/0000-0002-3460-393X FU U.S. DOE, BES [DE-FG02-05ER46202]; U.S. DOE BES through the EPSCoR Grant [DE-FG02-08ER46528]; DOE BES [DE-FG02-99ER45761]; NSF-DMR [0746395]; NSF [DMR-1308603, DMR-1104386]; Division of Scientific User Facilities, U.S. DOE, BES FX The single crystal growth and neutron scattering work at Rice, UTK was supported by the U.S. DOE, BES, through Contract No. DE-FG02-05ER46202 (P. D.). C. L. Z. and T. E. are partially supported by the U.S. DOE BES through the EPSCoR Grant No. DE-FG02-08ER46528. The DFT + DMFT computations were made possible by an Oak Ridge leadership computing facility director discretion allocation to Rutgers. The work at Rutgers is supported by DOE BES Grant No. DE-FG02-99ER45761 (Z. P. Y. and G. K.) and NSF-DMR 0746395 (K. H.). The work at Rice is also supported by NSF DMR-1308603 (P. D.). W. C. L is supported by NSF DMR-1104386. The work at SNS and HFIR was partially supported by the Division of Scientific User Facilities, U.S. DOE, BES. C. L. Zhang, L. W. Harriger, and Z. P. Yin made equal contributions to this work. NR 45 TC 18 Z9 18 U1 0 U2 39 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 28 PY 2014 VL 112 IS 21 AR 217202 DI 10.1103/PhysRevLett.112.217202 PG 5 WC Physics, Multidisciplinary SC Physics GA AI3MH UT WOS:000336765200007 ER PT J AU Bagdasarian, Z Bertelli, S Chiladze, D Ciullo, G Dietrich, J Dymov, S Eversmann, D Fanourakis, G Gaisser, M Gebel, R Gou, B Guidoboni, G Hejny, V Kacharava, A Kamerdzhiev, V Lehrach, A Lenisa, P Lorentz, B Magallanes, L Maier, R Mchedlishvili, D Morse, WM Nass, A Oellers, D Pesce, A Prasuhn, D Pretz, J Rathmann, F Shmakova, V Semertzidis, YK Stephenson, EJ Stockhorst, H Stroher, H Talman, R Engblom, PT Valdau, Y Weidemann, C Wustner, P AF Bagdasarian, Z. Bertelli, S. Chiladze, D. Ciullo, G. Dietrich, J. Dymov, S. Eversmann, D. Fanourakis, G. Gaisser, M. Gebel, R. Gou, B. Guidoboni, G. Hejny, V. Kacharava, A. Kamerdzhiev, V. Lehrach, A. Lenisa, P. Lorentz, B. Magallanes, L. Maier, R. Mchedlishvili, D. Morse, W. M. Nass, A. Oellers, D. Pesce, A. Prasuhn, D. Pretz, J. Rathmann, F. Shmakova, V. Semertzidis, Y. K. Stephenson, E. J. Stockhorst, H. Stroeher, H. Talman, R. Engblom, P. Thoerngren Valdau, Yu. Weidemann, C. Wuestner, P. TI Measuring the polarization of a rapidly precessing deuteron beam SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article AB This paper describes a time-marking system that enables a measurement of the in-plane (horizontal) polarization of a 0.97-GeV/c deuteron beam circulating in the Cooler Synchrotron (COSY) at the Forschungszentrum Julich. The clock time of each polarimeter event is used to unfold the 120-kHz spin precession and assign events to bins according to the direction of the horizontal polarization. After accumulation for one or more seconds, the down-up scattering asymmetry can be calculated for each direction and matched to a sinusoidal function whose magnitude is proportional to the horizontal polarization. This requires prior knowledge of the spin tune or polarization precession rate. An initial estimate is refined by resorting the events as the spin tune is adjusted across a narrow range and searching for the maximum polarization magnitude. The result is biased toward polarization values that are too large, in part because of statistical fluctuations but also because sinusoidal fits to even random data will produce sizable magnitudes when the phase is left free to vary. An analysis procedure is described that matches the time dependence of the horizontal polarization to templates based on emittance-driven polarization loss while correcting for the positive bias. This information will be used to study ways to extend the horizontal polarization lifetime by correcting spin tune spread using ring sextupole fields and thereby to support the feasibility of searching for an intrinsic electric dipole moment using polarized beams in a storage ring. This paper is a combined effort of the Storage Ring EDM collaboration and the JEDI collaboration. C1 [Bagdasarian, Z.; Chiladze, D.; Mchedlishvili, D.] Tbilisi State Univ, High Energy Phys Inst, GE-0186 Tbilisi, Rep of Georgia. [Bagdasarian, Z.; Chiladze, D.; Dietrich, J.; Dymov, S.; Gaisser, M.; Gebel, R.; Gou, B.; Hejny, V.; Kacharava, A.; Kamerdzhiev, V.; Lehrach, A.; Lorentz, B.; Maier, R.; Nass, A.; Prasuhn, D.; Rathmann, F.; Shmakova, V.; Stockhorst, H.; Stroeher, H.] Forschungszentrum Julich, Inst Kernphys, D-52425 Julich, Germany. [Bertelli, S.; Ciullo, G.; Guidoboni, G.; Lenisa, P.; Oellers, D.; Pesce, A.; Engblom, P. Thoerngren; Weidemann, C.] Univ Ferrara, I-44100 Ferrara, Italy. [Bertelli, S.; Ciullo, G.; Guidoboni, G.; Lenisa, P.; Oellers, D.; Pesce, A.; Engblom, P. Thoerngren; Weidemann, C.] Ist Nazl Fis Nucl, I-44100 Ferrara, Italy. [Dymov, S.; Shmakova, V.] Joint Inst Nucl Res, Lab Nucl Problems, RU-141980 Dubna, Russia. [Eversmann, D.; Pretz, J.] Rhein Westfal TH Aachen, Phys Inst B 3, D-52056 Aachen, Germany. [Fanourakis, G.] Inst Nucl Phys NCSR Demokritos, GR-15310 Athens, Greece. [Gou, B.] Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China. [Magallanes, L.] Univ Munich, D-80539 Munich, Germany. [Magallanes, L.] Univ Klinikum Heidelberg, D-69120 Heidelberg, Germany. [Morse, W. M.] Brookhaven Natl Lab, Upton, NY USA. [Semertzidis, Y. K.] Ctr Ax & Precis Phys Res, Inst Basic Sci, Taejon 305701, South Korea. [Semertzidis, Y. K.] Korea Adv Inst Sci & Technol, Dept Phys, Taejon 305701, South Korea. [Stephenson, E. J.] Indiana Univ, Ctr Spacetime Symmetries, Bloomington, IN 47405 USA. [Talman, R.] Cornell Univ, Ithaca, NY 14850 USA. [Engblom, P. Thoerngren] Royal Inst Technol, Dept Phys, SE-10691 Stockholm, Sweden. [Valdau, Yu.] Petersburg Nucl Phys Inst, Gatchina 188300, Russia. [Valdau, Yu.] Univ Bonn, Helmholtz Inst Strahlen & Kernphys, D-53115 Bonn, Germany. [Wuestner, P.] Forschungszentrum Julich, Zent Inst Engn Elekt & Analyt Syst Elekt ZEA 2, D-52425 Julich, Germany. RP Bagdasarian, Z (reprint author), Tbilisi State Univ, High Energy Phys Inst, GE-0186 Tbilisi, Rep of Georgia. EM stephene@indiana.edu RI Rathmann, Frank/A-7377-2008; OI Rathmann, Frank/0000-0003-0824-2103; Weidemann, Christian/0000-0002-2115-6667; Nass, Alexander/0000-0003-2929-9109; Bagdasarian, Zara/0000-0003-0877-496X; Lehrach, Andreas/0000-0002-6991-2257 FU Forschungszentrum Julich GmbH, Julich, Germany via COSY-FFE; EU Integrated Infrastructure Initiative [227431]; Shota Rustaveli National Science Foundation of the Republic of Georgia; Brookhaven Science Associates, LLC [DE-AC02-98CH10886]; U.S. Department of Energy FX The authors wish to thank other members of the Storage Ring EDM Collaboration [8] and the JEDI Collaboration [9] for their help with this experiment. We also wish to acknowledge the staff of COSY for providing good working conditions and for their support of the technical aspects of this experiment. This work has been financially supported by the Forschungszentrum Julich GmbH, Julich, Germany via COSY-FFE, the EU Integrated Infrastructure Initiative (FP7-10 INFRASTRUCTURES-2012-1, Grant Agreement No. 227431) and the Shota Rustaveli National Science Foundation of the Republic of Georgia. This manuscript has been authorized by the Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy. NR 7 TC 8 Z9 8 U1 1 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD MAY 28 PY 2014 VL 17 IS 5 AR 052803 DI 10.1103/PhysRevSTAB.17.052803 PG 15 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AI3MV UT WOS:000336766600002 ER PT J AU Chong, KE Hopkins, B Staude, I Miroshnichenko, AE Dominguez, J Decker, M Neshev, DN Brener, I Kivshar, YS AF Chong, Katie E. Hopkins, Ben Staude, Isabelle Miroshnichenko, Andrey E. Dominguez, Jason Decker, Manuel Neshev, Dragomir N. Brener, Igal Kivshar, Yuri S. TI Observation of Fano Resonances in All-Dielectric Nanoparticle Oligomers SO SMALL LA English DT Article DE fano resonance; all-dielectric oligomers; magnetic resonance; light scattering ID PLASMONIC NANOCLUSTERS; ROTATIONAL SYMMETRY; CLUSTERS; SCATTERING; NANOSTRUCTURES; INTERFERENCE; NANOCAVITIES; LINESHAPE; MODES; LIGHT AB It is well-known that oligomers made of metallic nanoparticles are able to support sharp Fano resonances originating from the interference of two plasmonic resonant modes with different spectral width. While such plasmonic oligomers suffer from high dissipative losses, a new route for achieving Fano resonances in nanoparticle oligomers has opened up after the recent experimental observations of electric and magnetic resonances in low-loss dielectric nanoparticles. Here, light scattering by all-dielectric oligomers composed of silicon nanoparticles is studied experimentally for the first time. Pronounced Fano resonances are observed for a variety of lithographically-fabricated heptamer nanostructures consisting of a central particle of varying size, encircled by six nanoparticles of constant size. Based on a full collective mode analysis, the origin of the observed Fano resonances is revealed as a result of interference of the optically-induced magnetic dipole mode of the central particle with the collective mode of the nanoparticle structure. This allows for effective tuning of the Fano resonance to a desired spectral position by a controlled size variation of the central particle. Such optically-induced magnetic Fano resonances in all-dielectric oligomers offer new opportunities for sensing and nonlinear applications. C1 [Chong, Katie E.; Hopkins, Ben; Staude, Isabelle; Miroshnichenko, Andrey E.; Decker, Manuel; Neshev, Dragomir N.; Kivshar, Yuri S.] Australian Natl Univ, Res Sch Phys & Engn, Nonlinear Phys Ctr, Canberra, ACT 0200, Australia. [Dominguez, Jason; Brener, Igal] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Staude, I (reprint author), Australian Natl Univ, Res Sch Phys & Engn, Nonlinear Phys Ctr, GPO Box 4, Canberra, ACT 0200, Australia. EM ips124@physics.anu.edu.au RI Hopkins, Ben/J-1498-2015; Staude, Isabelle/N-4270-2015; Neshev, Dragomir/A-3759-2008; Miroshnichenko, Andrey/C-2170-2016; OI Hopkins, Ben/0000-0002-4570-4269; Neshev, Dragomir/0000-0002-4508-8646; Miroshnichenko, Andrey/0000-0001-9607-6621; Decker, Manuel/0000-0002-9125-0851 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Australian Research Council 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. The authors also acknowledge a support from the Australian Research Council. NR 42 TC 51 Z9 51 U1 4 U2 61 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1613-6810 EI 1613-6829 J9 SMALL JI Small PD MAY 28 PY 2014 VL 10 IS 10 BP 1985 EP 1990 DI 10.1002/smll.201303612 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 AI1KX UT WOS:000336611000015 PM 24616191 ER PT J AU Broussard, LJ Back, HO Boswell, MS Crowell, AS Dendooven, P Giri, GS Howell, CR Kidd, MF Jungmann, K Kruithof, WL Mol, A Onderwater, CJG Pattie, RW Shidling, PD Sohani, M van der Hoek, DJ Rogachevskiy, A Traykov, E Versolato, OO Willmann, L Wilschut, HW Young, AR AF Broussard, L. J. Back, H. O. Boswell, M. S. Crowell, A. S. Dendooven, P. Giri, G. S. Howell, C. R. Kidd, M. F. Jungmann, K. Kruithof, W. L. Mol, A. Onderwater, C. J. G. Pattie, R. W., Jr. Shidling, P. D. Sohani, M. van der Hoek, D. J. Rogachevskiy, A. Traykov, E. Versolato, O. O. Willmann, L. Wilschut, H. W. Young, A. R. TI Measurement of the Half-Life of the T=1/2 Mirror Decay of Ne-19 and its Implication on Physics Beyond the Standard Model SO PHYSICAL REVIEW LETTERS LA English DT Article ID LIVES AB The 1+/2 -> 1+/2 superallowed mixed mirror decay of Ne-19 to F-19 is excellently suited for high precision studies of the weak interaction. However, there is some disagreement on the value of the half-life. In a new measurement we have determined this quantity to be T-1/2 = 17.2832 +/- 0.0051((stat)) +/- 0.0066((syst)) s, which differs from the previous world average by 3 standard deviations. The impact of this measurement on limits for physics beyond the standard model such as the presence of tensor currents is discussed. C1 [Broussard, L. J.; Crowell, A. S.; Howell, C. R.; Kidd, M. F.] Duke Univ, Durham, NC 27708 USA. [Broussard, L. J.; Back, H. O.; Boswell, M. S.; Crowell, A. S.; Howell, C. R.; Kidd, M. F.; Pattie, R. W., Jr.; Young, A. R.] TUNL, Durham, NC 27708 USA. [Back, H. O.; Pattie, R. W., Jr.; Young, A. R.] N Carolina State Univ, Raleigh, NC 27695 USA. [Boswell, M. S.] Univ N Carolina, Chapel Hill, NC 27599 USA. [Dendooven, P.; Giri, G. S.; Jungmann, K.; Kruithof, W. L.; Mol, A.; Onderwater, C. J. G.; Shidling, P. D.; Sohani, M.; van der Hoek, D. J.; Rogachevskiy, A.; Traykov, E.; Versolato, O. O.; Willmann, L.; Wilschut, H. W.] Univ Groningen, KVI, NL-9747 AA Groningen, Netherlands. RP Broussard, LJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM leahb@lanl.gov RI Mol, Aran/M-2758-2015; OI Mol, Aran/0000-0003-4175-5672; Broussard, Leah/0000-0001-9182-2808 FU U.S. National Science Foundation [NSF-1005233]; U.S. Department of Energy [DE-FG02-97ER41042]; Foundation for Fundamental Research on Matter (FOM), Netherlands Organisation for Scientific Research (NWO) [48, 114] FX We wish to thank all of the technical staff who made this measurement possible, especially M. Busch, B. Carlin, J. Faircloth, L. Huisman, and P. Mulkey. We are grateful to I. S. Towner for helpful discussion and calculations of < 1/W >. This work was supported by the U.S. National Science Foundation (Grant No. NSF-1005233) and the U.S. Department of Energy (Grant No. DE-FG02-97ER41042). This work is part of the research programmes 48 and 114 of the Foundation for Fundamental Research on Matter (FOM), which is part of the Netherlands Organisation for Scientific Research (NWO). NR 26 TC 7 Z9 7 U1 2 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 27 PY 2014 VL 112 IS 21 AR 212301 DI 10.1103/PhysRevLett.112.212301 PG 5 WC Physics, Multidisciplinary SC Physics GA AO0LW UT WOS:000341001700003 ER PT J AU Seletskiy, S Podobedov, B AF Seletskiy, S. Podobedov, B. TI Comment on "Seeding, Controlling, and Benefiting from the Microbunching Instability" Reply SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material C1 [Seletskiy, S.; Podobedov, B.] Brookhaven Natl Lab, Upton, NY 11733 USA. RP Seletskiy, S (reprint author), Brookhaven Natl Lab, Upton, NY 11733 USA. NR 7 TC 0 Z9 0 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 27 PY 2014 VL 112 IS 21 AR 219502 DI 10.1103/PhysRevLett.112.219502 PG 2 WC Physics, Multidisciplinary SC Physics GA AO0LW UT WOS:000341001700014 ER PT J AU Shaftan, T Bassi, G Huang, Z AF Shaftan, T. Bassi, G. Huang, Z. TI Comment on "Seeding, Controlling, and Benefiting from the Microbunching Instability" SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material ID MODULATION C1 [Shaftan, T.; Bassi, G.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Huang, Z.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. RP Shaftan, T (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 7 TC 1 Z9 1 U1 1 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 MAY 27 PY 2014 VL 112 IS 21 AR 219501 DI 10.1103/PhysRevLett.112.219501 PG 2 WC Physics, Multidisciplinary SC Physics GA AO0LW UT WOS:000341001700013 ER PT J AU Gordon, ND Klein, SA AF Gordon, Neil D. Klein, Stephen A. TI Low-cloud optical depth feedback in climate models SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID LIQUID WATER PATH; HADLEY-CENTER; TEMPERATURE-DEPENDENCE; THICKNESS; ATMOSPHERE; ISCCP; PRODUCTS; BUDGET; ECMWF; GCM AB The relationship between low-level cloud optical depth and atmospheric and surface air temperature is examined in the control climate of 13 climate models to determine if cloud optical depth-temperature relationships found in observations are replicated in climate models and if climate model behavior found in control climate simulations provides information about the optical depth feedback in climate warming simulations forced by increasing carbon dioxide. A positive relationship between cloud optical depth and cloud temperature exists in all models for low clouds with relatively cold temperatures at middle and high latitudes, whereas a negative relationship exists for warmer low clouds in the tropics and subtropics. This relationship is qualitatively similar to that in an earlier analysis of satellite observations, although modeled regression slopes tend to be too positive and their intermodel spread is large. In the models, the cold cloud response comes from increases in cloud water content with increasing temperature, while the warm cloud response comes from decreases in physical thickness with increasing cloud temperature. The intermodel and interregional spread of low-cloud optical depth feedback in climate warming simulations is well predicted by the corresponding spread in the relationships between optical depth and temperature for the current climate, suggesting that this aspect of cloud feedback may be constrained by observations. Because models have a positive bias relative to observations in the optical depth-temperature relationship, shortwave cloud feedback for climate changes may be more positive than climate models currently simulate. C1 [Gordon, Neil D.; Klein, Stephen A.] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA USA. RP Gordon, ND (reprint author), Space & Naval Warfare Syst Command Syst Ctr, Atmospher Propagat Branch, San Diego, CA 92152 USA. EM neil.gordon@navy.mil RI Klein, Stephen/H-4337-2016 OI Klein, Stephen/0000-0002-5476-858X FU United States Department of Energy's Office of Science; United States Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors acknowledge the World Climate Research Program's Working Group on Coupled Modeling, which is responsible for CMIP, and we thank the climate modeling groups (listed in Table 1 of this paper) 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. Comments on the manuscript by Mark Zelinka and three anonymous reviewers are greatly appreciated. The authors also acknowledge financial support from the Regional and Global Climate Modeling program of the United States Department of Energy's Office of Science, through a project entitled "Identifying Robust Cloud Feedbacks in Observations and Models." This work was performed under the auspices of the United States Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. NR 52 TC 12 Z9 12 U1 0 U2 13 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD MAY 27 PY 2014 VL 119 IS 10 BP 6052 EP 6065 DI 10.1002/2013JD021052 PG 14 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AJ5YQ UT WOS:000337766600020 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 Adelman, J Adomeit, S Adye, T Agatonovic-Jovin, T Aguilar-Saavedra, JA Agustoni, M Ahlen, SP Ahmad, A Ahmadov, F Aielli, G Akesson, TPA Akimoto, G Akimov, AV Albert, J Albrand, S Verzini, MJA Aleksa, M Aleksandrov, IN Alexa, C Alexander, G Alexandre, G Alexopoulos, T Alhroob, 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 Alpigiani, C Altheimer, A Gonzalez, BA Alviggi, MG Amako, K Coutinho, YA Amelung, C Amidei, D 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 Araque, JP Arce, ATH Arguin, JF Argyropoulos, S Arik, M Armbruster, AJ Arnaez, O Arnal, V Arslan, O Artamonov, A Artoni, G Asai, S Asbah, N Ashkenazi, A Ask, S Asman, B Asquith, L Assamagan, K Astalos, R Atkinson, M Atlay, NB Auerbach, B Auge, E Augsten, K Aurousseau, M Avolio, G Azuelos, G Azuma, Y Baak, MA Bacci, C 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 Bannoura, AAE Bansal, V Bansil, HS Barak, L Baranov, SP Barber, T Barberio, EL Barberis, D Barbero, M Barillari, T Barisonzi, M Barklow, T Barlow, N Barnett, BM Barnett, RM Barnovska, Z Baroncelli, A Barone, G Barr, AJ 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CA ATLAS Collaboration TI Measurement of the parity-violating asymmetry parameter ab and the helicity amplitudes for the decay Lambda(0)(b) -> J/psi Lambda(0) with the ATLAS detector SO PHYSICAL REVIEW D LA English DT Article ID WEAK DECAYS; ROOT-S=7 TEV; POLARIZATION; CONSERVATION; BARYON; COLLISIONS; MUON AB A measurement of the parity-violating decay asymmetry parameter, ab, and the helicity amplitudes for the decay.Lambda(0)(b) -> J/psi(mu(+) mu(-)) Lambda(0)(p pi(-)) is reported. The analysis is based on 1400 Lambda(0)(b)and (Lambda) over bar (0)(b) baryons selected in 4.6 fb(-1) of proton-proton collision data with a center-of-mass energy of 7 TeV recorded by the ATLAS experiment at the LHC. By combining the.0 b and. _ 0 b samples under the assumption of CP conservation, the value of ab is measured to be 0.30 +/- 0.16(stat) +/- 0.06(syst). This measurement provides a test of theoretical models based on perturbative QCD or heavy-quark effective theory. 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S.; Kuhl, T.; Lange, C.; Lisovyi, M.; Lobodzinska, E.; Maettig, S.; Medinnis, M.; Moenig, K.; Naumann, T.; Peschke, R.; Petit, E.; Piec, S. M.; Radescu, V.; Rubinskiy, I.; Schaefer, R.; Sedov, G.; Shushkevich, S.; South, D.; Stanescu-Bellu, M.; Stanitzki, M. M.; Starovoitov, P.; Styles, N. A.; Tackmann, K.; Vankov, P.; Wang, J.; Wasicki, C.; Wildt, M. A.; Yatsenko, E.; Yildirim, E.] DESY, Zeuthen, Germany. [Burmeister, I.; Esch, H.; Goessling, C.; Jentzsch, J.; Jung, C. A.; Klingenberg, R.; Wittig, T.] Tech Univ Dortmund, Inst Expt Phys 4, Dortmund, Germany. [Anger, P.; Friedrich, F.; Grohs, J. P.; Gumpert, C.; Kobel, M.; Leonhardt, K.; Mader, W. F.; Morgenstern, M.; Rudolph, C.; Schnoor, U.; Siegert, F.; Socher, F.; Staerz, S.; 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.; Kajomovitz, E.; Kotwal, A.; Kruse, M. C.; Li, S.; Liu, M.; Oh, S. H.; Pollard, C. S.; Wang, C.] Duke Univ, Dept Phys, Durham, NC 27706 USA. [Bhimji, W.; Bristow, T. M.; Clark, P. J.; Debenedetti, C.; Edwards, N. C.; Walls, F. M. Garay; Glaysher, P. C. F.; Harrington, R. D.; Martin, V. J.; Mills, C.; O'Brien, B. J.; Pino, S. A. Olivares; Proissl, M.; Schaelicke, A.; Selbach, K. E.; Smart, B. H.; Washbrook, A.; Wynne, B. M.] Univ Edinburgh, Sch Phys & Astron, SUPA, Edinburgh, Midlothian, Scotland. [Annovi, A.; Antonelli, M.; Bilokon, H.; Chiarella, V.; Curatolo, M.; Di Nardo, R.; Esposito, B.; Gatti, C.; Laurelli, P.; Maccarrone, G.; Sansoni, A.; Testa, M.; Vilucchi, E.; Volpi, G.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Amoroso, S.; Barber, T.; Betancourt, C.; Boehler, M.; Bruneliere, R.; Buehrer, F.; Consorti, V.; Di Simone, A.; Fehling-Kaschek, M.; Flechl, M.; Giuliani, C.; Herten, G.; Jakobs, K.; Javurek, T.; Jenni, P.; Kiss, F.; Koeneke, K.; Kopp, A. K.; Kuehn, S.; Lai, S.; Landgraf, U.; Lohwasser, K.; Madar, R.; Mahboubi, K.; Mohr, W.; Pagacova, M.; Parzefall, U.; Rave, T. C.; Ruehr, F.; Rurikova, Z.; Ruthmann, N.; Schillo, C.; Schmidt, E.; Schumacher, M.; 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, Fac Math & Phys, D-79106 Freiburg, Germany. [Alexandre, G.; Barone, G.; Bell, P. J.; Bell, W. H.; Noccioli, E. Benhar; De Mendizabal, J. Bilbao; Bucci, F.; Toro, R. Camacho; Clark, A.; della Volpe, D.; Doglioni, C.; Ferrere, D.; Gadomski, S.; Gonzalez-Sevilla, S.; Goulette, M. P.; Gramling, J.; Guescini, F.; Iacobucci, G.; Katre, A.; La Rosa, A.; Latour, B. Martin dit; Mermod, P.; Miucci, A.; Herrera, C. Mora; Muenstermann, D.; Nektarijevic, S.; Nikolics, K.; Pasztor, G.; Picazio, A.; Pohl, M.; Rosbach, K.; Toth, J.; Vallecorsa, S.; Wu, X.] Univ Geneva, Sect Phys, Geneva, Switzerland. [Barberis, D.; 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, Genoa, Italy. [Barberis, D.; Favareto, A.; Parodi, A. Ferretto; Gagliardi, G.; Guido, E.; Osculati, B.; Parodi, F.; Schiavi, C.] Univ Genoa, Dipartmento Fis, Genoa, Italy. [Tskhadadze, E. G.] Iv Javakhishvili Tbilisi State Univ, E Andronikashvili Inst Phys, Tbilisi, Rep of Georgia. [Djobava, T.; Durglishvili, A.; Khubua, J.; 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.; Buckley, A. G.; Bussey, P.; Buttar, C. M.; Buzatu, A.; Collins-Tooth, C.; D'Auria, S.; Doherty, T.; Doyle, A. T.; Ferrag, S.; Ferrando, J.; de Lima, D. E. Ferreira; Gemmell, A.; Gul, U.; Ortiz, N. G. Gutierrez; Kar, D.; Knue, A.; Moraes, A.; O'Shea, V.; Barrera, C. Oropeza; Qin, G.; Quilty, D.; Ravenscroft, T.; Robson, A.; Saxon, D. H.; Smith, K. M.; Denis, R. D. St.; Steele, G.; Stewart, G. A.; Thompson, A. S.; Wright, M.] Univ Glasgow, Sch Phys & Astron, SUPA, Glasgow, Lanark, Scotland. [Bierwagen, K.; Bindi, M.; Blumenschein, U.; George, M.; Graber, L.; Grosse-Knetter, J.; Hamer, M.; Hensel, C.; Kawamura, G.; Keil, M.; Kroeninger, K.; Lemmer, B.; Magradze, E.; Mchedlidze, G.; Morel, J.; Llacer, M. Moreno; Nackenhorst, O.; Nadal, J.; Quadt, A.; Schorlemmer, A. L. S.; Serkin, L.; Shabalina, E.; Stolte, P.; Schroeder, T. Vazquez; Weingarten, J.; Zinonos, Z.] Univ Gottingen, Inst Phys 2, Gottingen, Germany. [Albrand, S.; Brown, J.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delsart, P. A.; Gabaldon, C.; Genest, M. H.; Hostachy, J-Y.; Le, B. T.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Monini, C.; Stark, J.; Trocme, B.] Univ Grenoble 1, Lab Phys Subatom & Cosmol, Grenoble, France. [Albrand, S.; Brown, J.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delsart, P. A.; Gabaldon, C.; Genest, M. H.; Hostachy, J-Y.; Le, B. T.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Monini, C.; Stark, J.; Trocme, B.] CNRS, IN2P3, Grenoble, France. [Albrand, S.; Brown, J.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; Dechenaux, B.; Delsart, P. A.; Gabaldon, C.; Genest, M. H.; Hostachy, J-Y.; Le, B. T.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Monini, C.; Stark, J.; Trocme, B.] Inst Natl Polytech Grenoble, F-38031 Grenoble, France. [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.; Ippolito, V.; Mateos, D. Lopez; Mercurio, K. M.; 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. [Andrei, V.; Brandt, O.; Davygora, Y.; Dietzsch, T. A.; Dunford, M.; Hanke, P.; Hofmann, J. I.; Jongmanns, J.; Khomich, A.; Kluge, E. -E.; Laier, H.; Lang, V. S.; Meier, K.; Mueller, F.; Poddar, S.; Scharf, V.; Schultz-Coulon, H. -C.; Stamen, R.; Wessels, M.] Heidelberg Univ, Kirchhoff Inst Phys, Heidelberg, Germany. [Anders, C. F.; Giulini, M.; Kasieczka, G.; Narayan, R.; Schaetzel, S.; Schmitt, S.; Schoening, A.] Heidelberg Univ, Inst Phys, Heidelberg, Germany. [Colombo, T.; Kretz, M.; Kugel, A.] Heidelberg Univ, Inst Tech Informat, ZITI, Heidelberg, Germany. [Nagasaka, Y.] Hiroshima Inst Technol, Fac Appl Informat Sci, Hiroshima, Japan. [Brunet, S.; Evans, H.; Gagnon, P.; Lammers, S.; Martinez, N. Lorenzo; Luehring, F.; Ogren, H.; Penwell, J.; Poveda, J.; Weinert, B.; 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.; 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. [Aleksandrov, I. N.; Bednyakov, V. A.; Boyko, I. R.; Budagov, I. A.; Chelkov, G. A.; Cheplakov, A.; Chizhov, M. V.; Dedovich, D. V.; Demichev, M.; Glonti, G. L.; Gostkin, M. I.; Grigalashvili, N.; Huseynov, N.; Karpov, S. N.; Kazarinov, M. Y.; Khramov, E.; Kotov, V. M.; Kruchonak, U.; Krumshteyn, Z. V.; Kukhtin, V.; Ladygin, E.; Mahmoud, S.; Minashvili, I. A.; Mineev, M.; Olchevski, A. G.; Peshekhonov, V. D.; Plotnikova, E.; Potrap, I. N.; Pozdnyakov, V.; Rusakovich, N. A.; Sadykov, R.; Sapronov, A.; Shiyakova, M.; Sisakyan, A. N.; Topilin, N. D.; Vinogradov, V. B.; Zhemchugov, A.; Zimine, N. I.] Joint Inst Nucl Res Dubna, Dubna, Russia. [Amako, K.; Aoki, M.; Arai, Y.; Ikegami, Y.; Ikeno, M.; Iwasaki, H.; Kanzaki, J.; Kohriki, T.; Kondo, T.; Kono, T.; Makida, Y.; Mitsui, S.; Nagano, K.; Nakamura, K.; Nozaki, M.; Odaka, S.; Sasaki, O.; Suzuki, Y.; Takubo, Y.; Tanaka, S.; Terada, S.; Tokushuku, K.; Tsuno, S.; Unno, Y.; Yamada, M.; Yamamoto, A.; Yasu, Y.] KEK, Tsukuba, Ibaraki, Japan. [Inamaru, Y.; 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.; Sumida, T.; Tashiro, T.] Kyoto Univ, Fac Sci, Kyoto, 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 Plata, La Plata, 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, 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, Lecce, Italy. [Gorini, E.; Orlando, N.; Spagnolo, S.; Ventura, A.] Univ Salento, Dipartimento Matemat & Fis, Lecce, Italy. [Allport, P. P.; Bundock, A. C.; Burdin, S.; D'Onofrio, M.; Dervan, P.; Gwilliam, C. B.; Hayward, H. S.; Jackson, 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.; Polesello, G.; 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. [Alpigiani, C.; Bona, M.; Carter, A. A.; Cerrito, L.; 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. [Berry, T.; Boisvert, V.; Brooks, T.; Cantrill, R.; Connelly, I. A.; Cooper-Smith, N. J.; Cowan, G.; Duguid, L.; George, S.; Gibson, S. M.; Vazquez, J. G. Panduro; Pastore, Fr.; Rose, M.; Spano, F.; Teixeira-Dias, P.; Thomas-Wilsker, J.] Royal Holloway Univ London, Dept Phys, Surrey, England. [Baker, O. K.; Bernat, P.; Bieniek, S. P.; Butterworth, J. M.; Campanelli, M.; Casadei, D.; Chislett, R. T.; Christidi, I. A.; Cooper, B. D.; Davison, A. R.; Davison, P.; Dobson, E.; Gutschow, C.; Hesketh, G. G.; Jansen, E.; Konstantinidis, N.; Korn, A.; Lambourne, L.; Leney, K. J. C.; Martyniuk, A. C.; Mcfayden, J. A.; 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.; Greenwood, Z. D.; Jana, D. K.; Jenni, P.; Sawyer, L.; Sircar, A.; Subramaniam, R.; Tamsett, M. C.] Louisiana Tech Univ, Ruston, LA 71270 USA. [Beau, T.; Bomben, M.; 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.; Malaescu, B.; Marchiori, G.; Messina, A.; Nikolic-Audit, I.; Ocariz, J.; Pires, S.; Rangel-Smith, C.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.; Varouchas, D.] UPMC, Lab Phys Nucl & Hautes Energies, Paris, France. [Beau, T.; Bomben, M.; 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.; Malaescu, B.; Marchiori, G.; Messina, A.; Nikolic-Audit, I.; Ocariz, J.; Pires, S.; Rangel-Smith, C.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.; Varouchas, D.] Univ Paris Diderot, Paris, France. [Beau, T.; Bomben, M.; 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.; Malaescu, B.; Marchiori, G.; Messina, A.; Nikolic-Audit, I.; Ocariz, J.; Pires, S.; Rangel-Smith, C.; Ridel, M.; Roos, L.; Trincaz-Duvoid, S.; Vannucci, F.; Varouchas, D.] CNRS, IN2P3, Paris, France. [Akesson, T. P. A.; Bocchetta, S. S.; Bryngemark, L.; Floderus, A.; Hawkins, A. D.; Hedberg, V.; Jarlskog, G.; Lytken, E.; Meirose, B.; Mjornmark, J. U.; Smirnova, O.; Viazlo, O.] Lund Univ, Inst Fys, Lund, Sweden. [Arnal, V.; Barreiro, F.; Cantero, J.; De la Torre, H.; Del Peso, J.; Glasman, C.; Labarga, L.; Llorente Merino, J.; Terron, J.] Univ Autonoma Madrid, Dept Fis Teor, Madrid, Spain. [Arnaez, O.; Blum, W.; Buescher, V.; Caputo, R.; Ellinghaus, F.; Endner, O. C.; Ertel, E.; Fiedler, F.; Torregrosa, E. Fullana; Goeringer, C.; Heck, T.; Hohlfeld, M.; Hsu, P. J.; Huelsing, T. A.; Ji, W.; Karnevskiy, M.; Kleinknecht, K.; Koenig, S.; Koepke, L.; Lungwitz, M.; Masetti, L.; Mattmann, J.; Meyer, C.; Moreno, D.; Moritz, S.; Mueller, T.; 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.; Cox, B. E.; Da Via, C.; Forti, A.; Ponce, J. M. Iturbe; Joshi, K. D.; Klinger, J. A.; Loebinger, F. K.; Marsden, S. P.; Masik, J.; Neep, T. J.; Oh, A.; Owen, M.; Pater, J. R.; Peters, R. F. Y.; Price, D.; Robinson, J. E. M.; Tomlinson, L.; Watts, S.; Webb, S.; Woudstra, M. J.; Wyatt, T. R.; Yang, U. K.] Univ Manchester, Sch Phys & Astron, Manchester, Lancs, England. [Aad, G.; Alio, L.; Barbero, M.; Bertella, C.; Clemens, J. C.; Coadou, Y.; Djama, F.; Feligioni, L.; Hoffmann, D.; Hubaut, F.; Knoops, E. B. F. G.; Le Guirriec, E.; Li, B.; Madaffari, D.; Mochizuki, K.; Monnier, E.; Muanza, S.; Nagai, Y.; Pravahan, R.; Rozanov, A.; Serre, T.; Talby, M.; Tannoury, N.; Tiouchichine, E.; Tisserant, S.; Toth, J.; Touchard, F.; Ughetto, M.; Vacavant, L.] Univ Aix Marseille, CPPM, Marseille, France. [Aad, G.; Alio, L.; Barbero, M.; Bertella, C.; Clemens, J. C.; Coadou, Y.; Djama, F.; Feligioni, L.; Hoffmann, D.; Hubaut, F.; Knoops, E. B. F. G.; Le Guirriec, E.; Li, B.; Madaffari, D.; Mochizuki, K.; 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. [Bellomo, M.; 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.; Brennan, A. J.; Diglio, S.; Hamano, K.; Jennens, D.; Kubota, T.; Limosani, A.; Hanninger, G. Nunes; Nuti, F.; Petersen, B. A.; Rados, P.; Shao, Q. T.; Tan, K. G.; Taylor, G. N.; Thong, W. M.; Volpi, M.] Univ Melbourne, Sch Phys, Victoria, Australia. [Amidei, D.; Chelstowska, M. A.; Cheng, H. C.; 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.; Searcy, J.; Thun, R. P.; Wilson, A.; Wu, Y.; Yu, J. M.; 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.; Chegwidden, A.; Fisher, W. C.; Halladjian, G.; Hauser, R.; Hayden, D.; Huston, J.; Koll, J.; Linnemann, J. T.; Martin, B.; Pope, B. G.; Schoenrock, B. D.; Schwienhorst, R.; Ta, D.; Tollefson, K.; True, P.; Willis, C.; Zhang, H.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Alimonti, G.; Andreazza, A.; Besana, M. I.; Carminati, L.; Cavalli, D.; Citterio, M.; Consonni, S. M.; Costa, G.; Fanti, M.; Giugni, D.; Lari, T.; Mandelli, L.; Meloni, F.; Meroni, C.; Perini, L.; Pizio, C.; Ragusa, F.; Resconi, S.; Simoniello, R.; Tartarelli, G. F.; Troncon, C.; Turra, R.] Ist Nazl Fis Nucl, Sez Milano, Milan, Italy. [Andreazza, A.; Carminati, L.; Consonni, S. M.; Fanti, M.; Meloni, F.; Perini, L.; Pizio, C.; Ragusa, F.; Simoniello, R.; Turra, R.] Univ Milan, Dipartimento Fis, Milan, Italy. [Bogouch, A.; Harkusha, S.; Kulchitsky, Y.; Kurochkin, Y. A.; Satsounkevitch, I.; Tsiareshka, P. V.] Natl Acad Sci Belarus, BI Stepanov Phys Inst, Minsk, Byelarus. [Yanush, S.] Natl Sci & Educ Ctr Particle & High Energy Phys, Minsk, Byelarus. [Taylor, F. E.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Arguin, J-F.; Asbah, N.; Azuelos, G.; Dallaire, F.; Davies, E.; Gauthier, L.; Leroy, C.; Martin, J. P.; Rezvani, R.; Soueid, P.] Univ Montreal, Grp Particle Phys, Montreal, PQ, Canada. [Akimov, A. V.; Baranov, S. P.; Gavrilenko, I. L.; Komar, A. A.; Mashinistov, R.; Mouraviev, S. V.; Nechaeva, P. Yu.; Shmeleva, A.; Snesarev, A. A.; Sulin, V. V.; Tikhomirov, V. O.] Acad Sci, PN Lebedev Phys Inst, Moscow, Russia. [Artamonov, A.; Gorbounov, P. A.; Khovanskiy, V.; Shatalov, P. B.; Tsukerman, I. I.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Antonov, A.; Belotskiy, K.; Bulekov, O.; Dolgoshein, B. A.; Kantserov, V. A.; Khodinov, A.; Krasnopevtsev, D.; Romaniouk, A.; Shulga, E.; Smirnov, Y.; Soldatov, E. Yu.; Timoshenko, S.] Moscow Engn Phys Inst MEPhI, Moscow, Russia. [Boldyrev, A. S.; Gladilin, L. K.; Grishkevich, Y. V.; Kramarenko, V. A.; Rud, V. I.; Sivoklokov, S. Yu.; Smirnova, L. N.; Turchikhin, S.] Moscow MV Lomonosov State Univ, DV Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Adomeit, S.; Becker, S.; Biebel, O.; Bortfeldt, J.; Calfayan, P.; Chow, B. K. B.; de Graat, J.; Duckeck, G.; Ebke, J.; Elmsheuser, J.; Heller, C.; Hertenberger, R.; Legger, F.; Lorenz, J.; Mann, A.; Meineck, C.; Mitrevski, J.; Nunnemann, T.; Rauscher, F.; Ruschke, A.; Sanders, M. P.; Schaile, D.; Schmitt, C.; Vladoiu, D.; Walker, R.; Will, J. Z.; Wittkowski, J.; Zibell, A.] Univ Munich, Fac Phys, Munich, Germany. [Barillari, T.; Bethke, S.; Bronner, J.; Compostella, G.; Cortiana, G.; Flowerdew, M. J.; Goblirsch-Kolb, M.; Ince, T.; Kiryunin, A. E.; Kluth, S.; Kortner, O.; Kotov, S.; Kroha, H.; Macchiolo, A.; Manfredini, A.; Menke, S.; Moser, H. G.; Nagel, M.; Nisius, R.; Nowak, S.; Oberlack, H.; Pahl, C.; Pospelov, G. E.; Richter, R.; Salihagic, D.; Sandstroem, R.; Schacht, P.; Schwegler, Ph.; Sforza, F.; Stern, S.; Stonjek, S.; Terzo, S.; von der Schmitt, H.; Weigell, P.; Wildauer, A.; Zanzi, D.] Max Planck Inst Phys & Astrophys, Werner Heisenberg Inst, D-80805 Munich, Germany. [Shimojima, M.] Nagasaki Inst Appl Sci, Nagasaki, Japan. [Hasegawa, S.; Morvaj, L.; Ohshima, T.; Takahashi, Y.; Tomoto, M.; Wakabayashi, J.; Yamauchi, K.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648601, Japan. [Hasegawa, S.; Morvaj, L.; Ohshima, T.; Takahashi, Y.; Tomoto, M.; Wakabayashi, J.; Yamauchi, K.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648601, Japan. [Aloisio, A.; Alviggi, M. G.; Canale, V.; Carlino, G.; Chiefari, G.; Conventi, F.; de Asmundis, R.; Della Pietra, M.; Di Donato, C.; Doria, A.; Giordano, R.; Izzo, V.; Merola, L.; Patricelli, S.; Rossi, E.; Sanchez, A.; Sekhniaidze, G.; Zurzolo, G.] Ist Nazl Fis Nucl, Sez Napoli, Naples, Italy. [Aloisio, A.; Alviggi, M. G.; Canale, V.; Chiefari, G.; Di Donato, C.; Giordano, R.; Merola, L.; Patricelli, S.; Rossi, E.; Sanchez, A.; Zurzolo, G.] Univ Naples Federico II, Dipartmento 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.; Galea, C.; 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.; Berge, D.; Berglund, E.; Bobbink, G. J.; Bos, K.; Boterenbrood, H.; Butti, P.; Castelli, A.; Colijn, A. P.; de Jong, P.; De Nooij, L.; Deigaard, I.; 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.; Oussoren, K. P.; Pani, P.; Salek, D.; Valencic, N.; Van der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; Van der Leeuw, R.; van Vulpen, I.; Verkerke, W.; Vermeulen, J. C.; Milosavljevic, M. Vranjes; Vreeswijk, M.; Weits, H.] Nikhef Natl Inst Subat Phys, Amsterdam, Netherlands. [Aben, R.; Beemster, L. J.; Bentvelsen, S.; Berge, D.; Berglund, E.; Bobbink, G. J.; Bos, K.; Boterenbrood, H.; Butti, P.; Castelli, A.; Colijn, A. P.; de Jong, P.; De Nooij, L.; Deigaard, I.; 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.; Oussoren, K. P.; Pani, P.; Salek, D.; Valencic, N.; Van der Deijl, P. C.; van der Graaf, H.; Van der Leeuw, R.; van Vulpen, I.; Verkerke, W.; Vermeulen, J. C.; Milosavljevic, M. Vranjes; Vreeswijk, M.; Weits, H.] Univ Amsterdam, Amsterdam, Netherlands. [Burghgrave, B.; Calkins, R.; Chakraborty, D.; Cole, S.; Suhr, C.; Yurkewicz, A.; Zutshi, V.] No Illinois Univ, Dept Phys, De Kalb, IL USA. [Anisenkov, A. V.; Beloborodova, O. L.; Bobrovnikov, V. S.; Bogdanchikov, A. G.; Kazanin, V. F.; Korol, A. A.; Malyshev, V. M.; Maslennikov, A. L.; Maximov, D. A.; Peleganchuk, S. V.; Skovpen, K. Yu.; Soukharev, A. M.; Talyshev, A. A.; Tikhonov, Yu. A.] Budker Inst Nucl Phys, SB RAS, Novosibirsk 630090, Russia. [Cranmer, K.; Haas, A.; Heinrich, L.; van Huysduynen, L. Hooft; Kaplan, B.; Karthik, K.; Konoplich, R.; Kreiss, S.; Lewis, G. H.; Mincer, A. I.; Nemethy, P.; Neves, R. M.] NYU, Dept Phys, New York, NY 10003 USA. [Fisher, M. J.; Gan, K. K.; Ishmukhametov, R.; Kagan, H.; Kass, R. D.; Merritt, H.; Moss, J.; Nagarkar, A.; Pignotti, D. T.; Yang, Y.] Ohio State Univ, Columbus, OH 43210 USA. [Nakano, I.] Okayama Univ, Fac Sci, Okayama 700, Japan. [Abbott, B.; Gutierrez, P.; Hasib, A.; Meera-Lebbai, R.; Norberg, S.; Saleem, M.; Severini, H.; Skubic, P.; Snow, J.; Strauss, M.] Univ Oklahoma, Homer L Dodge Dept Phys & Astron, Norman, OK USA. [Abi, B.; Bousson, N.; Khanov, A.; Rizatdinova, F.; Sidorov, D.] Oklahoma State Univ, Dept Phys, Stillwater, OK 74078 USA. [Chytka, L.; Hamal, P.; Hrabovsky, M.; Nozka, L.] Palacky Univ, RCPTM, CR-77147 Olomouc, Czech Republic. [Brau, J. E.; Brost, E.; Majewski, S.; Potter, C. T.; Ptacek, E.; Radloff, P.; Reinsch, A.; Shamim, M.; Sinev, N. B.; Strom, D. M.; Torrence, E.; Winklmeier, F.] Univ Oregon, Ctr High Energy Phys, Eugene, OR 97403 USA. [Khalek, S. Abdel; Auge, E.; Bassalat, A.; Becot, C.; Binet, S.; Bourdarios, C.; Charfeddine, D.; De la Taille, C.; De Regie, J. B. De Vivie; Duflot, L.; Escalier, M.; Fayard, L.; Fournier, D.; Grivaz, J. -F.; Guillemin, T.; Henrot-Versille, S.; Hrivnac, J.; Iconomidou-Fayard, L.; Idarraga, J.; Kado, M.; Li, Y.; Lounis, A.; Makovec, N.; Matricon, P.; Poggioli, L.; Puzo, P.; Renaud, A.; Rousseau, D.; Rybkin, G.; Schaffer, A. C.; Scifo, E.; Serin, L.; Simion, S.; Tanaka, R.; Tran, H. L.; Zerwas, D.; Zhang, Z.] Univ Paris 11, LAL, Orsay, France. [Khalek, S. Abdel; Auge, E.; Bassalat, A.; Becot, C.; Binet, S.; Bourdarios, C.; Charfeddine, D.; De la Taille, C.; De Regie, J. B. De Vivie; Duflot, L.; Escalier, M.; Fayard, L.; Fournier, D.; Grivaz, J. -F.; Guillemin, T.; Henrot-Versille, S.; Hrivnac, J.; Iconomidou-Fayard, L.; Idarraga, J.; Kado, M.; Li, Y.; Lounis, A.; Makovec, N.; Matricon, P.; Poggioli, L.; Puzo, P.; Renaud, A.; Rousseau, D.; Rybkin, G.; Schaffer, A. C.; Scifo, E.; Serin, L.; Simion, S.; Tanaka, R.; Tran, H. L.; Zerwas, D.; Zhang, Z.] CNRS, IN2P3, F-91405 Orsay, France. [Endo, M.; Hanagaki, K.; Hirose, M.; Lee, J. S. H.; Nomachi, M.; Okamura, W.; Sugaya, Y.] Osaka Univ, Grad Sch Sci, Osaka, Japan. [Bugge, L.; Bugge, M. K.; Cameron, D.; Gjelsten, B. K.; Gramstad, E.; Ould-Saada, F.; Pajchel, K.; Pedersen, M.; Read, A. L.; Rohne, O.; Smestad, L.; Stapnes, S.; Strandlie, A.] Univ Oslo, Dept Phys, Oslo, Norway. [Apolle, R.; Barr, A. J.; Behr, K.; Boddy, C. R.; Buckingham, R. M.; Cooper-Sarkar, A. M.; Ortuzar, M. Crispin; Dafinca, A.; Gallas, E. J.; Gupta, S.; Gwenlan, C.; Hall, D.; Hays, C. P.; Henderson, J.; Howard, J.; Huffman, T. B.; Issever, C.; King, R. S. B.; Kogan, L. A.; Lewis, A.; Liang, Z.; Livermore, S. S. A.; Nickerson, R. B.; Pachal, K.; Pinder, A.; Robichaud-Veronneau, A.; Ryder, N. C.; Sawyer, C.; Short, D.; Tseng, J. C-L.; Vickey, T.; Viehhauser, G. H. A.; Weidberg, A. R.; Zhong, J.] Univ Oxford, Dept Phys, Oxford, England. [Conta, C.; Dondero, P.; Ferrari, R.; Fraternali, M.; Gaudio, G.; Lanza, A.; Livan, M.; Negri, A.; Polesello, G.; Rebuzzi, D. M.; Rimoldi, A.; Vercesi, V.] Ist Nazl Fis Nucl, Sez Pavia, Pavia, Italy. [Conta, C.; Dondero, P.; Fraternali, M.; Livan, M.; Negri, A.; Rebuzzi, D. M.; Rimoldi, A.] Univ Pavia, Dipartimento Fis, I-27100 Pavia, Italy. [Brendlinger, K.; Degenhardt, J.; Heim, S.; Hines, E.; Hong, T. M.; Jackson, B.; Keener, P. T.; Kroll, J.; Kunkle, J.; Lester, C. M.; Lipeles, E.; Newcomer, F. M.; Olivito, D.; Ospanov, R.; Saxon, J.; Schaefer, D.; Stahlman, J.; Thomson, E.; Tuna, A. N.; Van Berg, R.; Vanguri, R.; Williams, H. H.] Univ Penn, Dept Phys, Philadelphia, PA 19104 USA. [Fedin, O. L.; Gratchev, V.; Grebenyuk, O. G.; Maleev, V. P.; Ryabov, Y. F.; Schegelsky, V. A.; Sedykh, E.; Seliverstov, D. M.; Solovyev, V.] Petersburg Nucl Phys Inst, Gatchina, Russia. [Beccherle, R.; Bertolucci, F.; Cavasinn, V.; Del Prete, T.; Dell'Orso, M.; Donati, S.; Giannetti, P.; Roda, C.; Scuri, F.; Volpi, G.; White, S.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy. [Beccherle, R.; Bertolucci, F.; Cavasinn, V.; Del Prete, T.; Dell'Orso, M.; Donati, S.; Giannetti, P.; Roda, C.; Scuri, F.; Volpi, G.; White, S.] Univ Pisa, Dipartimento Fis E Fermi, Pisa, Italy. [Bianchi, R. M.; Boudreau, J.; Cleland, W.; Escobar, C.; Kittelmann, T.; Mueller, J.; Prieur, D.; Sapp, K.; Su, J.; Yoosoofmiya, R.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Aguilar-Saavedra, J. A.; Amor Dos Santos, S. P.; Amorim, A.; Anjos, N.; Araque, J. P.; Carvalho, J.; Castro, N. F.; Conde Muino, P.; Da Cunha Sargedas De Sousa, M. J.; Do Valle Wemans, A.; Fiolhais, M. C. N.; Galhardo, B.; Gomes, A.; Goncalo, R.; Jorge, P. M.; Lopes, L.; Machado Miguens, J.; Maio, A.; Maneira, J.; Marques, C. N.; Onofre, A.; Palma, A.; Pedro, R.; Pina, J.; Pinto, B.; Santos, H.; Saraiva, J. G.; Silva, J.; Tavares Delgado, A.; Veloso, F.; Wolters, H.] LIP, Lab Instrumentacao & Fis Expt Particulas, P-1000 Lisbon, Portugal. [Amorim, A.; Conde Muino, P.; Da Cunha Sargedas De Sousa, M. J.; Gomes, A.; Jorge, P. M.; Machado Miguens, J.; Maio, A.; Maneira, J.; Palma, A.; Pedro, R.; Pina, J.; Tavares Delgado, A.] Univ Lisbon, Fac Ciencias, Lisbon, Portugal. [Amor Dos Santos, S. P.; Carvalho, J.; Fiolhais, M. C. N.; Galhardo, B.; Veloso, F.; Wolters, H.] Univ Coimbra, Dept Phys, Coimbra, Portugal. [Gomes, A.; Maio, A.; Pina, J.; Saraiva, J. G.; Silva, J.] Univ Lisbon, Ctr Fis Nucl, Lisbon, Portugal. [Onofre, A.] Univ Minho, Dept Fis, Braga, Portugal. [Aguilar-Saavedra, J. A.] Univ Granada, Departamento Fis Teor & Cosmos, Granada, Spain. [Aguilar-Saavedra, J. A.] Univ Granada, CAFPE, Granada, Spain. [Do Valle Wemans, A.] Univ Nova Lisboa, Dept Fis, Caparica, Portugal. [Do Valle Wemans, A.] Univ Nova Lisboa, CEFITEC, Fac Ciencias & Tecnol, Caparica, Portugal. [Bohm, J.; Chudoba, J.; Havranek, M.; Hejbal, J.; Jakoubek, T.; Kepka, O.; Kupco, A.; Kus, V.; Lokajicek, M.; Lysak, R.; Marcisovsky, M.; Mikestikova, M.; Myska, M.; Nemecek, S.; Sicho, P.; Staroba, P.; Svatos, M.; Tasevsky, M.; Vrba, V.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Augsten, K.; Gallus, P.; Gunther, J.; Jakubek, J.; Kohout, Z.; Kral, V.; Pospisil, S.; Seifert, F.; Simak, V.; Slavicek, T.; Smolek, K.; Sodomka, J.; Solar, M.; Solc, J.; Sopko, V.; Sopko, B.; Stekl, I.; Suk, M.; Turecek, D.; Vacek, V.; Vlasak, M.; Vokac, P.; Vykydal, Z.; Zeman, M.] Czech Tech Univ, CR-16635 Prague, Czech Republic. [Balek, P.; Berta, P.; Cerny, K.; Chalupkova, I.; Davidek, T.; Dolejsi, J.; Dolezal, Z.; Kodys, P.; Leitner, R.; Novakova, J.; Pleskot, V.; Reznicek, P.; Rybar, M.; Scheirich, D.; Spousta, M.; Sykora, T.; Tas, P.; Todorova-Nova, S.; Valkar, S.; Vorobel, V.] Charles Univ Prague, Fac Math & Phys, Prague, Czech Republic. [Ammosov, V. V.; Borisov, A.; Denisov, S. P.; Fakhrutdinov, R. M.; Fenyuk, A. B.; Golubkov, D.; Ivashin, A. V.; Karyukhin, A. N.; Korotkov, V. A.; Kozhin, A. S.; Minaenko, A. A.; Myagkov, A. G.; Nikolaenko, V.; Solodkov, A. A.; Solovyanov, O. V.; Starchenko, E. A.; Zaitsev, A. M.; Zenin, O.] State Res Ctr Inst High Energy Phys, Protvino, Russia. [Adye, T.; Apolle, R.; Baines, J. T.; Barnett, B. M.; Burke, S.; Davies, E.; Dewhurst, A.; Emeliyanov, D.; Gallop, B. J.; Gee, C. N. P.; Haywood, S. J.; Kirk, J.; Martin-Haugh, S.; McCubbin, N. A.; McMahon, S. J.; Middleton, R. P.; Murray, W. J.; Phillips, P. W.; Sankey, D. P. C.; Scott, W. G.; Tyndel, M.; Wickens, F. J.; Wielers, M.] Rutherford Appleton Lab, Particle Phys Dept, Didcot OX11 0QX, Oxon, England. [Benslama, K.] Univ Regina, Dept Phys, Regina, SK S4S 0A2, Canada. [Tanaka, S.] Ritsumeikan Univ, Kusatsu, Shiga, Japan. [Anulli, F.; Bagiacchi, P.; Bagnaia, P.; Bini, C.; Ciapetti, G.; De Pedis, D.; De Salvo, A.; De Zorzi, G.; Di Domenico, A.; Dionisi, C.; Falciano, S.; Gabrielli, A.; Gauzzi, P.; Gentile, S.; Giagu, S.; Kuna, M.; Lacava, F.; Luci, C.; Luminari, L.; Marzano, F.; Mirabelli, G.; Monzani, S.; Nisati, A.; Pasqualucci, E.; Petrolo, E.; Pontecorvo, L.; Rescigno, M.; Rosati, S.; Tehrani, F. 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[Bacci, C.; Baroncelli, A.; Biglietti, M.; Bortolotto, V.; Branchini, P.; Ceradini, F.; Di Micco, B.; Farilla, A.; Graziani, E.; Iodice, M.; Orestano, D.; Passeri, A.; Pastore, F.; Petrucci, F.; Stanescu, C.; Trovatelli, M.] Ist Nazl Fis Nucl, Sez Roma Tre, Rome, Italy. [Bacci, C.; Bortolotto, V.; Ceradini, F.; Di Micco, B.; Orestano, D.; Pastore, F.; Petrucci, F.; Trovatelli, M.] Univ Roma Tre, Dipartimento Matemat & Fis, Rome, Italy. [Benchekroun, D.; Chafaq, A.; Gouighri, M.; Hoummada, A.] Univ Hassan 2, Reseau Univ Phys Hautes Energies, Fac Sci Ain Chock, Casablanca, Morocco. [Ghazlane, H.] Ctr Natl Energie Sci Techn Nucl, Rabat, Morocco. [El Kacimi, M.; Goujdami, D.] Univ Cadi Ayyad, LPHEA, 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. [El Moursli, R. Cherkaoui; Haddad, N.] 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.; Hoffmann, M. Dano; 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.; Maiani, C.; Mal, P.; Mansoulie, B.; Martinez, H.; Meric, N.; Meyer, J-P.; Mijovic, L.; Nicolaidou, R.; Ouraou, A.; Protopapadaki, E.; Resende, B.; Royon, C. R.; Schoeffel, L.; Schune, Ph.; Schwemling, Ph.; Schwindling, J.; Tsionou, D.; Vranjes, N.; Xiao, M.] CEA Saclay, DSM IRFU Inst Rech Lois Fondament Univers, Commissariat Energie Atom & Energies Alternat, F-91191 Gif Sur Yvette, France. [Grillo, A. A.; Kuhl, A.; Law, A. T.; Litke, A. M.; Lockman, W. S.; Manning, P. M.; Nielsen, J.; Reece, R.; Sadrozinski, H. F-W.; Schumm, B. A.; Seiden, A.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Beckingham, M.; Blackburn, D.; Coccaro, A.; Goussiou, A. G.; Harris, O. M.; Hsu, S. -C.; Lubatti, H. J.; Marx, M.; Rompotis, N.; Rosten, R.; Rothberg, J.; De Bruin, P. H. Sales; Verducci, M.; Watts, G.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Anastopoulos, C.; Costanzo, D.; Donszelmann, T. Cuhadar; Dawson, I.; Fletcher, G. T.; Hodgkinson, M. C.; Hodgson, P.; Johansson, P.; Korolkova, E. V.; Paredes, B. Lopez; Miyagawa, P. S.; Paganis, E.; Suruliz, K.; Tovey, D. R.; Tua, A.] Univ Sheffield, Dept Phys & Astron, Sheffield, S Yorkshire, England. [Hasegawa, Y.; Takeshita, T.] Shinshu Univ, Dept Phys, Nagano, Japan. [Atlay, N. B.; Buchholz, P.; Czirr, H.; Fleck, I.; Gaur, B.; Grybel, K.; Ibragimov, I.; Ikematsu, K.; Rammes, M.; Rosenthal, O.; Sipica, V.; Walkowiak, W.; Ziolkowski, M.] Univ Siegen, Fachbereich Phys, D-57068 Siegen, Germany. [Buat, Q.; 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.; Kagan, M.; Kocian, M.; Koi, T.; Lowe, A. J.; Malone, C.; Mount, R.; Nelson, T. K.; Piacquadio, G.; Salnikov, A.; Schwartzman, A.; Silverstein, D.; Strauss, E.; Su, D.; Swiatlowski, M.; Wittgen, M.; Young, C.] SLAC Natl Accelerator Lab, Stanford, CA USA. [Astalos, R.; Bartos, P.; Batkova, L.; Blazek, T.; Federic, P.; Stavina, P.; Sykora, I.; Tokar, S.; Zenis, T.] Comenius Univ, Fac Math Phys & Informat, Bratislava, Slovakia. [Antos, J.; Bruncko, D.; Kladiva, E.; 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.; Connell, S. H.; Yacoob, S.] Univ Johannesburg, Dept Phys, Johannesburg, South Africa. [Bristow, K.; Carrillo-Montoya, G. D.; Chen, X.; Garcia, B. R. Mellado; Ruan, X.; Vickey, T.; Boeriu, O. E. Vickey] Univ Witwatersrand, Sch Phys, Johannesburg, South Africa. [Abulaiti, Y.; Asman, B.; Bendtz, K.; Bessidskaia, O.; Bohm, C.; Clement, C.; Eriksson, D.; Gellerstedt, K.; Hellman, S.; Johansson, K. E.; Jon-And, K.; Khandanyan, H.; Kim, H.; Klimek, P.; Lundberg, O.; Milstead, D. A.; Moa, T.; Molander, S.; Petridis, A.; Plucinski, P.; Rossetti, V.; Silverstein, S. B.; Sjolin, J.; Strandberg, S.; Tylmad, M.] Univ Stockholm, Dept Phys, S-10691 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, O.; Milstead, D. A.; Moa, T.; Molander, S.; Petridis, A.; Plucinski, P.; Rossetti, V.; Sjolin, J.; Strandberg, S.; Tylmad, M.] 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.; Bee, C. P.; Campoverde, A.; Chen, K.; Engelmann, R.; Grassi, V.; Hobbs, J.; Jia, J.; Li, H.; Lindquist, B. E.; Mastrandrea, P.; McCarthy, R. L.; Puldon, D.; Radhakrishnan, S. K.; Rijssenbeek, M.; Schamberger, R. D.; Tsybychev, D.; Zaman, A.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Ahmad, A.; Bee, C. P.; Campoverde, A.; Chen, K.; Engelmann, R.; Grassi, V.; Hobbs, J.; Jia, J.; Li, H.; Lindquist, B. E.; Mastrandrea, P.; McCarthy, R. L.; Puldon, D.; Radhakrishnan, S. K.; Rijssenbeek, M.; Schamberger, R. D.; Tsybychev, D.; Zaman, A.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Bartsch, V.; Cerri, A.; Barajas, C. A. Chavez; De Santo, A.; Grout, Z. J.; Potter, C. J.; 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.; Finelli, K. D.; Jeng, G. -Y.; Patel, N. D.; Saavedra, A. F.; Scarcella, M.; Varvell, K. E.; Watson, I. J.; Yabsley, B.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Abdallah, J.; Chu, M. L.; Hou, S.; Jamin, D. O.; Lee, C. A.; Lee, S. C.; Li, B.; Lin, S. C.; Liu, B.; Liu, D.; Lo Sterzo, F.; Mazini, R.; Ren, Z. L.; Soh, D. A.; Teng, P. K.; Wang, C.; 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, Haifa, Israel. [Abramowicz, H.; Alexander, G.; Amram, N.; Ashkenazi, A.; 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. [Ishitsuka, M.; Jinnouchi, O.; Kanno, T.; Kuze, M.; Nagai, R.; Nobe, T.; Pettersson, N. E.] 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.; Pettersson, N. E.] Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. [AbouZeid, O. S.; Bailey, D. C.; Brelier, B.; Chau, C. C.; 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. [Azuelos, G.; Canepa, A.; Chekulaev, S. V.; Fortin, D.; Gingrich, D. M.; Koutsman, A.; Oakham, F. G.; Oram, C. J.; Codina, E. Perez; Savard, P.; Schouten, D.; Seuster, R.; Stelzer-Chilton, O.; Tafirout, R.; Trigger, I. M.; Vetterli, M. C.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Garcia, J. A. Benitez; Bustos, A. C. Florez; Ramos, J. A. Manjarres; Palacino, G.; Qureshi, A.; Taylor, W.] York Univ, Dept Phys & Astron, Toronto, ON M3J 2R7, Canada. [Hara, K.; Hayashi, T.; Kim, S. H.; Kiuchi, K.; Ukegawa, F.] Univ Tsukuba, Fac Pure & Appl Sci, Tsukuba, Ibaraki, Japan. [Beauchemin, P. H.; Hamilton, S.; Meoni, E.; Rolli, S.; Sliwa, K.; Wetter, J.] Tufts Univ, Dept Phys & Astron, Medford, MA 02155 USA. [Losada, M.; Navarro, G.; Sandoval, C.] Univ Antonio Narino, Ctr Invest, Bogota, Colombia. [Corso-Radu, A.; Farrell, S.; Gerbaudo, D.; Lankford, A. J.; Mete, A. S.; Nelson, A.; Rao, K.; Relich, M.; Scannicchio, D. A.; Schernau, M.; Shimmin, C. O.; 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.; Quayle, W. B.; Shaw, K.; Soualah, R.] Ist Nazl Fis Nucl, Grp Collegato Udine, Sez Trieste, Udine, Italy. [Acharya, B. S.; Quayle, W. B.; Shaw, K.] Abdus Salaam Int Ctr Theoret Phys, Trieste, Italy. [Alhroob, M.; Brazzale, S. F.; Cobal, M.; De Sanctis, U.; Giordani, M. P.; Pinamonti, M.; 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, 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.; Ohman, H.; Pelikan, D.] Uppsala Univ, Dept Phys & Astron, Uppsala, Sweden. [Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Minano Moya, M.; Mitsou, V. A.; Moles-Valls, R.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Ferrer, J. A. Valls; Villaplana Perez, M.; Vos, M.] Univ Valencia, Inst Fis Corpuscular IFIC, Valencia, Spain. [Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Minano Moya, M.; Mitsou, V. A.; Moles-Valls, R.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Ferrer, J. A. Valls; Villaplana Perez, M.; Vos, M.] Univ Valencia, Dept Fis Atom Mol & Nucl, Valencia, Spain. [Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Minano Moya, M.; Mitsou, V. A.; Moles-Valls, R.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Ferrer, J. A. Valls; Villaplana Perez, M.; Vos, M.] Univ Valencia, Dept Ingn Elect, Valencia, Spain. [Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Minano Moya, M.; Mitsou, V. A.; Moles-Valls, R.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Ferrer, J. A. Valls; Villaplana Perez, M.; Vos, M.] Univ Valencia, Inst Microelect Barcelona IMB CNM, Valencia, Spain. [Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Fassi, F.; Ferrer, A.; Fiorini, L.; Fuster, J.; Garcia, C.; Garcia Navarro, J. E.; Gonzalez de la Hoz, S.; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; King, M.; Lacasta, C.; Lacuesta, V. R.; March, L.; Marti-Garcia, S.; Minano Moya, M.; Mitsou, V. A.; Moles-Valls, R.; Oliver Garcia, E.; Pedraza Lopez, S.; Perez Garcia-Estan, M. T.; Romero Adam, E.; Ros, E.; Salt, J.; Sanchez, J.; Sanchez Martinez, V.; Soldevila, U.; Torro Pastor, E.; Valero, A.; Valladolid Gallego, E.; Ferrer, J. A. Valls; Villaplana Perez, M.; Vos, M.] CSIC, Valencia, Spain. [Fedorko, W.; Gay, C.; Gecse, Z.; King, S. B.; Lister, A.; Loh, C. W.; Swedish, S.; Viel, S.] Univ British Columbia, Dept Phys, Vancouver, BC, Canada. [Albert, J.; Bansal, V.; Berghaus, F.; Bernlochner, F. U.; David, C.; Fincke-Keeler, M.; Keeler, R.; Kowalewski, R.; Lefebvre, M.; Marino, C. P.; 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.; Murray, W. J.; Pianori, E.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Iizawa, T.; Kimura, N.; Mitani, T.; Sakurai, Y.; Yorita, K.] Waseda Univ, Tokyo, Japan. [Alon, R.; Barak, L.; Bressler, S.; Citron, Z. H.; Duchovni, E.; Gabizon, O.; Gross, E.; Groth-Jensen, J.; Lellouch, D.; Levinson, L. J.; Mikenberg, G.; Milov, A.; Milstein, D.; Roth, I.; Schaarschmidt, J.; Silbert, O.; Smakhtin, V.; Vitells, O.] Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. [Banerjee, Sw.; Dos Anjos, A.; Castillo, L. R. Flores; Hard, A. S.; Ji, H.; Ju, X.; Kashif, L.; Kruse, A.; Ming, Y.; Pan, Y. B.; Wang, F.; Wiedenmann, W.; Wu, S. L.; Yang, H.; Zhang, F.; 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, D-97070 Wurzburg, Germany. [Bannoura, A. A. E.; 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.; Heim, T.; Hirschbuehl, D.; Kersten, S.; Khoroshilov, A.; Kohlmann, S.; Lenzen, G.; Maettig, P.; Neumann, M.; Pataraia, S.; Sandhoff, M.; Sartisohn, G.; Wagner, W.; Wicke, D.; Zeitnitz, C.] Berg Univ Wuppertal, Fachbereich C Phys, Wuppertal, Germany. [Adelman, J.; Baker, O. K.; Bedikian, S.; Almenar, C. Cuenca; Cummings, J.; Czyczula, Z.; Demers, S.; Erdmann, J.; Garberson, F.; Golling, T.; Guest, D.; Henrichs, A.; Ideal, E.; Lagouri, T.; Lee, L.; Leister, A. G.; Loginov, A.; Tipton, P.; Wall, R.; Walsh, B.; Wang, X.] Yale Univ, Dept Phys, New Haven, CT USA. [Hakobyan, H.; Vardanyan, G.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Rahal, G.] Ctr Calcul Inst Natl Phys Nucl & Phys Particules, IN2P3, Villeurbanne, France. [Acharya, B. S.] Kings Coll London, Dept Phys, London, England. [Bawa, H. S.; Gao, Y. S.; Lowe, A. J.] Calif State Univ Fresno, Dept Phys, Fresno, CA 93740 USA. [Beloborodova, O. L.; Maximov, D. A.; Talyshev, A. A.; Tikhonov, Yu. A.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Conventi, F.; Della Pietra, M.] Univ Napoli Parthenope, Naples, Italy. [Corriveau, F.; McPherson, R. A.; Robertson, S. H.; Sobie, R.; Teuscher, R. J.] Inst Particle Phys, Toronto, ON, Canada. [Fedin, O. L.] St Petersburg State Polytech Univ, Dept Phys, St Petersburg, Russia. [Gkialas, I.; Papageorgiou, K.] Univ Aegean, Dept Financial & Management Engn, Chios, Greece. [Grinstein, S.; Juste Rozas, A.; Martinez, M.] ICREA, Inst Catalana Recerca & Estudis Avancats, Barcelona, Spain. [Kono, T.] Ochanomizu Univ, Ochadai Acad Prod, Tokyo 112, Japan. [Konoplich, R.] Manhattan Coll, New York, NY USA. [Liang, Z.; Soh, D. A.; Weng, Z.] Sun Yat Sen Univ, Sch Phys & Engn, Guangzhou 510275, Guangdong, 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. [Myagkov, A. G.; Nessi, M.; Nikolaenko, V.; Zaitsev, A. M.] Moscow Inst Phys & Technol, Dolgoprudnyi, Russia. [Onyisi, P. U. E.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Pasztor, G.; Toth, J.] Wigner Res Ctr Phys, Inst Particle & Nucl Phys, Budapest, Hungary. [Pinamonti, M.] SISSA, Int Sch Adv Studies, I-34014 Trieste, Italy. [Purohit, M.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Smirnova, L. N.; Turchikhin, S.] Moscow MV Lomonosov State Univ, Fac Phys, Moscow, Russia. [Wildt, M. A.] Univ Hamburg, Inst Expt Phys, Hamburg, Germany. [Yacoob, S.] Univ KwaZulu Natal, Discipline Phys, Durban, South Africa. RP Aad, G (reprint author), Univ Aix Marseille, CPPM, Marseille, France. RI Smirnova, Oxana/A-4401-2013; White, Ryan/E-2979-2015; Joergensen, Morten/E-6847-2015; Riu, Imma/L-7385-2014; Cabrera Urban, Susana/H-1376-2015; Mir, Lluisa-Maria/G-7212-2015; Garcia, Jose /H-6339-2015; Della Pietra, Massimo/J-5008-2012; Cavalli-Sforza, Matteo/H-7102-2015; Petrucci, Fabrizio/G-8348-2012; Negrini, Matteo/C-8906-2014; Ferrer, Antonio/H-2942-2015; Grancagnolo, Sergio/J-3957-2015; Gabrielli, Alessandro/H-4931-2012; Lokajicek, Milos/G-7800-2014; Castro, Nuno/D-5260-2011; Staroba, Pavel/G-8850-2014; Lei, Xiaowen/O-4348-2014; Doyle, Anthony/C-5889-2009; Di Domenico, Antonio/G-6301-2011; de Groot, Nicolo/A-2675-2009; Nemecek, Stanislav/G-5931-2014; Ventura, Andrea/A-9544-2015; Livan, Michele/D-7531-2012; De, Kaushik/N-1953-2013; Mitsou, Vasiliki/D-1967-2009; Warburton, Andreas/N-8028-2013; Villa, Mauro/C-9883-2009; Kuleshov, Sergey/D-9940-2013; Kuday, Sinan/C-8528-2014; Turchikhin, Semen/O-1929-2013; Boldyrev, Alexey/K-6303-2012; Moraes, Arthur/F-6478-2010; Boyko, Igor/J-3659-2013; Peleganchuk, Sergey/J-6722-2014; Ferrando, James/A-9192-2012; Bosman, Martine/J-9917-2014; Brooks, William/C-8636-2013; spagnolo, stefania/A-6359-2012; Ciubancan, Liviu Mihai/L-2412-2015; Shmeleva, Alevtina/M-6199-2015; Gavrilenko, Igor/M-8260-2015; Tikhomirov, Vladimir/M-6194-2015; Chekulaev, Sergey/O-1145-2015; Gorelov, Igor/J-9010-2015; Gladilin, Leonid/B-5226-2011; Andreazza, Attilio/E-5642-2011; Carvalho, Joao/M-4060-2013; Mashinistov, Ruslan/M-8356-2015; Buttar, Craig/D-3706-2011; Yang, Haijun/O-1055-2015; Monzani, Simone/D-6328-2017; BESSON, NATHALIE/L-6250-2015; Vanadia, Marco/K-5870-2016; Ippolito, Valerio/L-1435-2016; Mora Herrera, Maria Clemencia/L-3893-2016; Maneira, Jose/D-8486-2011; messina, andrea/C-2753-2013; Prokoshin, Fedor/E-2795-2012; KHODINOV, ALEKSANDR/D-6269-2015; Gauzzi, Paolo/D-2615-2009; Fabbri, Laura/H-3442-2012; Solodkov, Alexander/B-8623-2017; Zaitsev, Alexandre/B-8989-2017; Gonzalez de la Hoz, Santiago/E-2494-2016; Guo, Jun/O-5202-2015; Aguilar Saavedra, Juan Antonio/F-1256-2016; Leyton, Michael/G-2214-2016; Jones, Roger/H-5578-2011; Vranjes Milosavljevic, Marija/F-9847-2016; Perrino, Roberto/B-4633-2010; SULIN, VLADIMIR/N-2793-2015; Nechaeva, Polina/N-1148-2015; Vykydal, Zdenek/H-6426-2016; Olshevskiy, Alexander/I-1580-2016; Snesarev, Andrey/H-5090-2013; Solfaroli Camillocci, Elena/J-1596-2012 OI Smirnova, Oxana/0000-0003-2517-531X; White, Ryan/0000-0003-3589-5900; Joergensen, Morten/0000-0002-6790-9361; Riu, Imma/0000-0002-3742-4582; Mir, Lluisa-Maria/0000-0002-4276-715X; Della Pietra, Massimo/0000-0003-4446-3368; Petrucci, Fabrizio/0000-0002-5278-2206; Negrini, Matteo/0000-0003-0101-6963; Ferrer, Antonio/0000-0003-0532-711X; Grancagnolo, Sergio/0000-0001-8490-8304; Gabrielli, Alessandro/0000-0001-5346-7841; Castro, Nuno/0000-0001-8491-4376; Lei, Xiaowen/0000-0002-2564-8351; Doyle, Anthony/0000-0001-6322-6195; Di Domenico, Antonio/0000-0001-8078-2759; Ventura, Andrea/0000-0002-3368-3413; Livan, Michele/0000-0002-5877-0062; De, Kaushik/0000-0002-5647-4489; Mitsou, Vasiliki/0000-0002-1533-8886; Warburton, Andreas/0000-0002-2298-7315; Villa, Mauro/0000-0002-9181-8048; Kuleshov, Sergey/0000-0002-3065-326X; Kuday, Sinan/0000-0002-0116-5494; Turchikhin, Semen/0000-0001-6506-3123; Moraes, Arthur/0000-0002-5157-5686; Boyko, Igor/0000-0002-3355-4662; Peleganchuk, Sergey/0000-0003-0907-7592; Ferrando, James/0000-0002-1007-7816; Bosman, Martine/0000-0002-7290-643X; Brooks, William/0000-0001-6161-3570; spagnolo, stefania/0000-0001-7482-6348; Ciubancan, Liviu Mihai/0000-0003-1837-2841; Tikhomirov, Vladimir/0000-0002-9634-0581; Gorelov, Igor/0000-0001-5570-0133; Gladilin, Leonid/0000-0001-9422-8636; Andreazza, Attilio/0000-0001-5161-5759; Carvalho, Joao/0000-0002-3015-7821; Mashinistov, Ruslan/0000-0001-7925-4676; Monzani, Simone/0000-0002-0479-2207; Vanadia, Marco/0000-0003-2684-276X; Ippolito, Valerio/0000-0001-5126-1620; Mora Herrera, Maria Clemencia/0000-0003-3915-3170; Maneira, Jose/0000-0002-3222-2738; Prokoshin, Fedor/0000-0001-6389-5399; KHODINOV, ALEKSANDR/0000-0003-3551-5808; Gauzzi, Paolo/0000-0003-4841-5822; Fabbri, Laura/0000-0002-4002-8353; Solodkov, Alexander/0000-0002-2737-8674; Zaitsev, Alexandre/0000-0002-4961-8368; Gonzalez de la Hoz, Santiago/0000-0001-5304-5390; Guo, Jun/0000-0001-8125-9433; Aguilar Saavedra, Juan Antonio/0000-0002-5475-8920; Leyton, Michael/0000-0002-0727-8107; Jones, Roger/0000-0002-6427-3513; Vranjes Milosavljevic, Marija/0000-0003-4477-9733; Perrino, Roberto/0000-0002-5764-7337; SULIN, VLADIMIR/0000-0003-3943-2495; Vykydal, Zdenek/0000-0003-2329-0672; Olshevskiy, Alexander/0000-0002-8902-1793; Solfaroli Camillocci, Elena/0000-0002-5347-7764 FU ANPCyT; Argentina; YerPhI 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, I- CORE and Benoziyo Center, Israel; INFN, Italy; MEXT and JSPS, Japan; CNRST, Morocco; FOM and NWO, Netherlands; BRF and RCN, Norway; MNiSW and NCN, Poland; GRICES and FCT, Portugal; MNE/ IFA, Romania; MES of Russia and ROSATOM, Russian Federation; JINR; MSTD, Serbia; MSSR, Slovakia; ARRS and MIZS, Slovenia; DST/ NRF, South Africa; MINECO, Spain; SRC andWallenberg Foundation, Sweden; SER, SNSF, and Cantons of Bern and Geneva, Switzerland; NSC, Taiwan; TAEK, Turkey; STFC, the Royal Society and Leverhulme Trust, United Kingdom; DOE and NSF, United States of America. 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 (USA) and in the Tier- 2 facilities worldwide. NR 29 TC 4 Z9 4 U1 7 U2 96 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 27 PY 2014 VL 89 IS 9 AR 092009 DI 10.1103/PhysRevD.89.092009 PG 25 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AI1YM UT WOS:000336651300001 ER PT J AU Zarecki, R Oberhardt, MA Yizhak, K Wagner, A Segal, ES Freilich, S Henry, CS Gophna, U Ruppin, E AF Zarecki, Raphy Oberhardt, Matthew A. Yizhak, Keren Wagner, Allon Segal, Ella Shtifman Freilich, Shiri Henry, Christopher S. Gophna, Uri Ruppin, Eytan TI Maximal Sum of Metabolic Exchange Fluxes Outperforms Biomass Yield as a Predictor of Growth Rate of Microorganisms SO PLOS ONE LA English DT Article ID GENOME-SCALE; ESCHERICHIA-COLI; ATP SYNTHESIS; BACTERIA; MODELS; OPTIMIZATION; OPTIMALITY; EXPRESSION; CONSTRAINT; PHENOTYPE AB Growth rate has long been considered one of the most valuable phenotypes that can be measured in cells. Aside from being highly accessible and informative in laboratory cultures, maximal growth rate is often a prime determinant of cellular fitness, and predicting phenotypes that underlie fitness is key to both understanding and manipulating life. Despite this, current methods for predicting microbial fitness typically focus on yields [e. g., predictions of biomass yield using GEnome-scale metabolic Models (GEMs)] or notably require many empirical kinetic constants or substrate uptake rates, which render these methods ineffective in cases where fitness derives most directly from growth rate. Here we present a new method for predicting cellular growth rate, termed SUMEX, which does not require any empirical variables apart from a metabolic network (i.e., a GEM) and the growth medium. SUMEX is calculated by maximizing the SUM of molar EXchange fluxes (hence SUMEX) in a genome-scale metabolic model. SUMEX successfully predicts relative microbial growth rates across species, environments, and genetic conditions, outperforming traditional cellular objectives (most notably, the convention assuming biomass maximization). The success of SUMEX suggests that the ability of a cell to catabolize substrates and produce a strong proton gradient enables fast cell growth. Easily applicable heuristics for predicting growth rate, such as what we demonstrate with SUMEX, may contribute to numerous medical and biotechnological goals, ranging from the engineering of faster-growing industrial strains, modeling of mixed ecological communities, and the inhibition of cancer growth. C1 [Zarecki, Raphy; Oberhardt, Matthew A.; Yizhak, Keren; Wagner, Allon; Ruppin, Eytan] Tel Aviv Univ, Sch Comp Sci, IL-69978 Tel Aviv, Israel. [Zarecki, Raphy; Oberhardt, Matthew A.; Yizhak, Keren; Wagner, Allon; Ruppin, Eytan] Tel Aviv Univ, Sackler Sch Med, IL-69978 Tel Aviv, Israel. [Oberhardt, Matthew A.; Segal, Ella Shtifman; Gophna, Uri] Tel Aviv Univ, Dept Mol Microbiol & Biotechnol, Fac Life Sci, IL-69978 Tel Aviv, Israel. [Freilich, Shiri] Agr Res Org, Newe Yaar Res Ctr, Ramat Yishay, Israel. [Henry, Christopher S.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Oberhardt, MA (reprint author), Tel Aviv Univ, Sch Comp Sci, IL-69978 Tel Aviv, Israel. EM mattoby@gmail.com; ruppin@post.tau.ac.il FU Whitaker Foundation; Dan David Fellowship; EU; Israeli Science Foundation (ISF); Israeli Centers of Research Excellence (I-CORE); McDonnell foundation; Israeli Ministry of Health; German-Israeli Project Cooperation (DIP) FX MO gratefully acknowledges funding from the Whitaker Foundation (Whitaker International Scholars Program) and the Dan David Fellowship; ER gratefully acknowledges support from the EU FP7 Microme project, the Israeli Science Foundation (ISF), the Israeli Centers of Research Excellence (I-CORE), and the McDonnell foundation. UG is supported by the McDonnell foundation, the Israeli Ministry of Health and the German-Israeli Project Cooperation (DIP). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 29 TC 3 Z9 3 U1 3 U2 23 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 27 PY 2014 VL 9 IS 5 AR e98372 DI 10.1371/journal.pone.0098372 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AI5NG UT WOS:000336914100054 PM 24866123 ER PT J AU Zhang, DP Chen, L Li, DH Lv, B Chen, Y Chen, JG Yan, XJ Liang, JS AF Zhang, Dongping Chen, Li Li, Dahong Lv, Bing Chen, Yun Chen, Jingui Yan, Xuejiao Liang, Jiansheng TI OsRACK1 Is Involved in Abscisic Acid- and H2O2-Mediated Signaling to Regulate Seed Germination in Rice (Oryza sativa, L.) SO PLOS ONE LA English DT Article ID ARABIDOPSIS SEED; DORMANCY ALLEVIATION; PROTEOMIC ANALYSIS; HYDROGEN-PEROXIDE; ABA CATABOLISM; RACK1; PROTEIN; GENE; BIOSYNTHESIS; NETWORKS AB The receptor for activated C kinase 1 (RACK1) is one member of the most important WD repeat-containing family of proteins found in all eukaryotes and is involved in multiple signaling pathways. However, compared with the progress in the area of mammalian RACK1, our understanding of the functions and molecular mechanisms of RACK1 in the regulation of plant growth and development is still in its infancy. In the present study, we investigated the roles of rice RACK1A gene (OsRACK1A) in controlling seed germination and its molecular mechanisms by generating a series of transgenic rice lines, of which OsRACK1A was either over-expressed or under-expressed. Our results showed that OsRACK1A positively regulated seed germination and negatively regulated the responses of seed germination to both exogenous ABA and H2O2. Inhibition of ABA biosynthesis had no enhancing effect on germination, whereas inhibition of ABA catabolism significantly suppressed germination. ABA inhibition on seed germination was almost fully recovered by exogenous H2O2 treatment. Quantitative analyses showed that endogenous ABA levels were significantly higher and H2O2 levels significantly lower in OsRACK1A-down regulated transgenic lines as compared with those in wildtype or OsRACK1A-up regulated lines. Quantitative real-time PCR analyses showed that the transcript levels of OsRbohs and amylase genes, RAmy1A and RAmy3D, were significantly lower in OsRACK1A-down regulated transgenic lines. It is concluded that OsRACK1A positively regulates seed germination by controlling endogenous levels of ABA and H2O2 and their interaction. C1 [Zhang, Dongping; Chen, Li; Lv, Bing; Chen, Yun; Yan, Xuejiao; Liang, Jiansheng] Yangzhou Univ, Coll Biosci & Biotechnol, Dept Biotechnol, Yangzhou, Jiangsu, Peoples R China. [Li, Dahong] Huanghuai Univ, Dept Biol Engn, Zhumadian City, Henan Province, Peoples R China. [Chen, Jingui] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP Liang, JS (reprint author), Yangzhou Univ, Coll Biosci & Biotechnol, Dept Biotechnol, Yangzhou, Jiangsu, Peoples R China. EM jsliang@yzu.edu.cn RI Chen, Jin-Gui/A-4773-2011 OI Chen, Jin-Gui/0000-0002-1752-4201 FU National Science Foundation of China [31271622]; Hi-Tech Research and Development Program ("863" project) from the Ministry of Science and Technology of China [2008AA10Z120]; College Postgraduate Research and Innovation Project in Jiangsu Province; University Innovation Training Program of Jiangsu Province FX This work was supported by the National Science Foundation of China (grant no: 31271622 to JSL) and the Hi-Tech Research and Development Program ("863" project) from the Ministry of Science and Technology of China (grant no: 2008AA10Z120 to JSL), and by the College Postgraduate Research and Innovation Project in Jiangsu Province (to DPZ) and University Innovation Training Program of Jiangsu Province (to SJY) for research. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 53 TC 9 Z9 10 U1 2 U2 34 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 27 PY 2014 VL 9 IS 5 AR e97120 DI 10.1371/journal.pone.0097120 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AI5NG UT WOS:000336914100011 PM 24865690 ER PT J AU Ghasempur, S Eswaramoorthy, S Hillerich, BS Seidel, RD Swaminathan, S Almo, SC Gerlt, JA AF Ghasempur, Salehe Eswaramoorthy, Subramaniam Hillerich, Brandan S. Seidel, Ronald D. Swaminathan, Subramanyam Almo, Steven C. Gerlt, John A. TI Discovery of a Novel L-Lyxonate Degradation Pathway in Pseudomonas aeruginosa PAO1 SO BIOCHEMISTRY LA English DT Article ID ENOLASE SUPERFAMILY; ENZYMATIC-ACTIVITIES; L-2-KETO-3-DEOXYARABONATE DEHYDRATASE; GALACTONATE DEHYDRATASE; DIVERGENT EVOLUTION; ESCHERICHIA-COLI; IDENTIFICATION; ACID; PROTEINS; FEATURES AB The L-lyxonate dehydratase (LyxD) in vitro enzymatic activity and in vivo metabolic function were assigned to members of an isofunctional family within the mandelate racemase (MR) subgroup of the enolase superfamily. This study combined in vitro and in vivo data to confirm that the dehydration of L-lyxonate is the biological role of the members of this family. In vitro kinetic experiments revealed catalytic efficiencies of similar to 10(4) M-1 s(-1) as previously observed for members of other families in the MR subgroup. Growth studies revealed that L-lyxonate is a carbon source for Pseudomonas aeruginosa PAO1; transcriptomics using qRT-PCR established that the gene encoding LyxD as well as several other conserved proximal genes were upregulated in cells grown on L-lyxonate. The proximal genes were shown to be involved in a pathway for the degradation of L-lyxonate, in which the first step is dehydration by LyxD followed by dehydration of the 2-keto-3-deoxy-L-lyxonate product by 2-keto-3-deoxy-L-lyxonate dehydratase to yield alpha-ketoglutarate semialdehyde. In the final step, alpha-ketoglutarate semialdehyde is oxidized by a dehydrogenase to alpha-ketoglutarate, an intermediate in the citric acid cycle. An X-ray structure for the LyxD from Labrenzia aggregata IAM 12614 with Mg2+ in the active site was determined that confirmed the expectation based on sequence alignments that LyxDs possess a conserved catalytic His-Asp dyad at the end of seventh and sixth beta-strands of the (beta/alpha)(7)beta-barrel domain as well as a conserved KxR motif at the end of second beta-strand; substitutions for His 316 or Arg 179 inactivated the enzyme. This is the first example of both the LyxD function in the enolase superfamily and a pathway for the catabolism of L-lyxonate. C1 [Ghasempur, Salehe; Gerlt, John A.] Univ Illinois, Dept Biochem, Urbana, IL 61801 USA. [Gerlt, John A.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Ghasempur, Salehe; Gerlt, John A.] Univ Illinois, Inst Genom Biol, Urbana, IL 61801 USA. [Hillerich, Brandan S.; Seidel, Ronald D.; Almo, Steven C.] Albert Einstein Coll Med, Dept Biochem, Bronx, NY 10461 USA. [Eswaramoorthy, Subramaniam; Swaminathan, Subramanyam] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. RP Gerlt, JA (reprint author), Univ Illinois, Inst Genom Biol, 1206 W Gregory Dr, Urbana, IL 61801 USA. EM j-gerlt@illinois.edu FU US National Institutes of Health [P01GM071790, U54GM074945, U54GM094662] FX This research was supported by a program project grant and two cooperative agreements from the US National Institutes of Health (P01GM071790, U54GM074945, and U54GM094662). NR 28 TC 0 Z9 0 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD MAY 27 PY 2014 VL 53 IS 20 BP 3357 EP 3366 DI 10.1021/bi5004298 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AI1SY UT WOS:000336636300012 PM 24831290 ER PT J AU Kim, SB Sinsermsuksakul, P Hock, AS Pike, RD Gordon, RG AF Kim, Sang Bok Sinsermsuksakul, Prasert Hock, Adam S. Pike, Robert D. Gordon, Roy G. TI Synthesis of N-Heterocyclic Stannylene (Sn(II)) and Germylene (Ge(II)) and a Sn(II) Amidinate and Their Application as Precursors for Atomic Layer Deposition SO CHEMISTRY OF MATERIALS LA English DT Article ID MONOSULFIDE THIN-FILMS; RANDOM-ACCESS MEMORY; SOLAR-CELLS; DEVICE CHARACTERISTICS; TIN-OXIDE; SULFIDE; GROWTH; CHEMISTRY; GLASS; ALD AB Thin films containing germanium or tin have a great variety of current and potential applications, particularly their oxides or chalcogenides. Chemical vapor deposition (CVD) and atomic layer deposition (ALD) are popular ways to make these thin films conformally even on challenging nanostructured substrates. The success of these processes depends on having precursors that are sufficiently stable, volatile, and reactive. In this paper we optimize the syntheses of the following three precursors: 1 and 2 are racemic Ge(II) or Sn(II) cyclic amides made from N-2,N-3-di-tert-butylbutane-2,3-diamine, and 3 is bis(N,N'-diisopropylacetamidinato)tin-(II). All three compounds are demonstrated to be effective precursors for ALD of their monosulfides, GeS or SnS, by reaction with H2S. 2 has also been reported previously to make polycrystalline SnO2 by ALD with oxidizing agents such as H2O2. The cyclic amides 1 and 2 are more volatile than the amidinate 3, vaporizing sufficiently for ALD even at precursor temperatures below 40 degrees C, whereas 3 vaporizes at temperatures over 90 degrees C. 1 and 2 can thus be used at lower substrate temperatures than 3. GeS or SnS can be deposited on substrates even at temperatures below 50 degrees C, while ALD of SnS from 3 becomes slow below substrate temperatures of 100 degrees C because of insufficient vapor pressure. The amount of growth per ALD cycle is higher for the cyclic amide 2 than for the amidinate 3. The GeS films are smooth and amorphous, while the SnS films are polycrystalline and granular. All of these films are uniformly thick inside holes with aspect ratios (depth/diameter) greater than 40:1. C1 [Kim, Sang Bok; Sinsermsuksakul, Prasert; Gordon, Roy G.] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA. [Pike, Robert D.] Coll William & Mary, Dept Chem, Williamsburg, VA 23187 USA. [Hock, Adam S.] IIT, Dept Biol & Chem Sci, Chicago, IL 60616 USA. [Hock, Adam S.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Gordon, RG (reprint author), Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA. EM gordon@chemistry.harvard.edu RI Hock, Adam/D-7660-2012 OI Hock, Adam/0000-0003-1440-1473 FU U.S. National Science Foundation under NSF [CBET-1032955]; U.S. Department of Energy SunShot Initiative [DEEE0005329]; Camille and Henry Dreyfus Foundation; National Science Foundation under NSF [ECS-0335765] FX This work was supported by the U.S. National Science Foundation under NSF Award No. CBET-1032955, the U.S. Department of Energy SunShot Initiative under Contract No. DEEE0005329. ASH acknowledges the Camille and Henry Dreyfus Foundation for support as an Environmental Chemistry Postdoctoral Fellow. This work was performed in part at Harvard University's Center for Nanoscale Systems (CNS), a member of the National Nanotechnology Infrastructure Network (NNIN), which is supported by the National Science Foundation under NSF Award No. ECS-0335765. NR 57 TC 13 Z9 13 U1 10 U2 58 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD MAY 27 PY 2014 VL 26 IS 10 BP 3065 EP 3073 DI 10.1021/cm403901y PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AI1TF UT WOS:000336637000007 ER PT J AU Park, JS Meng, XB Elam, JW Hao, SQ Wolverton, C Kim, C Cabana, J AF Park, Joong Sun Meng, Xiangbo Elam, Jeffrey W. Hao, Shiqiang Wolverton, Christopher Kim, Chunjoong Cabana, Jordi TI Ultrathin Lithium-Ion Conducting Coatings for Increased Interfacial Stability in High Voltage Lithium-Ion Batteries SO CHEMISTRY OF MATERIALS LA English DT Article ID ATOMIC LAYER DEPOSITION; CATHODE MATERIALS; SURFACE; SPINEL; ELECTRODE; DISSOLUTION; DISCOVERY; BEHAVIOR; METALS; ANODES AB Ultrathin conformal coatings of the lithium ion conductor, lithium aluminum oxide (LiAlO2), were evaluated for their ability to improve the electrochemical stability of LiNi0.5Mn1.5O4/graphite Li-ion batteries. Electrochemical impedance spectroscopy confirmed the ion conducting character of the LiAlO2 films. Complementary simulations of the activation barriers in these layers match experimental results very well. LiAlO2 films were subsequently separately deposited onto LiNi0.5Mn1.5O4 and graphite electrodes. Increased electrochemical stability was observed, especially in the full cells, which was attributed to the role of the coatings as physical barriers against side reactions at the electrode-electrolyte interface. By comparing data from full cells where the coatings were applied to either electrode, the dominating failure mechanism was found to be the diffusion of transition metal ions from the cathode to the anode. The LiNi0.5Mn1.5O4/graphite full cell with less than 1 nm LiAlO2 on the positive electrode exhibited a discharge capacity of 92 mAh/g at C/3 rate. The chemical underpinnings of stable performance were revealed by soft X-ray absorption spectroscopy. First, both manganese and nickel were detected on the graphite electrode surfaces, and their oxidation states were determined as +2. Second, the ultrathin coatings on the anode alone were found to be sufficient to significantly reduce this deleterious process. C1 [Park, Joong Sun; Kim, Chunjoong; Cabana, Jordi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Park, Joong Sun] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Meng, Xiangbo; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Hao, Shiqiang; Wolverton, Christopher] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Kim, Chunjoong; Cabana, Jordi] Univ Illinois, Dept Chem, Chicago, IL 60607 USA. RP Kim, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM ckim0218@uic.edu; jcabana@uic.edu RI Wolverton, Christopher/B-7542-2009; Cabana, Jordi/G-6548-2012; OI Cabana, Jordi/0000-0002-2353-5986; Meng, Xiangbo/0000-0002-4631-7260 FU Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231]; Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center - US Department of Energy, Office of Science, Office of Basic Energy Sciences FX J.S.P., C.K., and J.C. were 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. X.M., J.W.E., S.H., and C.W. were supported as part of the Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. The authors are thankful to Dr. Alpesh K. Shukla for valuable discussions, Drs. Yanbao Fu and Vincent S. Battaglia (LBNL) and Hydro-Quebec for supplying the electrodes used for full cell assembly in this work, and Dr. Dennis Nordlund (SSRL) for technical support during the XAS measurements. 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. NR 38 TC 38 Z9 38 U1 20 U2 189 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD MAY 27 PY 2014 VL 26 IS 10 BP 3128 EP 3134 DI 10.1021/cm500512n PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AI1TF UT WOS:000336637000015 ER PT J AU Zhang, JY Yan, Y Chen, JH Chance, WM Hayat, J Gai, Z Tang, CB AF Zhang, Jiuyang Yan, Yi Chen, Jihua Chance, W. Michael Hayat, Jeffery Gai, Zheng Tang, Chuanbing TI Nanostructured Metal/Carbon Composites from Heterobimetallic Block Copolymers with Controlled Magnetic Properties SO CHEMISTRY OF MATERIALS LA English DT Article ID FILLED CARBON NANOTUBES; ALLOY NANOPARTICLES; THIN-FILMS; PYROLYSIS; NANOWIRES; PRECURSOR; POLYMERS; NANOCRYSTALS; NANOCARBONS; FERROCENE AB We reported the utilization of a series of heterobimetallic diblock copolymers to prepare different iron cobalt/carbon and iron-cobalt phosphide/carbon magnetic materials. Through the control of compositions of ferrocene- and cobaltocenium-containing blocks, a transition of final inorganic materials from metal phosphide to metal alloy was observed. These metal elements were embedded on amorphous carbon films or encapsulated in crystallized multiwalled carbon nanotubes. Detailed magnetic characterization showed that all these inorganic materials were ferromagnetic under room temperature with great difference in their magnetic susceptibilities. The saturated magnetization was related with the weight fraction of phosphorus and cobalt, indicating the ability to control the magnetization of these inorganic materials via polymer compositions. C1 [Zhang, Jiuyang; Yan, Yi; Chance, W. Michael; Hayat, Jeffery; Tang, Chuanbing] Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. [Chen, Jihua; Gai, Zheng] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Gai, Z (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM gaiz@ornl.gov; tang4@mailbox.sc.edu RI Gai, Zheng/B-5327-2012; Chen, Jihua/F-1417-2011; yan, Yi/H-2285-2012; Yan, Yi/A-9071-2015; Zhang, Jiuyang/H-2195-2016 OI Gai, Zheng/0000-0002-6099-4559; Chen, Jihua/0000-0001-6879-5936; Yan, Yi/0000-0003-4119-9047; FU Oak Ridge National Laboratory by the Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. Department of Energy FX We would like to acknowledge the National Science Foundation (CHE-1151479). A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. Department of Energy. NR 53 TC 14 Z9 14 U1 6 U2 84 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD MAY 27 PY 2014 VL 26 IS 10 BP 3185 EP 3190 DI 10.1021/cm5007058 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AI1TF UT WOS:000336637000022 ER PT J AU Samal, SL Pandey, A Johnston, DC Corbett, JD Miller, GJ AF Samal, Saroj L. Pandey, Abhishek Johnston, David C. Corbett, John D. Miller, Gordon J. TI Taking Advantage of Gold's Electronegativity in R4Mn3-xAu10+x (R = Gd or Y; 0.2 <= x <= 1) SO CHEMISTRY OF MATERIALS LA English DT Article ID SODIUM; SYSTEM; AU; SUBSTITUTION; COMPOUND; TUNNELS; PHASES AB Ternary R4Mn3-xAu10+x (R = Gd or Y; 0.2 <= x <= 1) compounds have been synthesized and characterized using single-crystal X-ray diffraction. The structure is a ternary variant of orthorhombic Zr7Ni10 (oC68, space group Cmca) and is isostnictural with Ca4In3Au10. The structure contains layers of Mn-centered rectangular prisms of gold (Mn@Au-8), interbonded via Au atoms in the b-c plane, and stacked in a hexagonal close packed arrangement along the a direction. These layers are bonded via additional Mn atoms along the a direction. The rare-earth metals formally act as cations and fill the rest of the space. The structure could also be described as sinusoidal layers of gold atoms, which are interconnected through Au-Au bonds. The magnetic characteristics of both compounds reveal the presence of nearly localized Mn magnetic moments. Magnetization M measurements of Y4Mn2.8Au10.2 versus temperature T and applied magnetic field H demonstrate the dominance of antiferromagnetic (AFM) interactions in this compound and indicate the occurrence of noncollinear AFM ordering at T-N1 = 70 K and a spin reorientation transition at T-N2 = 48 K. For the Gd analogue Gd4Mn2.8Au10.2, the M(H,T) data instead indicate the dominance of ferromagnetic interactions and suggest a ferrimagnetic transition at T-C approximate to 70 K for which two potential ferrimagnetic structures are suggested. Linear muffin-tin orbital calculations on the stoichiometric composition "Y4Mn3Au10" using the local spin density approximation indicate a similar to 1 eV splitting of the Mn 3d states with nearly filled majority spin states and partially filled minority spin states at the Fermi level resulting in approximately four unpaired electrons per Mn atom in the metallic ground state. The crystal orbital Hamilton population analyses demonstrate that similar to 94% of the total Hamilton populations originate from Au-Au and polar Mn-Au and Y-Au bonding. C1 [Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Samal, Saroj L.; Corbett, John D.; Miller, Gordon J.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Johnston, David C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Miller, GJ (reprint author), Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. EM gmiller@iastate.edu RI Pandey, Abhishek /M-5679-2015 OI Pandey, Abhishek /0000-0003-2839-1720 FU U.S. Department of Energy (USDOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; USDOE [DE-AC02-07CH11358] FX This research was supported by the U.S. Department of Energy (USDOE), Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. Ames Laboratory is operated for the USDOE by Iowa State University under Contract DE-AC02-07CH11358. NR 33 TC 3 Z9 3 U1 1 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD MAY 27 PY 2014 VL 26 IS 10 BP 3209 EP 3218 DI 10.1021/cm500871c PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AI1TF UT WOS:000336637000025 ER PT J AU Ma, J Zhou, YN Gao, YR Yu, XQ Kong, QY Gu, L Wang, ZX Yang, XQ Chen, LQ AF Ma, Jun Zhou, Yong-Ning Gao, Yurui Yu, Xiqian Kong, Qingyu Gu, Lin Wang, Zhaoxiang Yang, Xiao-Qing Chen, Liquan TI Feasibility of Using Li2MoO3 in Constructing Li-Rich High Energy Density Cathode Materials SO CHEMISTRY OF MATERIALS LA English DT Article ID LITHIUM-ION BATTERIES; RAY-ABSORPTION SPECTROSCOPY; STATE REDOX REACTIONS; MO K-EDGE; HIGH-CAPACITY; RATE CAPABILITY; CO ELECTRODES; OXYGEN LOSS; LI2MNO3; CELLS AB Layer-structured xLi(2)MnO(3)center dot(1 - x)LiMO2 are promising cathode materials for high energy-density Li-ion batteries because they deliver high capacities due to the stabilizing effect of Li2MnO3. However, the inherent disadvantages of Li2MnO3 make these materials suffer from drawbacks such as fast energy-density decay, poor rate performance and safety hazard. In this paper, we propose to replace Li2MnO3 with Li2MoO3 for constructing novel Li-rich cathode materials and evaluate its feasibility. Comprehensive studies by X-ray diffraction, X-ray absorption spectroscopy, and spherical-aberration-corrected scanning transmission electron microscopy clarify its lithium extraction/insertion mechanism and shows that the Mo4+/Mo6+ redox couple in Li2MoO3 can accomplish the task of charge compensation upon Li removal. Other properties of Li2MoO3 such as the nearly reversible Mo-ion migration to/from the Li vacancies, absence of oxygen evolution, and reversible phase transition during initial (de)lithiation indicate that Li2MoO3 meets the requirements to an ideal replacement of Li2MnO3 in constructing Li2MoO3-based Li-rich cathode materials with superior performances. C1 [Ma, Jun; Gao, Yurui; Wang, Zhaoxiang; Chen, Liquan] Chinese Acad Sci, Key Lab Renewable Energy, Beijing 100190, Peoples R China. [Ma, Jun; Gao, Yurui; Wang, Zhaoxiang; Chen, Liquan] Chinese Acad Sci, Beijing Key Lab New Energy Mat & Devices, Beijing 100190, Peoples R China. [Ma, Jun; Gao, Yurui; Wang, Zhaoxiang; Chen, Liquan] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Ma, Jun; Gao, Yurui; Wang, Zhaoxiang; Chen, Liquan] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Zhou, Yong-Ning; Yu, Xiqian; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Kong, Qingyu] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Gu, Lin] Chinese Acad Sci, Lab Adv Mat & Elect Microscopy, Beijing Natl Lab Condensed Matter Phys, Inst Phys, Beijing 100190, Peoples R China. RP Kong, QY (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM qkong@aps.anl.gov; zxwang@iphy.ac.cn; xyang@bn-l.gov RI Gu, Lin/D-9631-2011; Zhou, Yong-Ning/I-9579-2014; Yu, Xiqian/B-5574-2014 OI Gu, Lin/0000-0002-7504-031X; Yu, Xiqian/0000-0001-8513-518X FU National Natural Science Foundation of China (NSFC) [51372268]; National 973 Program of China [2009CB220100]; U.S. Department of Energy; Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies [DEAC02-98CH10886] FX This work was financially supported by the National Natural Science Foundation of China (NSFC No. 51372268) and the National 973 Program of China (2009CB220100). The work at Brookhaven National Laboratory was supported by the U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies under Contract No. DEAC02-98CH10886. The authors acknowledge technical supports by the beamline scientists at X14A of NSLS and beamline scientists at 12BM of Advanced Photon Sources at Argonne National Laboratory. NR 44 TC 30 Z9 31 U1 19 U2 233 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD MAY 27 PY 2014 VL 26 IS 10 BP 3256 EP 3262 DI 10.1021/cm501025r PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AI1TF UT WOS:000336637000030 ER PT J AU Liu, J Chang, DH Whitfield, P Janssen, Y Yu, XQ Zhou, YN Bai, JM Ko, J Nam, KW Wu, LJ Zhu, YM Feygenson, M Amatucci, G Van der Ven, A Yang, XQ Khalifah, P AF Liu, Jue Chang, Donghee Whitfield, Pamela Janssen, Yuri Yu, Xiqian Zhou, Yongning Bai, Jianming Ko, Jonathan Nam, Kyung-Wan Wu, Lijun Zhu, Yimei Feygenson, Mikhail Amatucci, Glenn Van der Ven, Anton Yang, Xiao-Qing Khalifah, Peter TI Ionic Conduction in Cubic Na3TiP3O9N, a Secondary Na-Ion Battery Cathode with Extremely Low Volume Change SO CHEMISTRY OF MATERIALS LA English DT Article ID ELECTROCHEMICAL-BEHAVIOR; THERMAL-STABILITY; CRYSTAL-STRUCTURE; ENERGY-STORAGE; BOND VALENCE; SYSTEMS; FLUOROPHOSPHATE; ELECTRODE; PATHWAYS; NITRIDOPHOSPHATES AB It is demonstrated that Na ions are mobile at room temperature in the nitridophosphate compound Na3TiP3O9N, with a diffusion pathway that is calculated to be fully three-dimensional and isotropic. When used as cathode in Na-ion batteries, Na3TiP3O9N has an average voltage of 2.7 V vs Na+/Na and cycles with good reversibility through a mechanism that appears to be a single solid solution process without any intermediate plateaus. X-ray and neutron diffraction studies as well as first-principles calculations indicate that the volume change that occurs on Na-ion removal is only about 0.5%, a remarkably small volume change given the large ionic radius of Na+ Rietveld refinements indicate that the Na1 site is selectively depopulated during sodium removal. Furthermore, the refined displacement parameters support theoretical predictions that the lowest energy diffusion pathway incorporates the Na1 and Na3 sites while the Na2 site is relatively inaccessible. The measured room temperature ionic conductivity of Na3TiP3O9N is substantial (4 X 10(-7) S/cm), though both the strong temperature dependence of Na-ion thermal parameters and the observed activation energy of 0.54 eV suggest that much higher ionic conductivities can be achieved with minimal heating. Excellent thermal stability is observed for both pristine Na3TiP3O9N and desodiated Na2TiP3O9N, suggesting that this phase can serve as a safe Na-ion battery electrode. Moreover, it is expected that further optimization of the general cubic framework of Na3TiP3O9N by chemical substitution will result in thermostable solid state electrolytes with isotropic conductivities that can function at temperatures near or just above room temperature. C1 [Liu, Jue; Janssen, Yuri; Khalifah, Peter] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Chang, Donghee; Van der Ven, Anton] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. [Whitfield, Pamela; Feygenson, Mikhail] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37830 USA. [Yu, Xiqian; Zhou, Yongning; Nam, Kyung-Wan; Yang, Xiao-Qing; Khalifah, Peter] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Bai, Jianming] Brookhaven Natl Lab, Photon Sci Div, Upton, NY 11973 USA. [Ko, Jonathan; Amatucci, Glenn] Rutgers State Univ, Dept Mat Sci & Engn, Energy Storage Res Grp, North Brunswick, NJ 08902 USA. [Van der Ven, Anton] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Wu, Lijun; Zhu, Yimei] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Khalifah, P (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM kpete@bnl.gov RI Feygenson, Mikhail /H-9972-2014; Zhou, Yong-Ning/I-9579-2014; LIU, JUE/J-6463-2014; Nam, Kyung-Wan/B-9029-2013; Nam, Kyung-Wan/E-9063-2015; Bai, Jianming/O-5005-2015; Yu, Xiqian/B-5574-2014; Whitfield, Pamela/P-1885-2015; LIU, JUE/I-8631-2016 OI Feygenson, Mikhail /0000-0002-0316-3265; LIU, JUE/0000-0003-1834-0356; Nam, Kyung-Wan/0000-0001-6278-6369; Nam, Kyung-Wan/0000-0001-6278-6369; Yu, Xiqian/0000-0001-8513-518X; Whitfield, Pamela/0000-0002-6569-1143; LIU, JUE/0000-0002-4453-910X FU Northeastern Center for Chemical Energy Storage (NECCES), an Energy Frontier Research Center - U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0001294]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX Research supported as part of the Northeastern Center for Chemical Energy Storage (NECCES), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Basic Energy Sciences under Award DE-SC0001294, including matching support from NYSTAR-NYSDED. This research utilized the facilities 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. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Research conducted at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. M. Dawber and J. Sinsheimer are thanked for use of their instrumentation and guidance in the collection of impedance spectroscopy data. P.K. would like to acknowledge the support and guidance provided by the EFRC directors and Intercalation Thrust Leaders, C. P. Grey and M. S. Whittingham, as well as discussions on oxynitrides with G. Ceder. The authors thank the NSLS beamline scientists at X7B and X19A for their technical support. NR 60 TC 14 Z9 14 U1 5 U2 82 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD MAY 27 PY 2014 VL 26 IS 10 BP 3295 EP 3305 DI 10.1021/cm5011218 PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AI1TF UT WOS:000336637000035 ER PT J AU Wang, W Yang, SH Hunsinger, GB Pienkos, PT Johnson, DK AF Wang, Wei Yang, Shihui Hunsinger, Glendon B. Pienkos, Philip T. Johnson, David K. TI Connecting lignin-degradation pathway with pre-treatment inhibitor sensitivity of Cupriavidus necator SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE Cupriavidus necator; pre-treatment inhibitor; saccharified slurry; deacetylation; lignin degradation; biofuel; polyhydroxylbutyrate (PHB); genomics ID RALSTONIA-EUTROPHA H16; ETHANOLOGENIC ESCHERICHIA-COLI; SACCHAROMYCES-CEREVISIAE; GENOME SEQUENCE; POLYHYDROXYALKANOATE PRODUCTION; ACETIC-ACID; TOLERANCE; DETOXIFICATION; BACTERIUM; FERMENTATION AB To produce lignocellulosic biofuels economically, the complete release of monomers from the plant cell wall components, cellulose, hemicellulose, and lignin, through pre-treatment and hydrolysis (both enzymatic and chemical), and the efficient utilization of these monomers as carbon sources, is crucial. In addition, the identification and development of robust microbial biofuel production strains that can tolerate the toxic compounds generated during pre-treatment and hydrolysis is also essential. In this work, Cupriavidus necator was selected due to its capabilities for utilizing lignin monomers and producing polyhydroxylbutyrate (PHB), a bioplastic as well as an advanced biofuel intermediate. We characterized the growth kinetics of C. necator in pre-treated corn stover slurry as well as individually in the pre-sence of 11 potentially toxic compounds in the saccharified slurry. We found that C. necator was sensitive to the saccharified slurry produced from dilute acid pre-treated corn stover. Five out of 11 compounds within the slurry were characterized as toxic to C. necator, namely ammonium acetate, furfural, hydroxymethylfurfural (H ME), benzoic acid, and p-coumaric acid. Aldehydes (e.g., furfural and HMF) were more toxic than the acetate and the lignin degradation products benzoic acid and p-coumaric acid; furfural was identified as the most toxic compound. Although toxic to C. necator at high concentration, ammonium acetate, benzoic acid, and p-coumaric acid could be utilized by C. necator with a stimulating effect on C. necator growth. Consequently, the lignin degradation pathway of C. necator was reconstructed based on genomic information and literature. The efficient conversion of intermediate catechol to downstream products of cis,cis-muconate or 2-hydroxymuconate-6-semialdehyde may help improve the robustness of C. necator to benzoic acid and p-coumaric acid as well as improve PHB productivity. C1 [Wang, Wei; Johnson, David K.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO USA. [Yang, Shihui; Hunsinger, Glendon B.; Pienkos, Philip T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO USA. RP Wang, W (reprint author), 15013 Denver West Pkwy, Golden, CO 80401 USA. EM wei.wang@nrel.gov; shihui.yang@nrel.gov OI Yang, Shihui/0000-0002-9394-9148 FU US Department of Energy, Bioenergy Technology Office (BETO) [AC36-08-GO28308] FX This work was supported by the US Department of Energy, Bioenergy Technology Office (BETO) under contract number DE-AC36-08-GO28308 to NREL. NREL is a national laboratory of the US Department of Energy, Office of Energy Efficiency and Renewable Energy, operated by the Alliance for Sustainable Energy, LLC. We thank Michael Guarnieri and Thieny Trinh for preliminary toxicity experiments with C. necator, Ashutosh Mittal and William E. Michener for PHB and GC/MS analyses. NR 56 TC 6 Z9 6 U1 4 U2 28 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD MAY 27 PY 2014 VL 5 AR 247 DI 10.3389/fmicb.2014.00247 PG 10 WC Microbiology SC Microbiology GA AI2BD UT WOS:000336660800001 PM 24904560 ER PT J AU Kidd, TE O'Shea, A Beck, B He, R Delaney, C Shand, PM Strauss, LH Stollenwerk, A Hurley, N Spurgeon, K Gu, G AF Kidd, Timothy E. O'Shea, Aaron Beck, Benjamin He, Rui Delaney, Conor Shand, Paul M. Strauss, Laura H. Stollenwerk, Andrew Hurley, Noah Spurgeon, Kyle Gu, Genda TI Universal Method for Creating Optically Active Nanostructures on Layered Materials SO LANGMUIR LA English DT Article ID ATOMIC-FORCE MICROSCOPY; ELECTRON-BEAM; CARBON NANOTUBES; DICHALCOGENIDES; INTERCALATION; FABRICATION; ROUTE AB The ability to form patterned surface nanostructures has revolutionized the miniaturization of electronics and led to the discovery of emergent behaviors unseen in macroscopic systems. However, the creation of such nanostructures typically requires multiple processing steps, a high level of technical expertise, and highly sophisticated equipment. In this work, we have discovered a simple method to create nanostructures with control size and positioning in a single processing step using a standard scanning electron microscope. The technique can be applied to a wide range of systems and was successful in every layered material tested. Patterned nanostructures were formed on graphite, topological insulators, novel superconductors, and layered transition metal dichalcogenides. The nanostructures were formed via the incorporation of carbon nanoparticles into the samples in a novel form of intercalation. It appears that the electron beam interacts with residual organic molecules available on the sample surface, making it possible for them to intercalate between the layers in their crystal structure and break down into carbon. These carbon nanoparticles have strong broad-wavelength interactions in the visible light range, making these nanostructures easily detectable in an optical microscope and of interest for a range of nanoscale electro-optical devices. C1 [Kidd, Timothy E.; O'Shea, Aaron; Beck, Benjamin; He, Rui; Delaney, Conor; Shand, Paul M.; Stollenwerk, Andrew; Hurley, Noah; Spurgeon, Kyle] Univ No Iowa, Dept Phys, Cedar Falls, IA 50614 USA. [Strauss, Laura H.] Univ No Iowa, Dept Chem & Biochem, Cedar Falls, IA 50614 USA. [Gu, Genda] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Kidd, TE (reprint author), Univ No Iowa, Dept Phys, Cedar Falls, IA 50614 USA. EM tim.kidd@uni.edu FU NSF [DMR-1206530]; DOE [DE-AC02-98CH10886]; University of Northern Iowa; Iowa NASA EPSCoR [NNX09AO66A]; UNI Provost's Pre-Tenure Summer Fellowship Award; American Chemical Society Petroleum Research Fund [53401-UNI10] FX This work was supported by NSF Grant No. DMR-1206530, and DOE at DE-AC02-98CH10886. Funding was also provided by the University of Northern Iowa in summer fellowships for T.K. and R.H. as well as a UNI PDA for T.K. T.K. and R.H. also acknowledge support from Iowa NASA EPSCoR under Grant No. NNX09AO66A. R.H. also acknowledges support from a UNI Provost's Pre-Tenure Summer Fellowship Award and donors of The American Chemical Society Petroleum Research Fund Grant No. 53401-UNI10 for partial support. NR 30 TC 1 Z9 1 U1 1 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD MAY 27 PY 2014 VL 30 IS 20 BP 5939 EP 5945 DI 10.1021/la501013x PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AI1UW UT WOS:000336641700031 PM 24793140 ER PT J AU Ramirez-Hernandez, A Suh, HS Nealey, PF de Pablo, JJ AF Ramirez-Hernandez, Abelardo Suh, Hyo Seon Nealey, Paul F. de Pablo, Juan J. TI Control of Directed Self-Assembly in Block Polymers by Polymeric Topcoats SO MACROMOLECULES LA English DT Article ID COPOLYMER THIN-FILMS; MONTE-CARLO SIMULATIONS; SYMMETRIC DIBLOCK COPOLYMERS; ORDER-DISORDER TRANSITION; PATTERNED SURFACES; DENSITY MULTIPLICATION; NANOPATTERNED SURFACES; LITHOGRAPHY; MELTS; FABRICATION AB The morphology of a block copolymer thin film is particularly sensitive to its boundary conditions. Lithographic applications of block polymers in the microelectronics and memory device industries require formation of morphologies with perpendicularly oriented domains. Current fabrication targets envisage the creation of dense arrays of structures with domain sizes in the sub-10 nm regime. Such length scales can be reached by resorting to block polymers with highly incompatible blocks (and a large Flory-Huggins parameter, chi). High chi values, however, generally lead to large differences in the surface energies of the corresponding blocks, thereby interfering with formation of the sought-after perpendicularly oriented domains. In this work, a coarse grain model is used to develop a topcoat strategy that enables control of the orientation of block copolymer domains in highly incompatible block polymer materials. A systematic study of a wide range of polymeric material combinations is presented, and the conditions leading to optimal assembly of perpendicular morphologies are clearly identified. We consider the effect of molecular weight, block polymer film thickness and architecture, and degree of incompatibility. Our results are summarized in the form of generic phase diagrams that should serve as a guide for experimental deployment of the topcoat strategy put forth in this work. C1 [Ramirez-Hernandez, Abelardo; Suh, Hyo Seon; Nealey, Paul F.; de Pablo, Juan J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Ramirez-Hernandez, Abelardo; Suh, Hyo Seon; Nealey, Paul F.; de Pablo, Juan J.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. RP de Pablo, JJ (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 South Cass Ave, Argonne, IL 60439 USA. EM depablo@uchicago.edu RI Ramirez-Hernandez, Abelardo/A-1717-2011 OI Ramirez-Hernandez, Abelardo/0000-0002-3569-5223 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences-Materials Science [DE-AC02-06CH11357]; Semiconductor Research Corporation FX The calculations in this work were completed with resources provided by the University of Chicago Research Computing Center. This work was supported by US Department of Energy, Office of Science, Office of Basic Energy Sciences-Materials Science, under Contract DE-AC02-06CH11357 and by the Semiconductor Research Corporation. NR 56 TC 22 Z9 22 U1 7 U2 98 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 EI 1520-5835 J9 MACROMOLECULES JI Macromolecules PD MAY 27 PY 2014 VL 47 IS 10 BP 3520 EP 3527 DI 10.1021/ma500411q PG 8 WC Polymer Science SC Polymer Science GA AI1VM UT WOS:000336643300031 ER PT J AU Lu, YM Lee, DH AF Lu, Yuan-Ming Lee, Dung-Hai TI Spin quantum Hall effects in featureless nonfractionalized spin-1 magnets SO PHYSICAL REVIEW B LA English DT Article ID VALENCE-BOND; STATES; LIQUIDS; FIELD AB The Affleck-Kennedy-Lieb-Tasaki state (or Haldane phase) in a spin-1 chain represents a large class of gapped topological paramagnets that host symmetry-protected gapless excitations on the boundary. In this work, we show how to realize this type of featureless spin-1 state on a generic two-dimensional lattice. These states have a gapped spectrum in the bulk, but they support gapless edge states protected by spin rotational symmetry along a certain direction, and they exhibit the spin quantum Hall effect. Using a fermion representation of integer spins, we show a concrete example of such spin-1 topological paramagnets on a kagome lattice, and we suggest a microscopic spin-1 Hamiltonian that may realize it. C1 [Lu, Yuan-Ming; Lee, Dung-Hai] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Lu, Yuan-Ming; Lee, Dung-Hai] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Lu, YM (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Lu, Yuan-Ming/D-7554-2017 OI Lu, Yuan-Ming/0000-0001-6275-739X FU DOE [DE-AC02-05CH11231]; National Science Foundation [NSF PHY11-25915] FX Y.M.L. thanks Ashvin Vishwanath for helpful discussions, and Kavli Institute for Theoretical Physics, where part of this work was finished during the 2012 program "Frustrated Magnetism and Quantum Spin Liquids," for their hospitality. We acknowledge the support from DOE Grant No. DE-AC02-05CH11231 (Y.M.L., D.H.L.) and in part by the National Science Foundation under Grant No. NSF PHY11-25915 (Y.M.L.). NR 38 TC 12 Z9 12 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 27 PY 2014 VL 89 IS 18 AR 184417 DI 10.1103/PhysRevB.89.184417 PG 6 WC Physics, Condensed Matter SC Physics GA AI1YC UT WOS:000336650100003 ER PT J AU Ristivojevic, Z Matveev, KA AF Ristivojevic, Zoran Matveev, K. A. TI Decay of Bogoliubov quasiparticles in a nonideal one-dimensional Bose gas SO PHYSICAL REVIEW B LA English DT Article ID TONKS-GIRARDEAU GAS; MANY-BODY SYSTEM; LUTTINGER LIQUID; QUANTUM LIQUIDS; ULTRACOLD GASES AB We study the relaxation of excitations in a system of one-dimensional weakly interacting bosons. Due to residual weak interactions, Bogoliubov quasiparticles in this system have finite lifetimes. As a result of the conservation laws in one dimension, at zero temperature the leading mechanism of decay of a quasiparticle is disintegration into three others. We focus on phonon quasiparticles and find that their decay rate is proportional to the seventh power of momentum. In the integrable case of contact interaction between the bosons, the decay rate vanishes. C1 [Ristivojevic, Zoran] Ecole Polytech, CNRS, Ctr Phys Theor, F-91128 Palaiseau, France. [Matveev, K. A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Ristivojevic, Z (reprint author), Ecole Polytech, CNRS, Ctr Phys Theor, F-91128 Palaiseau, France. FU PALM Labex; U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division FX We acknowledge stimulating discussions with L.I. Glazman and M. Pustilnik. Z.R. acknowledges the hospitality of INT of the University of Washington, Seattle, where this work began. Work by Z.R. was supported by PALM Labex. Work by K.A.M. was supported by the U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division. NR 36 TC 7 Z9 7 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 27 PY 2014 VL 89 IS 18 AR 180507 DI 10.1103/PhysRevB.89.180507 PG 4 WC Physics, Condensed Matter SC Physics GA AI1YC UT WOS:000336650100001 ER PT J AU Staar, P Maier, T Schulthess, TC AF Staar, Peter Maier, Thomas Schulthess, Thomas C. TI Two-particle correlations in a dynamic cluster approximation with continuous momentum dependence: Superconductivity in the two-dimensional Hubbard model SO PHYSICAL REVIEW B LA English DT Article ID MONTE-CARLO CALCULATIONS; BOSON-FERMION SYSTEMS; ELECTRON-SYSTEMS AB The DCA(+) algorithmwas recently introduced by Stear, Maier, and Schulthess [Phys. Rev. B 88, 115101 (2013)] to extend the dynamic cluster approximation (DCA) with a continuous lattice self-energy in order to achieve better convergence with cluster size. Here we extend the DCA(+) algorithm to the calculation of two-particle correlation functions by introducing irreducible vertex functions with continuous momentum dependence consistent with the DCA(+) self-energy. This enables a significantly more controlled and reliable study of phase transitions than with the DCA. We test the new method by calculating the superconducting transition temperature T-c in the attractive Hubbard model and show that it reproduces previous determinantal quantum Monte Carlo results. We then calculate T-c in the doped repulsive Hubbard model, for which previous DCA calculations could only access the weak-coupling (U = 4t) regime for large clusters. We show that the new algorithm provides access to much larger clusters and delivers asymptotically converged results for T-c for both the weak (U = 4t) and intermediate (U = 7t) coupling regimes, and thereby enables the accurate determination of the exact infinite cluster size result. C1 [Staar, Peter; Schulthess, Thomas C.] ETH, Inst Theoret Phys, CH-8093 Zurich, Switzerland. [Maier, Thomas; Schulthess, Thomas C.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Maier, Thomas] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Schulthess, Thomas C.] Swiss Fed Inst Technol, Swiss Natl Supercomp Ctr, CH-6900 Lugano, Switzerland. RP Staar, P (reprint author), ETH, Inst Theoret Phys, CH-8093 Zurich, Switzerland. RI Maier, Thomas/F-6759-2012 OI Maier, Thomas/0000-0002-1424-9996 FU Office of Science [DE-AC05-00OR22725]; Scientific User Facilities Division, Office of Basic Energy Sciences, of the Department of Energy FX This research was carried out with resources of the Oak Ridge Leadership Computing Facility (OLCF), the Swiss National Supercomputing Center (CSCS), and the Center for Nanophase Materials Sciences (CNMS). OLCF and CNMS are located at Oak Ridge National Laboratory and supported, respectively, by the Office of Science under Contract No. DE-AC05-00OR22725 and by the Scientific User Facilities Division, Office of Basic Energy Sciences, of the Department of Energy. NR 25 TC 6 Z9 6 U1 2 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 27 PY 2014 VL 89 IS 19 AR 195133 DI 10.1103/PhysRevB.89.195133 PG 11 WC Physics, Condensed Matter SC Physics GA AI1YF UT WOS:000336650500002 ER PT J AU Dey, B Meyer, CA Bellis, M Williams, M Adhikari, KP Adikaram, D Aghasyan, M Amaryan, MJ Anderson, MD Pereira, SA Ball, J Baltzell, NA Battaglieri, M Bedlinskiy, I Biselli, AS Bono, J Boiarinov, S Briscoe, WJ Brooks, WK Burkert, VD Carman, DS Celentano, A Chandavar, S Colaneri, L Cole, PL Contalbrigo, M Cortes, O Crede, V D'Angelo, A Dashyan, N De Vita, R De Sanctis, E Deur, A Djalali, C Doughty, D Dugger, M Dupre, R El Alaoui, A El Fassi, L Elouadrhiri, L Fedotov, G Fegan, S Fleming, JA Garcon, M Gevorgyan, N Ghandilyan, Y Gilfoyle, GP Giovanetti, KL Girod, FX Glazier, DI Goetz, JT Gothe, RW Griffioen, KA Guidal, M Hafidi, K Hanretty, C Harrison, N Hattawy, M Hicks, K Ho, D Holtrop, M Hyde, CE Ilieva, Y Ireland, DG Ishkhanov, BS Jenkins, D Jo, HS Joo, K Keller, D Khandaker, M Kim, A Kim, W Klein, A Klein, FJ Koirala, S Kubarovsky, V Kuhn, SE Kuleshov, SV Lenisa, P Livingston, K Lu, H MacGregor, IJD Markov, N Mayer, M McCracken, ME McKinnon, B Mineeva, T Mirazita, M Mokeev, V Montgomery, RA Moriya, K Moutarde, H Munevar, E Camacho, CM Nadel-Turonski, P Niccolai, S Niculescu, G Niculescu, I Osipenko, M Pappalardo, LL Paremuzyan, R Park, K Pasyuk, E Peng, P Phillips, JJ Pisano, S Pogorelko, O Pozdniakov, S Price, JW Procureur, S Protopopescu, D Puckett, AJR Rimal, D Ripani, M Ritchie, BG Rizzo, A Rossi, P Roy, P Sabatie, F Saini, MS Schott, D Schumacher, RA Seder, E Senderovich, I Sharabian, YG Simonyan, A Smith, ES Sober, DI Sokhan, D Stepanyan, SS Stoler, P Strakovsky, II Strauch, S Sytnik, V Taiuti, M Tang, W Tkachenko, S Ungaro, M Vernarsky, B Vlassov, AV Voskanyan, H Voutier, E Walford, NK Watts, DP Zachariou, N Zana, L Zhang, J Zhao, ZW Zonta, I AF Dey, B. Meyer, C. A. Bellis, M. Williams, M. Adhikari, K. P. Adikaram, D. Aghasyan, M. Amaryan, M. J. Anderson, M. D. Pereira, S. Anefalos Ball, J. Baltzell, N. A. Battaglieri, M. Bedlinskiy, I. Biselli, A. S. Bono, J. Boiarinov, S. Briscoe, W. J. Brooks, W. K. Burkert, V. D. Carman, D. S. Celentano, A. Chandavar, S. Colaneri, L. Cole, P. L. Contalbrigo, M. Cortes, O. Crede, V. D'Angelo, A. Dashyan, N. De Vita, R. De Sanctis, E. Deur, A. Djalali, C. Doughty, D. Dugger, M. Dupre, R. El Alaoui, A. El Fassi, L. Elouadrhiri, L. Fedotov, G. Fegan, S. Fleming, J. A. Garcon, M. Gevorgyan, N. Ghandilyan, Y. Gilfoyle, G. P. Giovanetti, K. L. Girod, F. X. Glazier, D. I. Goetz, J. T. Gothe, R. W. Griffioen, K. A. Guidal, M. Hafidi, K. Hanretty, C. Harrison, N. Hattawy, M. Hicks, K. Ho, D. Holtrop, M. Hyde, C. E. Ilieva, Y. Ireland, D. G. Ishkhanov, B. S. Jenkins, D. Jo, H. S. Joo, K. Keller, D. Khandaker, M. Kim, A. Kim, W. Klein, A. Klein, F. J. Koirala, S. Kubarovsky, V. Kuhn, S. E. Kuleshov, S. V. Lenisa, P. Livingston, K. Lu, H. MacGregor, I. J. D. Markov, N. Mayer, M. McCracken, M. E. McKinnon, B. Mineeva, T. Mirazita, M. Mokeev, V. Montgomery, R. A. Moriya, K. Moutarde, H. Munevar, E. Camacho, C. Munoz Nadel-Turonski, P. Niccolai, S. Niculescu, G. Niculescu, I. Osipenko, M. Pappalardo, L. L. Paremuzyan, R. Park, K. Pasyuk, E. Peng, P. Phillips, J. J. Pisano, S. Pogorelko, O. Pozdniakov, S. Price, J. W. Procureur, S. Protopopescu, D. Puckett, A. J. R. Rimal, D. Ripani, M. Ritchie, B. G. Rizzo, A. Rossi, P. Roy, P. Sabatie, F. Saini, M. S. Schott, D. Schumacher, R. A. Seder, E. Senderovich, I. Sharabian, Y. G. Simonyan, A. Smith, E. S. Sober, D. I. Sokhan, D. Stepanyan, S. S. Stoler, P. Strakovsky, I. I. Strauch, S. Sytnik, V. Taiuti, M. Tang, W. Tkachenko, S. Ungaro, M. Vernarsky, B. Vlassov, A. V. Voskanyan, H. Voutier, E. Walford, N. K. Watts, D. P. Zachariou, N. Zana, L. Zhang, J. Zhao, Z. W. Zonta, I. CA CLAS Collaboration TI Data analysis techniques, differential cross sections, and spin density matrix elements for the reaction gamma p -> phi p SO PHYSICAL REVIEW C LA English DT Article ID LARGE MOMENTUM-TRANSFER; MESON PHOTOPRODUCTION; ELASTIC PHOTOPRODUCTION; ENERGY PHOTOPRODUCTION; WAVE INTERFERENCE; VECTOR-MESONS; HYDROGEN; SCATTERING; THRESHOLD; BREMSSTRAHLUNG AB High-statistics measurements of differential cross sections and spin density matrix elements for the reaction gamma p -> phi p have been made using the CLAS detector at Jefferson Lab. We cover center-of-mass energies (v s) from 1.97 to 2.84 GeV, with an extensive coverage in the phi production angle. The high statistics of the data sample made it necessary to carefully account for the interplay between the f natural lineshape and effects of the detector resolution, that are found to be comparable in magnitude. We study both the charged-(phi -> K+ K-) and neutral( phi ->(KsKL0)-K-0) K (K) over bar decay modes of the phi Further, for the charged mode, we differentiate between the cases where the final K-track is directly detected or its momentum reconstructed as the total missing momentum in the event. The two charged-mode topologies and the neutral-mode have different resolutions and are calibrated against each other. Extensive usage is made of kinematic fitting to improve the reconstructed f mass resolution. Our final results are reported in 10- and mostly 30-MeV-wide root s bins for the charged-and the neutral-modes, respectively. Possible effects from K+Lambda* channels with pK (K) over bar final states are discussed. These present results constitute the most precise and extensive phi photoproduction measurements to date and in conjunction with the omega photoproduction results recently published by CLAS, will greatly improve our understanding of low energy vector meson photoproduction. C1 [Dey, B.; Meyer, C. A.; Bellis, M.; Williams, M.; Celentano, A.; Ho, D.; Lu, H.; McCracken, M. E.; Moriya, K.; Schumacher, R. A.; Vernarsky, B.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [McCracken, M. E.] Washington & Jefferson Coll, Washington, PA 15301 USA. [Baltzell, N. A.; Dupre, R.; El Alaoui, A.; El Fassi, L.; Hafidi, K.] Argonne Natl Lab, Argonne, IL 60441 USA. [Dugger, M.; Pasyuk, E.; Ritchie, B. G.; Senderovich, I.] Arizona State Univ, Tempe, AZ 85287 USA. [Price, J. W.] Calif State Univ Dominguez Hills, Carson, CA 90747 USA. [Klein, F. J.; Sober, D. I.; Walford, N. K.] Catholic Univ Amer, Washington, DC 20064 USA. [Ball, J.; Garcon, M.; Girod, F. X.; Moutarde, H.; Procureur, S.; Sabatie, F.] CEA, Ctr Saclay, Irfu Serv Phys Nucl, F-91191 Gif Sur Yvette, France. [Doughty, D.] Christopher Newport Univ, Newport News, VA 23606 USA. [Harrison, N.; Joo, K.; Markov, N.; Mineeva, T.; Puckett, A. J. R.; Seder, E.; Ungaro, M.] Univ Connecticut, Storrs, CT 06269 USA. [Fleming, J. A.; Glazier, D. I.; Watts, D. P.; Zana, L.] Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. [Biselli, A. S.] Fairfield Univ, Fairfield, CT 06824 USA. [Bono, J.; Rimal, D.; Schott, D.] Florida Int Univ, Miami, FL 33199 USA. [Crede, V.; Hanretty, C.; Roy, P.; Saini, M. S.] Florida State Univ, Tallahassee, FL 32306 USA. [Sytnik, V.] Univ Genoa, I-16146 Genoa, Italy. [Briscoe, W. J.; Ilieva, Y.; Munevar, E.; Strakovsky, I. I.] George Washington Univ, Washington, DC 20052 USA. [Cole, P. L.; Cortes, O.] Idaho State Univ, Pocatello, ID 83209 USA. [Contalbrigo, M.; Lenisa, P.; Pappalardo, L. L.] Ist Nazl Fis Nucl, Sez Ferrara, I-44100 Ferrara, Italy. [Aghasyan, M.; Pereira, S. Anefalos; De Sanctis, E.; Mirazita, M.; Montgomery, R. A.; Pisano, S.; Rossi, P.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Battaglieri, M.; Celentano, A.; De Vita, R.; Osipenko, M.; Ripani, M.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Colaneri, L.; D'Angelo, A.; Rizzo, A.; Zonta, I.] Ist Nazl Fis Nucl, Sez Roma Tor Vergata, I-00133 Rome, Italy. [Guidal, M.; Hattawy, M.; Jo, H. S.; Camacho, C. Munoz; Niccolai, S.; Sokhan, D.] Inst Phys Nucl, F-91406 Orsay, France. [Bedlinskiy, I.; Kuleshov, S. V.; Pogorelko, O.; Pozdniakov, S.; Vlassov, A. V.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Giovanetti, K. L.; Niculescu, G.] James Madison Univ, Harrisonburg, VA 22807 USA. [Kim, A.; Kim, W.; Park, K.; Stepanyan, S. S.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Voutier, E.] Univ Grenoble 1, CNRS, LPSC, IN2P3,INPG, Grenoble, France. [Holtrop, M.] Univ New Hampshire, Durham, NH 03824 USA. [Khandaker, M.] Norfolk State Univ, Norfolk, VA 23504 USA. [Chandavar, S.; Goetz, J. T.; Hicks, K.; Keller, D.; Taiuti, M.; Tang, W.] Ohio Univ, Athens, OH 45701 USA. [Adhikari, K. P.; Adikaram, D.; Amaryan, M. J.; Hyde, C. E.; Klein, A.; Koirala, S.; Kuhn, S. E.; Mayer, M.; Niculescu, I.; Zhang, J.] Old Dominion Univ, Norfolk, VA 23529 USA. [Kubarovsky, V.; Stoler, P.; Ungaro, M.] Rensselaer Polytech Inst, Troy, NY 12180 USA. [Gilfoyle, G. P.] Univ Richmond, Richmond, VA 23173 USA. [D'Angelo, A.] Univ Roma Tor Vergata, I-00133 Rome, Italy. [Ishkhanov, B. S.; Mokeev, V.] Skobeltsyn Nucl Phys Inst, Moscow 119899, Russia. [Djalali, C.; Fedotov, G.; Gothe, R. W.; Ilieva, Y.; Park, K.; Strauch, S.; Tkachenko, S.; Zachariou, N.; Zhao, Z. W.] Univ S Carolina, Columbia, SC 29208 USA. [Boiarinov, S.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Deur, A.; Doughty, D.; Elouadrhiri, L.; Kubarovsky, V.; Mokeev, V.; Nadel-Turonski, P.; Pasyuk, E.; Rossi, P.; Sharabian, Y. G.; Smith, E. S.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Brooks, W. K.; Joo, K.; Kuleshov, S. V.] Univ Tecn Federico Santa Maria, Valparaiso, Chile. [Anderson, M. D.; Fegan, S.; Ireland, D. G.; Livingston, K.; MacGregor, I. J. D.; McKinnon, B.; Phillips, J. J.; Protopopescu, D.] Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. [Griffioen, K. A.] Coll William & Mary, Williamsburg, VA 23187 USA. [Dashyan, N.; Gevorgyan, N.; Ghandilyan, Y.; Paremuzyan, R.; Simonyan, A.; Voskanyan, H.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Peng, P.] Univ Virginia, Charlottesville, VA 22901 USA. [Jenkins, D.] Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. RP Dey, B (reprint author), SLAC Natl Accelerator Lab, Stanford, CA 94309 USA. RI Celentano, Andrea/J-6190-2012; Adikaram, Dasuni/D-1539-2016; Adikaram, D/H-7128-2016; MacGregor, Ian/D-4072-2011; Schumacher, Reinhard/K-6455-2013; Brooks, William/C-8636-2013; Kuleshov, Sergey/D-9940-2013; Meyer, Curtis/L-3488-2014; Lu, Haiyun/B-4083-2012; Ireland, David/E-8618-2010; El Alaoui, Ahmed/B-4638-2015; Sabatie, Franck/K-9066-2015; Osipenko, Mikhail/N-8292-2015; Zhang, Jixie/A-1461-2016 OI Celentano, Andrea/0000-0002-7104-2983; D'Angelo, Annalisa/0000-0003-3050-4907; Schumacher, Reinhard/0000-0002-3860-1827; Brooks, William/0000-0001-6161-3570; Kuleshov, Sergey/0000-0002-3065-326X; Meyer, Curtis/0000-0001-7599-3973; Ireland, David/0000-0001-7713-7011; Sabatie, Franck/0000-0001-7031-3975; Osipenko, Mikhail/0000-0001-9618-3013; FU U.S. Department of Energy [DE-FG02-87ER40315]; National Science Foundation; Italian Istituto Nazionale di Fisica Nucleare; French Centre National de la Recherche Scientifique; French Commissariat a l'Energie Atomique; U.K. Research Council; National Research Foundation of Korea; Chilean CONICYT; Southeastern Universities Research Association (SURA) operated Jefferson Lab under U.S. DOE [DE-AC05-84ER40150] FX The authors thank the staff and administration of the Thomas Jefferson National Accelerator Facility who made this experiment possible. B.D. thanks Bill Dunwoodie for helpful discussions on the phi lineshape. This work was supported in part by the U.S. Department of Energy (under Grant No. DE-FG02-87ER40315); the National Science Foundation; the Italian Istituto Nazionale di Fisica Nucleare; the French Centre National de la Recherche Scientifique; the French Commissariat a l'Energie Atomique; the U.K. Research Council, S.T.F.C.; the National Research Foundation of Korea; and the Chilean CONICYT. The Southeastern Universities Research Association (SURA) operated Jefferson Lab under U.S. DOE Contract No. DE-AC05-84ER40150 during this work. NR 65 TC 12 Z9 12 U1 1 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 EI 1089-490X J9 PHYS REV C JI Phys. Rev. C PD MAY 27 PY 2014 VL 89 IS 5 AR 055208 DI 10.1103/PhysRevC.89.055208 PG 31 WC Physics, Nuclear SC Physics GA AI1YK UT WOS:000336651100005 ER PT J AU Weber, CR Clark, DS Cook, AW Busby, LE Robey, HF AF Weber, C. R. Clark, D. S. Cook, A. W. Busby, L. E. Robey, H. F. TI Inhibition of turbulence in inertial-confinement-fusion hot spots by viscous dissipation SO PHYSICAL REVIEW E LA English DT Article ID NATIONAL IGNITION FACILITY; VISCOSITY; IMPLOSIONS; TARGETS AB Achieving ignition in inertial confinement fusion (ICF) requires the formation of a high-temperature (> 10 keV) central hot spot. Turbulence has been suggested as a mechanism for degrading the hot-spot conditions by altering transport properties, introducing colder, mixed material, or reducing the conversion of radially directed kinetic energy to hot-spot heating. We show, however, that the hot spot is very viscous, and the assumption of turbulent conditions in the hot spot is incorrect. This work presents the first high-resolution, three-dimensional simulations of National Ignition Facility (NIF) implosion experiments using detailed knowledge of implosion dynamics and instability seeds and including an accurate model of physical viscosity. We find that when viscous effects are neglected, the hot spot can exhibit a turbulent kinetic energy cascade. Viscous effects, however, are significant and strongly damp small-scale velocity structures, with a hot-spot Reynolds number in the range of only 10-100. C1 [Weber, C. R.; Clark, D. S.; Cook, A. W.; Busby, L. E.; Robey, H. F.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Weber, CR (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM weber30@llnl.gov FU U. S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We wish to thank Dr. W.H. Cabot for his work on modeling plasma properties in the Miranda code. This work was performed under the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 27 TC 23 Z9 23 U1 0 U2 22 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 MAY 27 PY 2014 VL 89 IS 5 AR 053106 DI 10.1103/PhysRevE.89.053106 PG 5 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA AI1YZ UT WOS:000336653000015 PM 25353903 ER PT J AU Singh, A Moody, G Wu, SF Wu, YW Ghimire, NJ Yan, JQ Mandrus, DG Xu, XD Li, XQ AF Singh, Akshay Moody, Galan Wu, Sanfeng Wu, Yanwen Ghimire, Nirmal J. Yan, Jiaqiang Mandrus, David G. Xu, Xiaodong Li, Xiaoqin TI Coherent Electronic Coupling in Atomically Thin MoSe2 SO PHYSICAL REVIEW LETTERS LA English DT Article ID GAAS QUANTUM-WELLS; MONOLAYER MOS2; VALLEY POLARIZATION; CHARGED EXCITONS; LAYER MOS2; SPECTROSCOPY; GENERATION; TRANSPORT; ENERGY AB We report the first direct spectroscopic evidence for coherent electronic coupling between excitons and trions in atomically thin transition metal dichalcogenides, specifically monolayer MoSe2. Signatures of coupling appear as isolated cross-peaks in two-color pump-probe spectra, and the line shape of the peaks reveals that the coherent coupling originates from many- body interactions. Excellent agreement between the experiment and density matrix calculations suggests that coherent exciton-trion coupling leads to the formation of a correlated state with a remarkably large binding energy. C1 [Singh, Akshay; Moody, Galan; Wu, Yanwen; Li, Xiaoqin] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Wu, Sanfeng] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Wu, Yanwen] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Ghimire, Nirmal J.; Mandrus, David G.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Ghimire, Nirmal J.; Yan, Jiaqiang; Mandrus, David G.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Yan, Jiaqiang; Mandrus, David G.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Xu, Xiaodong] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. RP Singh, A (reprint author), Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. EM elaineli@physics.utexas.edu RI Moody, Galan/J-5811-2014; Wu, Sanfeng/L-1323-2016 OI Moody, Galan/0000-0001-7263-1483; Wu, Sanfeng/0000-0002-6227-6286 FU NSF [DMR-0747822]; Welch Foundation [F-1662]; AFOSR-PECASE [FA9550-10-1-0022]; U.S. DOE, BES, Materials Sciences and Engineering Division [DE-SC0008145]; U.S. DOE, Office of Basic Energy Sciences, Materials Sciences and Engineering Division FX The work at UT was supported by the NSF (DMR-0747822), the Welch Foundation (F-1662), and AFOSR-PECASE: FA9550-10-1-0022. The work at UW was supported by U.S. DOE, BES, Materials Sciences and Engineering Division (DE-SC0008145). The work at ORNL was supported by U.S. DOE, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. NR 35 TC 33 Z9 33 U1 7 U2 119 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 27 PY 2014 VL 112 IS 21 AR 216804 DI 10.1103/PhysRevLett.112.216804 PG 5 WC Physics, Multidisciplinary SC Physics GA AI1ZH UT WOS:000336654100003 ER PT J AU Andrews, HL Taheri, FB Barros, J Bartolini, R Bharadwaj, V Clarke, C Delerue, N Doucas, G Fuster-Martinez, N Vieille-Grosjean, M Konoplev, IV Labat, M Le Corre, S Perry, C Reichold, A Stevenson, S AF Andrews, H. L. Taheri, F. Bakkali Barros, J. Bartolini, R. Bharadwaj, V. Clarke, C. Delerue, N. Doucas, G. Fuster-Martinez, N. Vieille-Grosjean, M. Konoplev, I. V. Labat, M. Le Corre, S. Perry, C. Reichold, A. Stevenson, S. TI Reconstruction of the time profile of 20.35 GeV, subpicosecond long electron bunches by means of coherent Smith-Purcell radiation SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article ID ACCELERATOR; BEAMS AB We have used coherent Smith-Purcell radiation (cSPr) in order to determine the temporal profile of sub-ps long electron bunches at the Facility for Advanced Accelerator Experimental Tests, at SLAC. The measurements reported here were carried out in June 2012 and April 2013. The rms values for the bunch length varied between 356 to 604 fs, depending on the accelerator settings. The resolution of the system was limited by the range of detectable wavelengths which was, in turn, determined by the choice of the grating periods used in these experiments and the achievable beam-grating separation. The paper gives the details of the various steps in the reconstruction of the time profile and discusses possible improvements to the resolution. We also present initial measurements of the polarization properties of cSPr and of the background radiation. C1 [Andrews, H. L.] LANL, Los Alamos, NM 87545 USA. [Taheri, F. Bakkali; Bartolini, R.; Doucas, G.; Konoplev, I. V.; Perry, C.; Reichold, A.; Stevenson, S.] Univ Oxford, Dept Phys, John Adams Inst, Oxford OX1 3RH, England. [Bharadwaj, V.; Clarke, C.] SLAC Natl Accelerator Lab, Stanford, CA 94025 USA. [Barros, J.; Delerue, N.; Vieille-Grosjean, M.; Le Corre, S.] CNRS, LAL, F-91898 Orsay, France. [Barros, J.; Delerue, N.; Vieille-Grosjean, M.; Le Corre, S.] Univ Paris 11, F-91898 Orsay, France. [Fuster-Martinez, N.] IFIC CSIC UV, Inst Fis Corpuscular, Valencia 46980, Spain. [Labat, M.] Synchrotron SOLEIL, F-91190 St Aubin, France. RP Doucas, G (reprint author), Univ Oxford, Dept Phys, John Adams Inst, Oxford OX1 3RH, England. EM g.doucas@physics.ox.ac.uk RI Barros, Joanna/E-9699-2013 OI Barros, Joanna/0000-0001-8645-8853 FU John Adams Institute; Fell Fund (University of Oxford); Universite Paris-Sud; French ANR [ANR-12-JS05-0003-01]; DOE [DE-AC02-7600515]; [IN2P3]; [IDC-20101074]; [FPA2010-21456-C02-01] FX The authors are grateful to Peter Lau of the Oxford Design Office and to the Oxford and LAL workshops for their skill and efficiency in the design and manufacture of the mechanical components of the system. The financial support of the John Adams Institute, the Fell Fund (University of Oxford), the IN2P3 and the Universite Paris-Sud (program "attractivit,") and the French ANR (Contract No. ANR-12-JS05-0003-01) are gratefully acknowledged. The Valencia group have been supported by Contracts No. IDC-20101074 and No. FPA2010-21456-C02-01. We have profited from numerous discussions with Professor Alan Fisher of Stanford University and Dr. Peter Huggard of Rutherford Appleton Laboratory. This work was performed (in part) under DOE Contract No. DE-AC02-7600515. NR 19 TC 5 Z9 5 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD MAY 27 PY 2014 VL 17 IS 5 AR 052802 DI 10.1103/PhysRevSTAB.17.052802 PG 13 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AI1ZK UT WOS:000336654500006 ER PT J AU Bennett, N Crain, MD Droemer, DW Gignac, RE Lare, G Molina, I Obregon, R Smith, CC Wilkins, FL Welch, DR Cordova, S Gallegos, ML Johnston, MD Kiefer, ML Leckbee, JJ Mazarakis, MG Nielsen, D Renk, TJ Romero, T Webb, TJ Ziska, D AF Bennett, Nichelle Crain, M. Dale Droemer, Darryl W. Gignac, Raymond E. Lare, Greg Molina, Isidro Obregon, Robert Smith, Chase C. Wilkins, Frank L. Welch, Dale R. Cordova, Steve Gallegos, Manuel L. Johnston, Mark D. Kiefer, Mark L. Leckbee, Joshua J. Mazarakis, Michael G. Nielsen, Dan Renk, Timothy J. Romero, Tobias Webb, Timothy J. Ziska, Derek TI Shot reproducibility of the self-magnetic-pinch diode at 4.5 MV SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article ID FLOW AB In experiments conducted at Sandia National Laboratories' RITS-6 accelerator, the self-magnetic-pinch diode exhibits significant shot-to-shot variability. Specifically, for identical hardware operated at the same voltage, some shots exhibit a catastrophic drop in diode impedance. A study is underway to identify sources of shot-to-shot variations which correlate with diode impedance collapse. The scope of this report is limited to data collected at 4.5-MV peak voltage and sources of variability which occur away from the diode, such as sheath electron emission and trajectories, variations in pulsed power, load and transmission line alignment, and different field shapers. We find no changes in the transmission line hardware, alignment, or hardware preparation methods which correlate with impedance collapse. However, in classifying good versus poor shots, we find that there is not a continuous spectrum of diode impedance behavior but that the good and poor shots can be grouped into two distinct impedance profiles. In poor shots, the sheath current in the load region falls from 16%-30% of the total current to less than 10%. This result will form the basis of a follow-up study focusing on the variability resulting from diode physics. C1 [Bennett, Nichelle; Crain, M. Dale; Droemer, Darryl W.; Gignac, Raymond E.; Lare, Greg; Molina, Isidro; Obregon, Robert; Smith, Chase C.; Wilkins, Frank L.] Natl Secur Technol LLC, Las Vegas, NV 89193 USA. [Welch, Dale R.] Voss Sci LLC, Albuquerque, NM 87108 USA. [Cordova, Steve; Gallegos, Manuel L.; Johnston, Mark D.; Kiefer, Mark L.; Leckbee, Joshua J.; Mazarakis, Michael G.; Nielsen, Dan; Renk, Timothy J.; Romero, Tobias; Webb, Timothy J.; Ziska, Derek] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bennett, N (reprint author), Natl Secur Technol LLC, Las Vegas, NV 89193 USA. FU National Security Technologies, LLC [DE-AC52-06NA25946]; U.S. Department of Energy; Sandia National Laboratories for the U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was conducted by National Security Technologies, LLC, under Contract No. DE-AC52-06NA25946 with the U.S. Department of Energy. This work was also conducted by Sandia National Laboratories for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 16 TC 1 Z9 1 U1 1 U2 2 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 MAY 27 PY 2014 VL 17 IS 5 AR 050401 DI 10.1103/PhysRevSTAB.17.050401 PG 12 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AI1ZK UT WOS:000336654500001 ER PT J AU Lee, J Yang, ZQ Zhou, W Pennycook, SJ Pantelides, ST Chisholm, MF AF Lee, Jaekwang Yang, Zhiqing Zhou, Wu Pennycook, Stephen J. Pantelides, Sokrates T. Chisholm, Matthew F. TI Stabilization of graphene nanopore SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE self-healing process; nanopore stabilization; STEM imaging; density-functional theory ID SOLID-STATE NANOPORE; SINGLE-STRANDED-DNA; SILICON; CARBON; WATER; DESALINATION; NANOSCALE; MEMBRANE; GAS AB Graphene is an ultrathin, impervious membrane. The controlled introduction of nanoscale pores in graphene would lead to applications that involve water purification, chemical separation, and DNA sequencing. However, graphene nanopores are unstable against filling by carbon adatoms. Here, using aberration-corrected scanning transmission electron microscopy and density-functional calculations, we report that Si atoms stabilize graphene nanopores by bridging the dangling bonds around the perimeter of the hole. Si-passivated pores remain intact even under intense electron beam irradiation, and they were observed several months after the sample fabrication, demonstrating that these structures are intrinsically robust and stable against carbon filling. Theoretical calculations reveal the underlying mechanism for this stabilization effect: Si atoms bond strongly to the graphene edge, and their preference for tetrahedral coordination forces C adatoms to form dendrites sticking out of the graphene plane, instead of filling the nanopore. Our results provide a novel way to develop stable nanopores, which is a major step toward reliable graphene-based molecular translocation devices. C1 [Lee, Jaekwang; Zhou, Wu; Pantelides, Sokrates T.; Chisholm, Matthew F.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Lee, Jaekwang; Pennycook, Stephen J.; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Yang, Zhiqing] Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China. [Pennycook, Stephen J.; Chisholm, Matthew F.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Lee, J (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM leej2@ornl.gov; chisholmmf@ornl.gov RI Yang, Zhiqing/E-5188-2011; Zhou, Wu/D-8526-2011 OI Yang, Zhiqing/0000-0003-2017-6583; Zhou, Wu/0000-0002-6803-1095 FU Office of Basic Energy Sciences, Materials Sciences and Engineering Division, US Department of Energy (DOE); DOE [DE-FG02-09ER46554]; Wigner Fellowship through the Laboratory Directed Research and Development Program of ORNL; McMinn Endowment at Vanderbilt University; ORNL's Center for Nanophase Materials Sciences; Scientific User Facilities Division, Office of Basic Energy Sciences, DOE; Office of Science of the DOE [DE-AC02-05CH11231]; National Natural Science Foundation of China [51371178, 51390473] FX We are grateful to Dr. Suk-kyun Ahn [Oak Ridge National Laboratory (ORNL)] for helpful comments. This research was supported by the Office of Basic Energy Sciences, Materials Sciences and Engineering Division, US Department of Energy (DOE) (J.L., Z.Y., M. F. C., S.J.P., and S. T. P.), by DOE Grant DE-FG02-09ER46554 (to S. T. P. and J.L.), by a Wigner Fellowship through the Laboratory Directed Research and Development Program of ORNL, managed by UT-Battelle, LLC, for the DOE (to W.Z.), by the McMinn Endowment (S. T. P.) at Vanderbilt University, and through a user project supported by ORNL's Center for Nanophase Materials Sciences, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, DOE. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the DOE under Contract DE-AC02-05CH11231. Z.Y. is supported in part by National Natural Science Foundation of China Grants 51371178 and 51390473. NR 42 TC 20 Z9 20 U1 5 U2 140 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 27 PY 2014 VL 111 IS 21 BP 7522 EP 7526 DI 10.1073/pnas.1400767111 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AH8TO UT WOS:000336411300019 PM 24821802 ER PT J AU Liu, KH Hong, XP Choi, S Jin, CH Capaz, RB Kim, J Wang, WL Bai, XD Louie, SG Wang, EG Wang, F AF Liu, Kaihui Hong, Xiaoping Choi, Sangkook Jin, Chenhao Capaz, Rodrigo B. Kim, Jihoon Wang, Wenlong Bai, Xuedong Louie, Steven G. Wang, Enge Wang, Feng TI Systematic determination of absolute absorption cross-section of individual carbon nanotubes SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE polarization microscope; homodyne detection; carbon nanotube optical spectroscopy; excitons in carbon nanotubes ID SPECTROSCOPY; EXCITONS; LONG AB Optical absorption is the most fundamental optical property characterizing light-matter interactions in materials and can be most readily compared with theoretical predictions. However, determination of optical absorption cross-section of individual nanostructures is experimentally challenging due to the small extinction signal using conventional transmission measurements. Recently, dramatic increase of optical contrast from individual carbon nanotubes has been successfully achieved with a polarization-based homodyne microscope, where the scattered light wave from the nanostructure interferes with the optimized reference signal (the reflected/transmitted light). Here we demonstrate high-sensitivity absorption spectroscopy for individual single-walled carbon nanotubes by combining the polarization-based homodyne technique with broadband super-continuum excitation in transmission configuration. To our knowledge, this is the first time that high-throughput and quantitative determination of nanotube absorption cross-section over broad spectral range at the single-tube level was performed for more than 50 individual chirality-defined single-walled nanotubes. Our data reveal chirality-dependent behaviors of exciton resonances in carbon nanotubes, where the exciton oscillator strength exhibits a universal scaling law with the nanotube diameter and the transition order. The exciton linewidth (characterizing the exciton lifetime) varies strongly in different nanotubes, and on average it increases linearly with the transition energy. In addition, we establish an empirical formula by extrapolating our data to predict the absorption cross-section spectrum for any given nanotube. The quantitative information of absorption cross-section in a broad spectral range and all nanotube species not only provides new insight into the unique photophysics in one-dimensional carbon nanotubes, but also enables absolute determination of optical quantum efficiencies in important photoluminescence and photovoltaic processes. C1 [Liu, Kaihui; Hong, Xiaoping; Choi, Sangkook; Jin, Chenhao; Capaz, Rodrigo B.; Kim, Jihoon; Louie, Steven G.; Wang, Feng] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Liu, Kaihui] Peking Univ, Sch Phys, State Key Lab Mesoscop Phys, Beijing 100871, Peoples R China. [Choi, Sangkook; Louie, Steven G.; Wang, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Capaz, Rodrigo B.] Univ Fed Rio de Janeiro, Inst Fis, BR-21941972 Rio De Janeiro, RJ, Brazil. [Wang, Wenlong; Bai, Xuedong] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Wang, Enge] Peking Univ, Int Ctr Quantum Mat, Beijing 100871, Peoples R China. [Wang, Enge] Peking Univ, Collaborat Innovat Ctr Quantum Matter, Beijing 100871, Peoples R China. [Wang, Feng] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. [Wang, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Wang, F (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM fengwang76@berkeley.edu RI Hong, Xiaoping/G-8673-2013; B, Rodrigo/N-7595-2014; Liu, Kaihui/A-9938-2014; Foundry, Molecular/G-9968-2014; wang, Feng/I-5727-2015 OI Hong, Xiaoping/0000-0002-5864-4533; FU National Science Foundation (NSF) CAREER [0846648]; NSF Center for Integrated Nanomechanical Systems [EEC-0832819]; NSF [DMR10-1006184]; Department of Energy (DOE) [DE-AC02-05CH11231]; DOE Molecular Foundry [DE-AC02-05CH11231]; Program 973 Project [2012CB933003, 2013CB932601, 2013CB932603]; National Natural Science Foundation of China [11027402, 91021007, 10974238, 20973195]; Chinese Academy of Sciences [KJCX2-YW-W35]; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico; Fundacao de Amparo a Pesquisa do Estado do Rio de Janeiro; Instituto Nacional de Ciencia e Tecnologia Nanomateriais de Carbono; National Program for Thousand Young Talents of China FX This study was supported by National Science Foundation (NSF) CAREER Grant 0846648; NSF Center for Integrated Nanomechanical Systems Grant EEC-0832819; NSF Grant DMR10-1006184; Department of Energy (DOE) Contract DE-AC02-05CH11231; DOE Molecular Foundry DE-AC02-05CH11231; Program 973 Project Grants 2012CB933003, 2013CB932601, and 2013CB932603; National Natural Science Foundation of China Grants 11027402, 91021007, 10974238, and 20973195; Chinese Academy of Sciences Grant KJCX2-YW-W35; Brazilian funding agencies Conselho Nacional de Desenvolvimento Cientifico e Tecnologico, Fundacao de Amparo a Pesquisa do Estado do Rio de Janeiro, and Instituto Nacional de Ciencia e Tecnologia Nanomateriais de Carbono (R. B. C.); and the National Program for Thousand Young Talents of China (K. L.). Computational resources have been provided by NSF through TeraGrid resources at National Institute for Computational Sciences and DOE at Lawrence Berkeley National Laboratory's National Energy Research Scientific Computing Center facility. NR 35 TC 24 Z9 24 U1 5 U2 77 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 27 PY 2014 VL 111 IS 21 BP 7564 EP 7569 DI 10.1073/pnas.1318851111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AH8TO UT WOS:000336411300027 PM 24821815 ER PT J AU Boreyko, JB Polizos, G Datskos, PG Sarles, SA Collier, CP AF Boreyko, Jonathan B. Polizos, Georgios Datskos, Panos G. Sarles, Stephen A. Collier, C. Patrick TI Air-stable droplet interface bilayers on oil-infused surfaces SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE nanofabrication; superhydrophobic; networks ID CONSTANT APPROACH VELOCITY; LIPID-BILAYERS; SUPERHYDROPHOBIC SURFACES; COLLIDING DROPS; FILM DRAINAGE; COALESCENCE; FLUID; ICE; NETWORKS; OMNIPHOBICITY AB Droplet interface bilayers are versatile model membranes useful for synthetic biology and biosensing; however, to date they have always been confined to fluid reservoirs. Here, we demonstrate that when two or more water droplets collide on an oil-infused substrate, they exhibit noncoalescence due to the formation of a thin oil film that gets squeezed between the droplets from the bottom up. We show that when phospholipids are included in the water droplets, a stable droplet interface bilayer forms between the noncoalescing water droplets. As with traditional oil-submerged droplet interface bilayers, we were able to characterize ion channel transport by incorporating peptides into each droplet. Our findings reveal that droplet interface bilayers can function in ambient environments, which could potentially enable biosensing of airborne matter. C1 [Boreyko, Jonathan B.; Collier, C. Patrick] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Polizos, Georgios; Datskos, Panos G.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. [Sarles, Stephen A.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. RP Sarles, SA (reprint author), Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. EM ssarles@utk.edu; colliercp@ornl.gov RI Collier, Charles/C-9206-2016 OI Collier, Charles/0000-0002-8198-793X FU Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; Air Force Office of Scientific Research Basic Research Initiative [FA9550-12-1-0464]; SunShot Program of the Office of Energy Efficiency and Renewable Energy FX We thank J. Fowlkes, P. Rack, and S. Retterer for helpful discussions. 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, US Department of Energy. Funding was provided by Air Force Office of Scientific Research Basic Research Initiative Grant FA9550-12-1-0464 (to S. A. S.) and the SunShot Program of the Office of Energy Efficiency and Renewable Energy (G.P.). NR 66 TC 25 Z9 25 U1 5 U2 84 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 27 PY 2014 VL 111 IS 21 BP 7588 EP 7593 DI 10.1073/pnas.1400381111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AH8TO UT WOS:000336411300031 PM 24821774 ER PT J AU Chen, LQ Drake, MR Resch, MG Greene, ER Himmel, ME Chaffey, PK Beckham, GT Tan, ZP AF Chen, Liqun Drake, Matthew R. Resch, Michael G. Greene, Eric R. Himmel, Michael E. Chaffey, Patrick K. Beckham, Gregg T. Tan, Zhongping TI Specificity of O-glycosylation in enhancing the stability and cellulose binding affinity of Family 1 carbohydrate-binding modules SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE chemical synthesis; cellulase; biofuels; protein engineering ID REESEI CELLOBIOHYDROLASE-I; TRICHODERMA-REESEI; AMINO-ACIDS; CRYSTALLINE CELLULOSE; MUTATIONAL ANALYSIS; FUNGAL CELLULASE; PICHIA-PASTORIS; DOMAINS; ADSORPTION; ENZYMES AB The majority of biological turnover of lignocellulosic biomass in nature is conducted by fungi, which commonly use Family 1 carbohydrate-binding modules (CBMs) for targeting enzymes to cellulose. Family 1 CBMs are glycosylated, but the effects of glycosylation on CBM function remain unknown. Here, the effects of O-mannosylation are examined on the Family 1 CBM from the Trichoderma reesei Family 7 cellobiohydrolase at three glycosylation sites. To enable this work, a procedure to synthesize glycosylated Family 1 CBMs was developed. Subsequently, a library of 20 CBMs was synthesized with mono-, di-, or trisaccharides at each site for comparison of binding affinity, proteolytic stability, and thermostability. The results show that, although CBM mannosylation does not induce major conformational changes, it can increase the thermolysin cleavage resistance up to 50-fold depending on the number of mannose units on the CBM and the attachment site. O-Mannosylation also increases the thermostability of CBM glycoforms up to 16 degrees C, and a mannose disaccharide at Ser3 seems to have the largest themostabilizing effect. Interestingly, the glycoforms with small glycans at each site displayed higher binding affinities for crystalline cellulose, and the glycoform with a single mannose at each of three positions conferred the highest affinity enhancement of 7.4-fold. Overall, by combining chemical glycoprotein synthesis and functional studies, we show that specific glycosylation events confer multiple beneficial properties on Family 1 CBMs. C1 [Chen, Liqun; Drake, Matthew R.; Greene, Eric R.; Chaffey, Patrick K.; Tan, Zhongping] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80303 USA. [Chen, Liqun; Drake, Matthew R.; Greene, Eric R.; Chaffey, Patrick K.; Tan, Zhongping] Univ Colorado, BioFrontiers Inst, Boulder, CO 80303 USA. [Resch, Michael G.; Himmel, Michael E.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Beckham, GT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. EM gregg.beckham@nrel.gov; zhongping.tan@colorado.edu FU University of Colorado, Boulder; US Department of Energy BioEnergy Technologies Office; National Renewable Energy Laboratory Directed Research and Development Program FX We thank Courtney B. Taylor, Clare McCabe, and Christina M. Payne for helpful discussions. We also thank Hugh O'Neil from the Biofuels Science Focus Area at Oak Ridge National Laboratory for the bacterial cellulose used in this study. We thank the University of Colorado, Boulder and the US Department of Energy BioEnergy Technologies Office for their support during the course of this study. G. T. B. thanks the National Renewable Energy Laboratory Directed Research and Development Program for funding. NR 60 TC 18 Z9 19 U1 6 U2 56 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 27 PY 2014 VL 111 IS 21 BP 7612 EP 7617 DI 10.1073/pnas.1402518111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AH8TO UT WOS:000336411300035 PM 24821760 ER PT J AU Mason, AC Rambo, RP Greer, B Pritchett, M Tainer, JA Cortez, D Eichman, BF AF Mason, Aaron C. Rambo, Robert P. Greer, Briana Pritchett, Michael Tainer, John A. Cortez, David Eichman, Brandt F. TI A structure-specific nucleic acid-binding domain conserved among DNA repair proteins SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE replication restart; fork reversal ID REPLICATION FORK REGRESSION; ANNEALING HELICASE; BRANCH MIGRATION; DAMAGE RESPONSE; HOLLIDAY JUNCTIONS; CRYSTAL-STRUCTURES; GENOME STABILITY; EXCISION-REPAIR; CELL-CYCLE; BACTERIOPHAGE-T4 AB SMARCAL1, a DNA remodeling protein fundamental to genome integrity during replication, is the only gene associated with the developmental disorder Schimke immuno-osseous dysplasia (SIOD). SMARCAL1-deficient cells show collapsed replication forks, S-phase cell cycle arrest, increased chromosomal breaks, hypersensitivity to genotoxic agents, and chromosomal instability. The SMARCAL1 catalytic domain (SMARCAL1(CD)) is composed of an SNF2-type double-stranded DNA motor ATPase fused to a HARP domain of unknown function. The mechanisms by which SMARCAL1 and other DNA translocases repair replication forks are poorly understood, in part because of a lack of structural information on the domains outside of the common ATPase motor. In the present work, we determined the crystal structure of the SMARCAL1 HARP domain and examined its conformation and assembly in solution by small angle X-ray scattering. We report that this domain is conserved with the DNA mismatch and damage recognition domains of MutS/MSH and NER helicase XPB, respectively, as well as with the putative DNA specificity motif of the T4 phage fork regression protein UvsW. Loss of UvsW fork regression activity by deletion of this domain was rescued by its replacement with HARP, establishing the importance of this domain in UvsW and demonstrating a functional complementarity between these structurally homologous domains. Mutation of predicted DNA-binding residues in HARP dramatically reduced fork binding and regression activities of SMARCAL1CD. Thus, this work has uncovered a conserved substrate recognition domain in DNA repair enzymes that couples ATP-hydrolysis to remodeling of a variety of DNA structures, and provides insight into this domain's role in replication fork stability and genome integrity. C1 [Mason, Aaron C.; Greer, Briana; Pritchett, Michael; Eichman, Brandt F.] Vanderbilt Univ, Dept Biol Sci, Nashville, TN 37232 USA. [Rambo, Robert P.; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Div Life Sci, Berkeley, CA 94720 USA. [Cortez, David; Eichman, Brandt F.] Vanderbilt Univ Sch Med, Dept Biochem, Nashville, TN 37232 USA. RP Eichman, BF (reprint author), Vanderbilt Univ, Dept Biol Sci, Nashville, TN 37232 USA. EM brandt.eichman@vanderbilt.edu FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Michigan Technology Tri-Corridor [085P1000817]; National Institutes of Health (NIH) [MINOS GM10540]; Structural Cell Biology of DNA Repair Machines (SBDR) NIH [P01 CA092584]; Vanderbilt Center of Molecular Toxicology; NIH [R01 CA136933]; American Cancer Society [PF-12-220-01]; Vanderbilt Training Program in Environmental Toxicology [T32 ES07028]; SBDR NIH [P01 CA092584]; Vanderbilt Center in Molecular Toxicology [P30 ES000267]; Vanderbilt-Ingram Cancer Center [P30 CA068485] FX We thank Ken Kreuzer for the UvsW expression plasmid and David Smith for help with remote X-ray data collection. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences (Contract DE-AC02-06CH11357). Use of the LS-CAT/Sector 21 beamline was supported by the Michigan Economic Development Corporation and the Michigan Technology Tri-Corridor (Grant 085P1000817). The SIBYLS beamline and SAXS efforts on protein-DNA complexes are supported in part by National Institutes of Health (NIH) Grant MINOS GM10540, by the US Department of Energy program on Integrated Diffraction Analysis Technologies, and by Structural Cell Biology of DNA Repair Machines (SBDR) NIH Grant P01 CA092584. This work was supported by a pilot grant from the Vanderbilt Center of Molecular Toxicology (to B. F. E.) and NIH Grant R01 CA136933 to (D. C.). A. C. M. was funded by an American Cancer Society postdoctoral fellowship (PF-12-220-01) and the Vanderbilt Training Program in Environmental Toxicology (T32 ES07028). Core facilities were supported by SBDR NIH Grant P01 CA092584, Vanderbilt Center in Molecular Toxicology Grant P30 ES000267, and Vanderbilt-Ingram Cancer Center Grant P30 CA068485. NR 68 TC 7 Z9 8 U1 0 U2 15 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 27 PY 2014 VL 111 IS 21 BP 7618 EP 7623 DI 10.1073/pnas.1324143111 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AH8TO UT WOS:000336411300036 PM 24821763 ER PT J AU Aberg, D Sadigh, B Schleife, A Erhart, P AF Aberg, Daniel Sadigh, Babak Schleife, Andre Erhart, Paul TI Origin of resolution enhancement by co-doping of scintillators: Insight from electronic structure calculations SO APPLIED PHYSICS LETTERS LA English DT Article ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; NON-PROPORTIONALITY; CE3+; LABR3; PERFORMANCE; CRYSTALS; SPECTRA; METALS AB It was recently shown that the energy resolution of Ce-doped LaBr3 scintillator radiation detectors can be crucially improved by co-doping with Sr, Ca, or Ba. Here, we outline a mechanism for this enhancement on the basis of electronic structure calculations. We show that (i) Br vacancies are the primary electron traps during the initial stage of thermalization of hot carriers, prior to hole capture by Ce dopants; (ii) isolated Br vacancies are associated with deep levels; (iii) Sr doping increases the Br vacancy concentration by several orders of magnitude; (iv) Sr-La binds to V-Br resulting in a stable neutral complex; and (v) association with Sr causes the deep vacancy level to move toward the conduction band edge. The latter is essential for reducing the effective carrier density available for Auger quenching during thermalization of hot carriers. Subsequent de-trapping of electrons from Sr-La-V-Br complexes can activate Ce dopants that have previously captured a hole leading to luminescence. This mechanism implies an overall reduction of Auger quenching of free carriers, which is expected to improve the linearity of the photon light yield with respect to the energy of incident electron or photon. (C) 2014 AIP Publishing LLC. C1 [Aberg, Daniel; Sadigh, Babak] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Schleife, Andre] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Erhart, Paul] Chalmers, Dept Appl Phys, S-41296 Gothenburg, Sweden. RP Aberg, D (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. EM aberg2@llnl.gov; erhart@chalmers.se RI Erhart, Paul/G-6260-2011; OI Erhart, Paul/0000-0002-2516-6061; Aberg, Daniel/0000-0003-4364-9419 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; National Nuclear Security Administration Office of Nonproliferation Research and Development [NA-22]; Area of Advance-Materials Science at Chalmers; Swedish Research Council (Vetenskapsradet) FX We acknowledge fruitful discussions with S. Payne, G. Bizarri, and R. T. Williams. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344 with the support from the National Nuclear Security Administration Office of Nonproliferation Research and Development (NA-22). P. E. acknowledges funding from the Area of Advance-Materials Science at Chalmers and the Swedish Research Council (Vetenskapsradet). Computer time allocations by the Swedish National Infrastructure for Computing at NSC (Linkoping) and C3SE (Gothenburg) are gratefully acknowledged. NR 43 TC 9 Z9 9 U1 2 U2 17 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 26 PY 2014 VL 104 IS 21 AR 211908 DI 10.1063/1.4880576 PG 4 WC Physics, Applied SC Physics GA AI8FE UT WOS:000337143000021 ER PT J AU Charilaou, M Bordel, C Hellman, F AF Charilaou, M. Bordel, C. Hellman, F. TI Magnetization switching and inverted hysteresis in perpendicular antiferromagnetic superlattices SO APPLIED PHYSICS LETTERS LA English DT Article ID ANISOTROPY; MAGNETORESISTANCE; FILMS AB The magnetization of antiferromagnetic (AFM) superlattices as a function of applied field was investigated using Monte Carlo simulations. The simulated hysteresis loops of systems with N magnetic layers with AFM coupling between the layers exhibit distinct steps with magnetization that decreases with increasing N. Systems with odd N exhibit 3 steps and inverted hysteresis for N > 3, whereas systems with even N exhibit 4 steps, for N > 2, and their microscopic switching sequence is non-deterministic and can take two distinct pathways, even though the switching of the global magnetization is exactly reversible. (C) 2014 AIP Publishing LLC. C1 [Charilaou, M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Charilaou, M (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM charilaou@berkeley.edu OI Charilaou, Michalis/0000-0003-1072-1701 FU LBNL, from DOE BES DMSE [DE-AC02-05CH11231]; Swiss National Science Foundation [PBEZP2-142894] FX We gratefully acknowledge funding from the magnetism program at LBNL, from DOE BES DMSE Contract DE-AC02-05CH11231. M. C. also thanks the Swiss National Science Foundation for support via Grant PBEZP2-142894. NR 23 TC 1 Z9 1 U1 0 U2 27 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 26 PY 2014 VL 104 IS 21 AR 212405 DI 10.1063/1.4880821 PG 4 WC Physics, Applied SC Physics GA AI8FE UT WOS:000337143000034 ER PT J AU Cheng, L La-o-Vorakiat, C Tang, CS Nair, SK Xia, B Wang, L Zhu, JX Chia, EEM AF Cheng, Liang La-o-Vorakiat, Chan Tang, Chi Sin Nair, Saritha K. Xia, Bin Wang, Lan Zhu, Jian-Xin Chia, Elbert E. M. TI Temperature-dependent ultrafast carrier and phonon dynamics of topological insulator Bi1.5Sb0.5Te1.8Se1.2 SO APPLIED PHYSICS LETTERS LA English DT Article ID ELECTRON; RELAXATION; PULSES; BI2TE3 AB Using ultrafast optical pump-probe technique, we studied the temperature-dependent carrier and phonon dynamics of the topological insulator Bi1.5Sb0.5Te1.8Se1.2 single-crystal from 10K to 300 K. Two relaxation processes of carriers and coherent optical/acoustic phonons have been observed. By using the two-temperature model, we are able to attribute the fast (similar to ps) relaxation component to carrier-phonon coupling involving carriers in the conduction band. We also studied the temperature dependence of the dephasing time and frequency of optical phonon, and the optical penetration depth of Bi1.5Sb0.5Te1.8Se1.2. (C) 2014 AIP Publishing LLC. C1 [Cheng, Liang; La-o-Vorakiat, Chan; Tang, Chi Sin; Nair, Saritha K.; Xia, Bin; Wang, Lan; Chia, Elbert E. M.] Nanyang Technol Univ, Sch Phys & Math Sci, Div Phys & Appl Phys, Singapore 637371, Singapore. [Zhu, Jian-Xin] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Zhu, Jian-Xin] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Chia, EEM (reprint author), Nanyang Technol Univ, Sch Phys & Math Sci, Div Phys & Appl Phys, Singapore 637371, Singapore. EM elbertchia@ntu.edu.sg RI Chia, Elbert/B-6996-2011; Wang, Lan/B-6990-2011 OI Chia, Elbert/0000-0003-2066-0834; Wang, Lan/0000-0001-7124-2718 FU Singapore National Research Foundation [RCA-08/018]; Singapore Ministry of Education AcRF [MOE2010-T2-2-059, RG 13/12, ARC 23/08]; National Research Foundation [NRF-CRP4-2008-04]; National Nuclear Security Administration of the U.S. DOE at LANL [DE-AC52-06NA25396]; Center for Integrated Nanotechnologies, a U.S. DOE Office of Basic Energy Sciences user facility FX We thank A. Petrovic for technical assistance with specific heat measurements. L. W. acknowledges funding from Singapore National Research Foundation RCA-08/018 and Singapore Ministry of Education AcRF Tier 2 (MOE2010-T2-2-059). E. E. M. C. acknowledges support from Singapore Ministry of Education AcRF Tier 1 (RG 13/12), Tier 2 (ARC 23/08), as well as the National Research Foundation Competitive Research Programme (NRF-CRP4-2008-04). J.-X.Z. is supported by the National Nuclear Security Administration of the U.S. DOE at LANL under Contract No. DE-AC52-06NA25396, and in part by the Center for Integrated Nanotechnologies, a U.S. DOE Office of Basic Energy Sciences user facility. NR 32 TC 12 Z9 12 U1 1 U2 19 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 26 PY 2014 VL 104 IS 21 AR 211906 DI 10.1063/1.4879831 PG 4 WC Physics, Applied SC Physics GA AI8FE UT WOS:000337143000019 ER PT J AU Hu, JM Liang, LY Ji, YZ Hong, L Gerdes, K Chen, LQ AF Hu, Jia-Mian Liang, Linyun Ji, Yanzhou Hong, Liang Gerdes, Kirk Chen, Long-Qing TI Interdiffusion across solid electrolyte-electrode interface SO APPLIED PHYSICS LETTERS LA English DT Article ID PHASE-FIELD MODEL; OXYGEN-TRANSPORT; BINARY-ALLOYS; DIFFUSION; ZIRCONIA; MECHANISMS; EXCHANGE; KINETICS; SYSTEM; LAMNO3 AB A phase-field model is developed for studying the cation interdiffusion across electrolyte-electrode interfaces in solid oxide fuel cell (SOFC) that can be contributing to long timescale performance degradation. Demonstrated on an interface between an 8% molY(2)O(3)-stabilized ZrO2 and a La0.65Sr0.3MnO3-x typically used in SOFC, time-dependent evolution of the cation interdiffusion profiles are predicted by linking the phase-field model to a diffusion equation. The simulated interdiffusion profiles agree with independent experimental data in both time and space domains at different temperatures. (C) 2014 AIP Publishing LLC. C1 [Hu, Jia-Mian; Liang, Linyun; Ji, Yanzhou; Hong, Liang; Chen, Long-Qing] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Gerdes, Kirk] Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Hu, JM (reprint author), Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. EM juh34@psu.edu FU National Energy Technology Laboratory [0004000.3.621.054.001.211.000.007.] FX This work was supported by the National Energy Technology Laboratory's on-going research in the area of cathode modeling in Solid Oxide Fuel Cells under the URS Contract No. 0004000.3.621.054.001.211.000.007. NR 25 TC 1 Z9 1 U1 3 U2 33 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 26 PY 2014 VL 104 IS 21 AR 213907 DI 10.1063/1.4879835 PG 5 WC Physics, Applied SC Physics GA AI8FE UT WOS:000337143000070 ER PT J AU Stevanovic, V Hartman, K Jaramillo, R Ramanathan, S Buonassisi, T Graf, P AF Stevanovic, Vladan Hartman, Katy Jaramillo, R. Ramanathan, Shriram Buonassisi, Tonio Graf, Peter TI Variations of ionization potential and electron affinity as a function of surface orientation: The case of orthorhombic SnS SO APPLIED PHYSICS LETTERS LA English DT Article ID SOLAR-CELLS; SEMICONDUCTORS AB We investigated the dependence of absolute SnS band-edge energies on surface orientation using density functional theory and GW method for all surfaces with Miller indices -3 <= h, k, l <= 3 and found variations as large as 0.9 eV as a function of (hkl). Variations of this magnitude may affect significantly the performance of photovoltaic devices based on polycrystalline SnS thin-films and, in particular, may contribute to the relatively low measured open circuit voltage of SnS solar cells. X-ray diffraction measurements confirm that our thermally evaporated SnS films exhibit a wide distribution of different grain orientations, and the results of Kelvin force microscopy support the theoretically predicted variations of the absolute band-edge energies. (C) 2014 AIP Publishing LLC. C1 [Stevanovic, Vladan] Colorado Sch Mines, Golden, CO 80401 USA. [Stevanovic, Vladan; Graf, Peter] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Hartman, Katy; Jaramillo, R.; Buonassisi, Tonio] MIT, Cambridge, MA 02139 USA. [Ramanathan, Shriram] Harvard Univ, Cambridge, MA 02138 USA. RP Stevanovic, V (reprint author), Colorado Sch Mines, Golden, CO 80401 USA. EM vstevano@mines.edu OI , /0000-0003-3116-6719 FU U.S. Department of Energy, Office of Basic Energy Sciences, Energy Frontier Research Centers [DE-AC36-08GO28308]; U.S. DOE SunShot Initiative [DE-EE0005329]; DOE-EERE Postdoctoral Research Award; [W911NF-12-1-0409] FX Computational work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Energy Frontier Research Centers, under Award No. DE-AC36-08GO28308 to NREL. The use of NREL's computing resources is gratefully acknowledged. MIT acknowledges U.S. DOE SunShot Initiative Contract No. DE-EE0005329. V. S. acknowledges the administrative support of REMRSEC at Colorado School of Mines. R.J. acknowledges the support of a DOE-EERE Postdoctoral Research Award. S. R. acknowledges W911NF-12-1-0409 for support. We acknowledge V. Steinmann, R. Chakraborty, and S. Speakman for experimental support. NR 24 TC 18 Z9 18 U1 5 U2 32 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 26 PY 2014 VL 104 IS 21 AR 211603 DI 10.1063/1.4879558 PG 4 WC Physics, Applied SC Physics GA AI8FE UT WOS:000337143000011 ER PT J AU Wang, SZ Kavaipatti, B Kim, SJ Pan, XQ Ramesh, R Ager, JW Wang, LW AF Wang, Shuzhi Kavaipatti, Balasubramaniam Kim, Sung-Joo Pan, Xiaoqing Ramesh, Ramamoorthy Ager, Joel W., III Wang, Lin-Wang TI Atomic and electronic structures of lattice mismatched Cu2O/TiO2 interfaces SO APPLIED PHYSICS LETTERS LA English DT Article ID HYDROGEN-PRODUCTION; PHOTOCATHODES; SIMULATION; EPITAXY; TIO2 AB Heterojunction interfaces between metal oxides are often highly lattice mismatched. The atomic and electronic structures of such interfaces, however, are not well understood. We have synthesized Cu2O/TiO2 heterojunction thin films with 13% lattice mismatch and studied the interface via experimental methods and large-scale density function theory calculations of supercells containing similar to 1300 atoms. We find that an interface of epitaxial quality is formed via a coincidence site lattice of 8 Cu2O unit cells matching 9 TiO2 unit cells. Calculations reveal the existence of a dislocation core of the O sublattices at the interface and a random arrangement of one layer of interfacial Cu atoms. The interfacial electronic structure is found to be mostly determined by the interfacial Cu distribution, rather than by the O dislocation core. The conduction band minimum and valence band maximum states are spatially separated, and there is no strongly localized state near the core. (C) 2014 AIP Publishing LLC. C1 [Wang, Shuzhi; Ager, Joel W., III; Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Kavaipatti, Balasubramaniam; Ramesh, Ramamoorthy] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Kim, Sung-Joo; Pan, Xiaoqing] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. [Ager, Joel W., III; Wang, Lin-Wang] Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. RP Wang, SZ (reprint author), Google Inc, Mountain View, CA 94043 USA. EM lwwang@lbl.gov OI Ager, Joel/0000-0001-9334-9751 FU Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; Joint Center of Artificial Photosynthesis FX This was 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. The calculations were supported by Solar Energy Research Center at Lawrence Berkeley National Laboratory, and part of the analysis is supported by Joint Center of Artificial Photosynthesis. This research used the computational resources of the National Energy Research Scientific Computing Center (NERSC) and Oak Ridge Leadership Computing Facility (OLCF) with the computational time allocated by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) project. NR 19 TC 3 Z9 3 U1 5 U2 63 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 MAY 26 PY 2014 VL 104 IS 21 AR 211605 DI 10.1063/1.4880942 PG 4 WC Physics, Applied SC Physics GA AI8FE UT WOS:000337143000013 ER PT J AU Zhao, YX Nardes, AM Zhu, K AF Zhao, Yixin Nardes, Alexandre M. Zhu, Kai TI Effective hole extraction using MoOx-Al contact in perovskite CH3NH3PbI3 solar cells SO APPLIED PHYSICS LETTERS LA English DT Article ID ORGANOMETAL HALIDE PEROVSKITES; CHARGE-TRANSPORT; EFFICIENT; RECOMBINATION; PERFORMANCE; IODIDE; DEPOSITION; TRIHALIDE; CONDUCTOR; LENGTHS AB We report an 11.4%-efficient perovskite CH3NH3PbI3 solar cell using low-cost molybdenum oxide/aluminum (i.e., MoOx/Al) as an alternative top contact to replace noble/precious metals (e. g., Au or Ag) for extracting photogenerated holes. The device performance of perovskite solar cells using a MoOx/Al top contact is comparable to that of cells using the standard Ag top contact. Analysis of impedance spectroscopy measurements suggests that using 10-nm-thick MoOx and Al does not affect charge-recombination properties of perovskite solar cells. Using a thicker (20-nm) MoOx layer leads to a lower cell performance caused mainly by a reduced fill factor. Our results suggest that MoOx/Al is promising as a low-cost and effective hole-extraction contact for perovskite solar cells. C1 [Zhao, Yixin; Nardes, Alexandre M.; Zhu, Kai] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. RP Zhu, K (reprint author), Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. EM Kai.Zhu@nrel.gov RI Zhao, Yixin/D-2949-2012; Nardes, Alexandre/C-8556-2012 FU U.S. Department of Energy/National Renewable Energy Laboratory's Laboratory Directed Research and Development (LDRD) program [DE-AC36-08GO28308] FX We acknowledge the support by the U.S. Department of Energy/National Renewable Energy Laboratory's Laboratory Directed Research and Development (LDRD) program under Contract No. DE-AC36-08GO28308. NR 35 TC 37 Z9 38 U1 6 U2 193 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 26 PY 2014 VL 104 IS 21 AR 213906 DI 10.1063/1.4880899 PG 4 WC Physics, Applied SC Physics GA AI8FE UT WOS:000337143000069 ER PT J AU Smith, DP Chen, H Ogo, S Elduque, AI Eisenstein, M Olmstead, MM Fish, RH AF Smith, David P. Chen, Hong Ogo, Seiji Elduque, Ana I. Eisenstein, Miriam Olmstead, Marilyn M. Fish, Richard H. TI Bioorganometallic Chemistry. 27. Synthetic, X-ray Crystallographic, and Competitive Binding Studies in the Reactions of Nucleobases, Nucleosides, and Nucleotides with [Cp*Rh(H2O)(3)](OTf)(2), as a Function of pH, and the Utilization of Several Cp*Rh-DNA Base Complexes in Host-Guest Chemistry SO ORGANOMETALLICS LA English DT Article ID (ETA(5)-PENTAMETHYLCYCLOPENTADIENYL)RHODIUM AQUA COMPLEXES; AQUEOUS ORGANOMETALLIC CHEMISTRY; METALLOCENE ANTITUMOR AGENTS; TRANSITION-METAL-COMPLEXES; INTRASTRAND CROSS-LINKING; NONCOVALENT PI-PI; MOLECULAR RECOGNITION; COORDINATION CHEMISTRY; MECHANISTIC IMPLICATIONS; HYDROPHOBIC INTERACTIONS AB The reactions of the air- and water-stable tris(aqua) complex [Cp*Rh(H2O)(3)](OTf)(2) (1; OTE = trifluor-omethanesulfonate) with nucleobases and nucleosides that included 9-methyladenine (9-MA), 9-ethylguanine (9-EG), 9-methylhypoxanthine (9-MH), 9-ethylhypoxanthine (9-EH), 1-methylcytosine (1-MC), I-methylthymine (1-MT), adenosine (Ado), and guanosine (Guo) provided new bonding modes, all as a function of pH. The 9-MA nucleobase provided a novel cyclic trimer, at pH 6, characteristic for all Ado complexes: [Cp*Rh(mu(2)-eta(1)(N1):eta(2)(N6,N7)-9-MA/Ado)](3)(OTf)(3). The Cp*Rh(9-EG) and Cp*Rh(Guo) complexes showed N7 and 6-C=0 binding modes in water, [Cp*Rh((eta(2)(N7,O6)-9-EG/Guo)(OH)](OTf), and no cyclic trimer products, due to a pronounced steric effect of the 2-amino group. This was shown convincingly by the results with 9-MH and 9-EH, which did form cyclic trimers at pH 6.1, [Cp*Rh(mu(2)-eta(1)(N1):eta(2)(N7,O6)-9-MH/9-EH)](3)(OTf)(3), with a structure similar to that of 9-EG, but with no 2-amino group available. At pH 10.2, the pK(a) of the 9-MH's NH1 hydrogen dictated the structure, providing a mu-hydroxy dimer, trans-[Cp*Rh(eta(1)(N1)-9-MH)(mu-OH)](2)(OTf)(2), while in methanol the same reaction provided a mononuclear complex, [Cp*Rh(eta(1)(N7)-9-MH)(MeOH)(2)](OTf)(2). The reaction of 1 and 1-MC, at pH 5.4, provided another mu-hydroxy dimer with intramolecular H bonding of the O and H atoms of the mu-OH groups (H-acceptor and H-donor, respectively), trans[Cp*Rh(eta(1)(N3)-1-MC)(mu-OH)](2)(OTf)(2), while in acetone, the product was a monomeric complex, [(eta(5)-Cp*Rh)(eta(1)(N3)-1-MC)(eta(2)(O2,N3)-1-MC)](OTf)(2). The reaction of 1 and 1-MT at pH 10 showed the initial complex 1 being converted to its equilibrium complex, [(Cp*Rh)(2)(mu-OH)(3)](+), and this led to two components being formed. The anionic component was a linear [(eta(1)(N3)-MT) Rh-1-(eta(1)(N3)-MT)] (12e Rh-1 center) assembly, formed via a presumed reductive elimination of Cp*OH, and included an orthogonal array of two thymine planes. The cationic component was [(Cp*Rh)(2)(mu-OH)(3)](+), with its Cp* moiety being pi-pi stacked with thymine rings, as well as the pi-pi interactions of two thymine rings: {[Rh-1(eta(1)(N3)-1-MT)(2)](2)[(Cp*Rh)(2)(p-OH)(3)](3)}OH. The competitive order of nucleoside reactivity was Ado >> Guo, while for the nucleotides it was GMP > AMP >> CMP approximate to TMP. Finally, we also discuss several examples of the utilization of these unique Cp*Rh DNA base complexes, as aqueous hosts for molecular recognition of aromatic amino acids and as NMR shift reagents for many organic compounds. C1 [Smith, David P.; Chen, Hong; Ogo, Seiji; Fish, Richard H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ogo, Seiji] Kyushu Univ, Dept Chem & Biochem, Grad Sch Engn, Nishi Ku, Fukuoka 8190395, Japan. [Elduque, Ana I.] Univ Zaragoza CSIC, Dept Inorgan Chem, Fac Sci ICMA, Madrid 5009, Zaragoza, Spain. [Eisenstein, Miriam] Weizmann Inst Sci, Dept Chem Res Support, IL-76100 Rehovot, Israel. [Olmstead, Marilyn M.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. RP Olmstead, MM (reprint author), Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. EM mmolmstead@ucdavis.edu; rhfish@lbl.gov RI U-ID, Kyushu/C-5291-2016 FU LBNL Laboratory Directed Research and Development Funds; Department of Energy [DE-ACO2-05CH11231] FX The studies at LBNL were generously supported by LBNL Laboratory Directed Research and Development Funds to R.H.F. and the Department of Energy under Contract No. DE-ACO2-05CH11231. We also acknowledge the reviewers for insightful comments that were helpful in the writing of the manuscript and the drawing of the figures. NR 81 TC 13 Z9 13 U1 1 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 EI 1520-6041 J9 ORGANOMETALLICS JI Organometallics PD MAY 26 PY 2014 VL 33 IS 10 BP 2389 EP 2404 DI 10.1021/om500106r PG 16 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA AI1VF UT WOS:000336642600001 ER PT J AU Norton, JR Spataru, T Camaioni, DM Lee, SJ Li, G Choi, J Franz, JA AF Norton, Jack R. Spataru, Tudor Camaioni, Donald M. Lee, Suh-Jane Li, Gang Choi, Jongwook Franz, James A. TI Kinetics and Mechanism of the Hydrogenation of the CpCr(CO)3(center dot)/[CpCr(CO)(3)](2) Equilibrium to CpCr(CO)(3)H SO ORGANOMETALLICS LA English DT Article ID GAUSSIAN-BASIS SETS; TRANSITION-METAL ATOMS; MOLECULAR-HYDROGEN; REDUCTIVE ELIMINATION; OXIDATIVE ADDITION; RADICAL CYCLIZATIONS; CORRELATION-ENERGY; WAVE-FUNCTIONS; BOND-CLEAVAGE; ACTIVATION AB The kinetics of the hydrogenation of 2 CpCr(CO)(3)center dot/[CpCr(CO)(3)](2) to CpCr(CO)(3)H has been investigated. The reaction is second-order in Cr and first-order in H-2, with a rate constant (if the rate law is written with [CpCr(CO)(3)](2)) of 12(2) M-2 at 25 degrees C in benzene. DFT calculations rule out a side-on H-2 complex as an intermediate and suggest either (1) homolytic cleavage via a collinear Cr-H-H-Cr transition state or (2) end-on approach of H-2 to one Cr as charge is transferred to the other, followed by heterolytic cleavage of the coordinated H-2 between the first Cr and the O of a carbonyl ligand on the second Cr, and eventual isomerization of the resulting O-protonated intermediate to CpCr(CO)(3)H. C1 [Norton, Jack R.; Spataru, Tudor; Li, Gang; Choi, Jongwook] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Camaioni, Donald M.; Lee, Suh-Jane; Franz, James A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Spataru, Tudor] CUNY Hostos Community Coll, Dept Nat Sci, Bronx, NY 10451 USA. RP Norton, JR (reprint author), Columbia Univ, Dept Chem, 3000 Broadway, New York, NY 10027 USA. EM jrn11@columbia.edu; donald.camaioni@pnnl.gov RI Li, Gang/B-3600-2013; OI Lee, Suh-Jane/0000-0002-3396-5859 FU U.S. Department of Energy [DE-FG02-97ER14807]; U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences; Battelle operates PNNL for the DOE; National Science Foundation [CNS-0958379, CNS-0855217] FX The authors are grateful to Dr. Morris Bullock and to Prof. Bruce Bursten for helpful discussions, to Prof. A. K. Rappe for assistance with the calculations, and to Deven Estes and Michael Eberhart for their assistance in the preparation of the manuscript. This article is dedicated to the memory of Jim Franz (1948-2010), whose collaboration with S.-J.L. and J.R.N. enabled it to be written. At Columbia this research was supported by the U.S. Department of Energy, grant DE-FG02-97ER14807. The work at Pacific Northwest National Laboratory (PNNL) was supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences; Battelle operates PNNL for the DOE. Provision to J.A.F. of computational resources (for sideways H2 and dihydride complexes) at the National Energy Research Scientific Computing Facility (NERSC) by the Office of Science, U.S. DOE, is gratefully acknowledged. Provision to D.M.C. of computational resources (dispersion-corrected DFT) at Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at PNNL, is gratefully acknowledged. Provision to T.S. of computational resources (calculations at the UBP86/6-311+ +G** level of theory, for both the heterolytic and homolytic mechanisms) at the City University of New York High Performance Computing Center (College of Staten Island), supported by the National Science Foundation (grants CNS-0958379 and CNS-0855217), is also gratefully acknowledged; access to these resources was provided by Prof. Francisco Fernandez, Hostos Community College. NR 60 TC 5 Z9 5 U1 1 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 EI 1520-6041 J9 ORGANOMETALLICS JI Organometallics PD MAY 26 PY 2014 VL 33 IS 10 BP 2496 EP 2502 DI 10.1021/om4012399 PG 7 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA AI1VF UT WOS:000336642600011 ER PT J AU Bailey, WD Kaminsky, W Kemp, RA Goldberg, KI AF Bailey, Wilson D. Kaminsky, Werner Kemp, Richard A. Goldberg, Karen I. TI Synthesis and Characterization of Anionic, Neutral, and Cationic PNP Pincer Pd-II and Pt-II Hydrides SO ORGANOMETALLICS LA English DT Article ID METAL-LIGAND COOPERATION; BOND ACTIVATION; AROMATIZATION-DEAROMATIZATION; MOLECULAR-OXYGEN; SIGMA-BORANE; COMPLEXES; CATALYSIS; COORDINATION; DEHYDROGENATION; INSERTION AB The synthesis and characterization of anionic, neutral, and cationic hydride complexes of platinum and palladium are reported utilizing the PNP (PNP = 2,6-bis(di-tert-butylphosphinomethyl)pyridine) ligand. Comparisons by IR spectroscopy and X-ray crystallography are made across the series. Evaluation of the metal hydride stretching frequencies of the cationic through anionic complexes shows a trend of increasing M H bond activation. The reactivity of these metal hydrides with oxygen is evaluated and compared to previously reported oxygen insertion reactions. C1 [Bailey, Wilson D.; Kaminsky, Werner; Goldberg, Karen I.] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Kemp, Richard A.] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. [Kemp, Richard A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Kemp, RA (reprint author), Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. EM rakemp@unm.edu; goldberg@chem.washington.edu FU Department of Energy [DE-FG02-06ER15765] FX This work was supported by the Department of Energy (DE-FG02-06ER15765). We thank Prof. David Milstein and his group for helpful discussions and the Weizmann Institute of Science for a Joseph Meyerhoff Visiting Professorship to K.I.G. NR 38 TC 5 Z9 5 U1 0 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 EI 1520-6041 J9 ORGANOMETALLICS JI Organometallics PD MAY 26 PY 2014 VL 33 IS 10 BP 2503 EP 2509 DI 10.1021/om500054f PG 7 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA AI1VF UT WOS:000336642600012 ER PT J AU Kraft, SJ Zhang, GH Childers, D Dogan, F Miller, JT Nguyen, ST Hock, AS AF Kraft, Steven J. Zhang, Guanghui Childers, David Dogan, Fulya Miller, Jeffrey T. Nguyen, SonBinh T. Hock, Adam S. TI Rhodium Catechol Containing Porous Organic Polymers: Defined Catalysis for Single-Site and Supported Nanoparticulate Materials SO ORGANOMETALLICS LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; IRON-CATECHOLATE; HETEROGENEOUS CATALYSIS; HOMOGENEOUS CATALYSTS; HYDROGEN STORAGE; LINKED POLYMERS; COMPLEXES; OXIDATION; REACTIVITY; LIGANDS AB A single-site, rhodium(I) catecholate containing porous organic polymer was prepared and utilized as an active catalyst for the hydrogenation of olefins in both liquid-phase and gas-phase reactors. Liquid-phase, batch hydrogenation reactions at 50 psi and ambient temperatures result in the formation of rhodium metal nanoparticles supported within the polymer framework. Surprisingly, the Rh(I) complex is catalytically active and stable for propene hydrogenation at ambient temperatures under gas-phase conditions, where reduction of the Rh(I) centers to Rh(0) nanoparticles requires at least 200-250 degrees C under a flow of hydrogen gas. After high-temperature treatment, the Rh(0) nanoparticles are active arene hydrogenation catalysts that convert toluene to methylcyclohexadiene at a rate of 9.3 x 10(-3) mol h(-1) of rhodium metal at room temperature. Conversely, single-site Rh(I) is an active and stable catalyst for the hydrogenation of propylene (but not toluene) under gas-phase conditions at room temperature. C1 [Kraft, Steven J.; Dogan, Fulya; Miller, Jeffrey T.; Hock, Adam S.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Childers, David] Univ Illinois, Dept Chem Engn, Chicago, IL 60607 USA. [Nguyen, SonBinh T.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Hock, Adam S.] IIT, Dept Biol & Chem Sci, Chicago, IL 60616 USA. [Zhang, Guanghui] Wuhan Univ, Coll Chem & Mol Sci, Wuhan 430072, Hubei, Peoples R China. RP Hock, AS (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Zhang, Guanghui/C-4747-2008; BM, MRCAT/G-7576-2011; ID, MRCAT/G-7586-2011; Nguyen, SonBinh/C-1682-2014; Hock, Adam/D-7660-2012 OI Zhang, Guanghui/0000-0002-5854-6909; Nguyen, SonBinh/0000-0002-6977-3445; Hock, Adam/0000-0003-1440-1473 FU U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences [DE-AC-02-06-CH11357]; Illinois Institute of Technology; U.S. Department of Energy, Office of Science and Office of Basic Energy Sciences [DE-AC-02-06-CH11357]; Department of Energy; MRCAT member institutions FX The work at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, under Contract DE-AC-02-06-CH11357. A.S.H. thanks the Illinois Institute of Technology for startup funding support. Use of the Advanced Photon Source is supported by the U.S. Department of Energy, Office of Science and Office of Basic Energy Sciences, under contract DE-AC-02-06-CH11357. Materials Research Collaborative Access Team (MRCAT, Sector 10 muB) operations are supported by the Department of Energy and the MRCAT member institutions. NR 48 TC 8 Z9 8 U1 8 U2 46 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 EI 1520-6041 J9 ORGANOMETALLICS JI Organometallics PD MAY 26 PY 2014 VL 33 IS 10 BP 2517 EP 2522 DI 10.1021/om500136k PG 6 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA AI1VF UT WOS:000336642600014 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 DeWolf, EA Janssen, X Knutsson, A Luyckx, S Mucibello, L Ochesanu, S Roland, B Rougny, R Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, F Blyweert, S D'Hondt, J Heracleous, N Kalogeropoulos, A Keaveney, J Kim, TJ Lowette, S Maes, M Olbrechts, A Strom, D Tavernier, S Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Caillol, C Clerbaux, B De Lentdecker, G Favart, L Gay, APR Leonard, A Marage, PE Mohammadi, A Pernie, L Reis, T Seva, T Thomas, L 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 Diblen, SS Sigamani, M Strobbe, N Thyssen, F Tytgat, M Walsh, S Yazgan, E Zaganidis, N Basegmez, S Beluffi, C Bruno, G Castello, R Caudron, A Ceard, L Da Silveira, GG Delaere, C du Pree, T Favart, D Forthomme, L Giammanco, A Hollar, J Jez, P Komm, M Lemaitre, V Liao, J Militaru, O Nuttens, C Pagano, D Pin, A Piotrzkowski, K Popov, A Quertenmont, L Selvaggi, M Marono, MV Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alves, GA Martins, MC Martins, T Pol, ME Souza, MHG Alda, WL Carvalho, W Chinellato, J Custodio, A Da Costa, EM Damiao, DD Martins, CD De Souza, SF Malbouisson, H Malek, M Figueiredo, DM Mundim, L Nogima, H Da Silva, WLP Santaolalla, J Santoro, A Sznajder, A Manganote, EJT Pereira, AV Bernardes, CA Dias, FA 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 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 Mirabito, L Perries, S Alvarez, JDR Sgandurra, L Sordini, V Donckt, MV Verdier, P Viret, S Xiao, H Tsamalaidze, Z Autermann, C Beranek, S Bontenackels, M Calpas, B Edelhoff, M Feld, L Hindrichs, O Klein, K Ostapchuk, A Perieanu, A Raupach, F Sammet, J Schael, S Sprenger, D Weber, H Wittmer, B Zhukov, V Ata, M Caudron, J Dietz-Laursonn, E Duchardt, D Erdmann, M Fischer, R Guth, A Hebbeker, T Heidemann, C Hoepfner, K Klingebiel, D Knutzen, S Kreuzer, P Merschmeyer, M Meyer, A Olschewski, M Padeken, K Papacz, P Reithler, H Schmitz, SA Sonnenschein, L Teyssier, D Thuer, S Weber, M Cherepanov, V Erdogan, Y Flugge, G Geenen, H Geisler, M Ahmad, WH Hoehle, F Kargoll, B Kress, T Kuessel, Y Lingemann, J Nowack, A Nugent, IM Perchalla, L Pooth, O Stahl, A Asin, I Bartosik, N Behr, J Behrenhoff, W Behrens, U Bell, AJ Bergholz, M Bethani, A Borras, K Burgmeier, A Cakir, A Calligaris, L Campbell, A Choudhury, S Costanza, F Pardos, CD Dooling, S Dorland, T Eckerlin, G Eckstein, D Eichhorn, T Flucke, G Geiser, A Grebenyuk, A Gunnellini, P Habib, S Hauk, J Hellwig, G Hempel, M Horton, D Jung, H Kasemann, M Katsas, P Kieseler, J Kleinwort, C Kramer, M Krucker, D Lange, W Leonard, J Lipka, K Lohmann, W Lutz, B Mankel, R Marfin, I Melzer-Pellmann, IA Meyer, AB Mnich, J Mussgiller, A Naumann-Emme, S Novgorodova, O Nowak, F Perrey, H Petrukhin, A Pitzl, D Placakyte, R Raspereza, A Cipriano, PMR Riedl, C Ron, E Sahin, MO Salfeld-Nebgen, J Saxena, P Schmidt, R Schoerner-Sadenius, T Schroder, M Stein, M Trevino, ADRV Walsh, R Wissing, C Martin, MA Blobel, V Enderle, H Erfle, J Garutti, E Goebel, K Gorner, M Gosselink, M Haller, J Hoing, RS Kirschenmann, H Klanner, R Kogler, R Lange, J Marchesini, I Ott, J Peiffer, T Pietsch, N Rathjens, D Sander, C Schettler, H Schleper, P Schlieckau, E Schmidt, A Seidel, M Sibille, J Sola, V Stadie, H Steinbruck, G Troendle, D Usai, E Vanelderen, L Barth, C Baus, C Berger, J Boser, C Butz, E Chwalek, T De Boer, W Descroix, A Dierlamm, A Feindt, M Guthoff, M Hartmann, F Hauth, T Held, H Hoffmann, KH Husemann, U Katkov, I Kornmayer, A Kuznetsova, E Pardo, PL Martschei, D Mozer, MU Muller, T Niegel, M Nurnberg, A Oberst, O Quast, G Rabbertz, K Ratnikov, F Rocker, S Schilling, FP Schott, G Simonis, HJ Stober, FM Ulrich, R Wagner-Kuhr, J Wayand, S Weiler, T Wolf, R Zeise, M Anagnostou, G Daskalakis, G Geralis, T Kesisoglou, S Kyriakis, A Loukas, D Markou, A Markou, C Ntomari, E Psallidas, A Topsis-Giotis, I Gouskos, L Panagiotou, A Saoulidou, N Stiliaris, E Aslanoglou, X Evangelou, I Flouris, G Foudas, C Kokkas, P Manthos, N Papadopoulos, I Paradas, E Bencze, G Hajdu, C Hidas, P Horvath, D Sikler, F Veszpremi, V Vesztergombi, G Zsigmond, AJ Beni, N Czellar, S Molnar, J Palinkas, J Szillasi, Z Karancsi, J Raics, P Trocsanyi, ZL Ujvari, B Swain, SK Beri, SB Bhatnagar, V Dhingra, N Gupta, R Kaur, M Mehta, MZ Mittal, M Nishu, N Sharma, A Singh, JB Kumar, A Kumar, A Ahuja, S Bhardwaj, A Choudhary, BC Kumar, A Malhotra, S Naimuddin, M Ranjan, K Sharma, V Shivpuri, RK Banerjee, S Bhattacharya, S Chatterjee, K Dutta, S Gomber, B Jain, S Jain, S Khurana, R Modak, A Mukherjee, S Roy, D Sarkar, S Sharan, M Singh, AP Abdulsalam, A Dutta, D Kailas, S Kumar, V Mohanty, AK Pant, LM Shukla, P Topkar, A Aziz, T Chatterjee, RM Ganguly, S Ghosh, S Guchait, M Gurtu, A Kole, G Kumar, S Maity, M Majumder, G Mazumdar, K Mohanty, GB Parida, B Sudhakar, K Wickramage, N Banerjee, S Dugad, S Arfaei, H Bakhshiansohi, H Behnamian, H Etesami, SM Fahim, A Jafari, A Khakzad, M Najafabadi, MM Naseri, M Mehdiabadi, SP Safarzadeh, B Zeinali, M Grunewald, M Abbrescia, M Barbone, L Calabria, C Chhibra, SS Colaleo, A Creanza, D De Filippis, N De Palma, M Fiore, L Iaselli, G Maggi, G Maggi, M Marangelli, B My, S Nuzzo, S Pacifico, N Pompili, A Pugliese, G Radogna, R Selvaggi, G Silvestris, L Singh, G Venditti, R Verwilligen, P Zito, G Abbiendi, G Benvenuti, AC 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CA CMS Collaboration TI Search for W ' -> tb decays in the lepton plus jets final state in pp collisions at root s=8 TeV SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Exotics; Hadron-Hadron Scattering ID TOP-QUARK; RESONANCES; EVENTS; MODEL AB Results are presented from a search for the production of a heavy gauge boson W' decaying into a top and a bottom quark, using a data set collected by the CMS experiment at root s = 8 TeV and corresponding to an integrated luminosity of 19.5 fb(-1). Various models of W'-boson production are studied by allowing for an arbitrary combination of left-and right-handed couplings. The analysis is based on the detection of events with a lepton (e, mu), jets, and missing transverse energy in the final state. No evidence for W'-boson production is found and 95% confidence level upper limits on the production cross section times branching fraction are obtained. For W' bosons with purely right-handed couplings, and for those with left-handed couplings assuming no interference effects, the observed 95% confidence level limit is M(W') > 2.05TeV. For W' bosons with purely left-handed couplings, including interference effects, the observed 95% confidence level limit is M(W') > 1.84 TeV. The results presented in this paper are the most stringent limits published to date. 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.] OeAW, Inst Hochenergiephys, Vienna, Austria. [Mossolov, V.; Shumeiko, N.; Gonzalez, J. 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Ocampo; Ryckbosch, D.; Diblen, S. Salva; Sigamani, M.; Strobbe, N.; Thyssen, F.; Tytgat, M.; Walsh, S.; Yazgan, E.; Zaganidis, N.] Univ Ghent, B-9000 Ghent, Belgium. [Basegmez, S.; Beluffi, C.; Bruno, G.; Castello, R.; Caudron, A.; Ceard, L.; Da Silveira, G. G.; 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, M. Vidal; Garcia, J. M. Vizan] Catholic Univ Louvain, Louvain, Belgium. [Beliy, N.; Caebergs, T.; Daubie, E.; Hammad, G. H.] Univ Mons, B-7000 Mons, Belgium. [Alves, G. A.; Martins Junior, M. Correa; Martins, T.; Pol, M. E.; Souza, M. H. G.] Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. [Alda Junior, W. L.; Carvalho, W.; Chinellato, J.; Custodio, A.; Da Costa, E. M.; Damiao, D. De Jesus; Martins, C. De Oliveira; De Souza, S. Fonseca; Malbouisson, H.; Malek, M.; Figueiredo, D. 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J.; Wang, D.; Zhang, L.; Zou, W.] Peking Univ, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [Avila, C.; Carrillo Montoya, C. A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gomez Moreno, B.; Sanabria, J. C.] Univ Los Andes, Bogota, Colombia. [Godinovic, N.; Lelas, D.; Polic, D.; Puljak, I.] Tech Univ Split, Split, Croatia. [Antunovic, Z.; Kovac, M.] Univ Split, Split, Croatia. [Brigljevic, V.; Kadija, K.; Luetic, J.; Mekterovic, D.; Morovic, S.; Tikvica, L.] Inst Rudjer Boskov, Zagreb, Croatia. [Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.] Univ Cyprus, Nicosia, Cyprus. [Finger, M.; Finger, M., Jr.] Charles Univ Prague, Prague, Czech Republic. [Abdelalim, A. A.; Assran, Y.; Elgammal, S.; Kamel, A. Ellithi; Mahmoud, M. A.; Radi, A.] Acad Sci Res & Technol Arab Republ Egypt, Egyptian Network High Energy Phys, Cairo, Egypt. [Kadastik, M.; Muentel, M.; Murumaa, M.; Raidal, M.; Rebane, L.; Tiko, A.] NICPB, Tallinn, Estonia. [Eerola, P.; Fedi, G.; Voutilainen, M.] Univ Helsinki, Dept Phys, Helsinki, Finland. [Harkonen, J.; Karimaki, V.; Kinnunen, R.; Kortelainen, M. J.; Lampen, T.; Lassila-Perini, K.; Lehti, S.; Linden, T.; Luukka, P.; Maenpaa, T.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.] Helsinki Inst Phys, Helsinki, Finland. [Tuuva, T.] Lappeenranta Univ Technol, Lappeenranta, Finland. [Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; de Monchenault, G. Hamel; Jarry, P.; Locci, E.; Malcles, J.; Nayak, A.; Rander, J.; Rosowsky, A.; Titov, M.] CEA Saclay, IRFU, DSM, F-91191 Gif Sur Yvette, France. [Baffioni, S.; Beaudette, F.; Busson, P.; Charlot, C.; Daci, N.; Dahms, T.; Dalchenko, M.; Dobrzynski, L.; Florent, A.; de Cassagnac, R. Granier; Mine, P.; Mironov, C.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Paganini, P.; Sabes, D.; Salerno, R.; Sirois, Y.; Veelken, C.; Yilmaz, Y.; Zabi, A.] Ecole Polytech, CNRS, IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Conte, E.; Drouhin, F.; Fontaine, J. -C.; Gele, D.; Goerlach, U.; Goetzmann, C.; Juillot, P.; Le Bihan, A. -C.; Van Hove, P.] Univ Strasbourg, Univ Haute Alsace Mulhouse, CNRS, IN2P3,Inst Pluridisciplinaire Hubert Curien, Strasbourg, France. [Gadrat, S.] CNRS, IN2P3, Ctr Calcul, Inst Natl Phys Nucl & Phys Particules, Villeurbanne, France. [Beauceron, S.; Beaupere, N.; Boudoul, G.; Brochet, S.; Chasserat, J.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fan, J.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Kurca, T.; Lethuillier, M.; Mirabito, L.; Perries, S.; Alvarez, J. D. Ruiz; Sgandurra, L.; Sordini, V.; Donckt, M. Vander; Verdier, P.; Viret, S.; Xiao, H.] Univ Lyon 1, Univ Lyon, CNRS, IN2P3,Inst Phys Nucl Lyon, F-69622 Villeurbanne, France. [Tsamalaidze, Z.] Tbilisi State Univ, Inst High Energy Phys & Informatizat, GE-380086 Tbilisi, Rep of Georgia. [Autermann, C.; Beranek, S.; Bontenackels, M.; Calpas, B.; Edelhoff, M.; Feld, L.; Hindrichs, O.; Klein, K.; Ostapchuk, A.; Perieanu, A.; Raupach, F.; Sammet, J.; Schael, S.; Sprenger, D.; Weber, H.; Wittmer, B.; Zhukov, V.] Rhein Westfal TH Aachen, Inst Phys 1, Aachen, Germany. [Ata, M.; Caudron, J.; Dietz-Laursonn, E.; Duchardt, D.; Erdmann, M.; Fischer, R.; Gueth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Knutzen, S.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Olschewski, M.; Padeken, K.; Papacz, P.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Teyssier, D.; Thueer, S.; Weber, M.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Cherepanov, V.; Erdogan, Y.; Fluegge, G.; Geenen, H.; Geisler, M.; Ahmad, W. Haj; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Lingemann, J.; Nowack, A.; Nugent, I. M.; Perchalla, L.; Pooth, O.; Stahl, A.] Rhein Westfal TH Aachen, Phys Inst B 3, Aachen, Germany. [Asin, I.; Bartosik, N.; Behr, J.; Behrenhoff, W.; Behrens, U.; Bell, A. J.; Bergholz, M.; Bethani, A.; Borras, K.; Burgmeier, A.; Cakir, A.; Calligaris, L.; Campbell, A.; Choudhury, S.; Costanza, F.; Pardos, C. Diez; Dooling, S.; Dorland, T.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Flucke, G.; Geiser, A.; Grebenyuk, A.; Gunnellini, P.; Habib, S.; Hauk, J.; Hellwig, G.; Hempel, M.; Horton, D.; Jung, H.; Kasemann, M.; Katsas, P.; Kieseler, J.; Kleinwort, C.; Kraemer, M.; Kruecker, D.; Lange, W.; Leonard, J.; Lipka, K.; Lohmann, W.; Lutz, B.; Mankel, R.; Marfin, I.; Melzer-Pellmann, I. -A.; Meyer, A. B.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Novgorodova, O.; Nowak, F.; Perrey, H.; Petrukhin, A.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Cipriano, P. M. Ribeiro; Riedl, C.; Ron, E.; Sahin, M. Oe.; Salfeld-Nebgen, J.; Saxena, P.; Schmidt, R.; Schoerner-Sadenius, T.; Schroeder, M.; Stein, M.; Trevino, A. D. R. Vargas; Walsh, R.; Wissing, C.] DESY, Hamburg, Germany. [Martin, M. Aldaya; Blobel, V.; Enderle, H.; Erfle, J.; Garutti, E.; Goebel, K.; Goerner, M.; Gosselink, M.; Haller, J.; Hoeing, R. S.; Kirschenmann, H.; Klanner, R.; Kogler, R.; Lange, J.; Marchesini, I.; Ott, J.; Peiffer, T.; Pietsch, N.; Rathjens, D.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Seidel, M.; Sibille, J.; Sola, V.; Stadie, H.; Steinbrueck, G.; Troendle, D.; Usai, E.; Vanelderen, L.] Univ Hamburg, Hamburg, Germany. [Barth, C.; Baus, C.; Berger, J.; Boeser, C.; Butz, E.; Chwalek, T.; De Boer, W.; Descroix, A.; Dierlamm, A.; Feindt, M.; Guthoff, M.; Hartmann, F.; Hauth, T.; Held, H.; Hoffmann, K. H.; Husemann, U.; Katkov, I.; Kornmayer, A.; Kuznetsova, E.; Pardo, P. Lobelle; Martschei, D.; Mozer, M. U.; Mueller, Th.; Niegel, M.; Nuernberg, A.; Oberst, O.; Quast, G.; Rabbertz, K.; Ratnikov, F.; Roecker, S.; Schilling, F. -P.; Schott, G.; Simonis, H. J.; Stober, F. M.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weiler, T.; Wolf, R.; Zeise, M.] Univ Karlsruhe, Inst Expt Kernphys, Karlsruhe, Germany. [Anagnostou, G.; Daskalakis, G.; Geralis, T.; Kesisoglou, S.; Kyriakis, A.; Loukas, D.; Markou, A.; Markou, C.; Ntomari, E.; Psallidas, A.; Topsis-giotis, I.] INPP, NCSR Demokritos, Aghia Paraskevi, Greece. [Gouskos, L.; Panagiotou, A.; Saoulidou, N.; Stiliaris, E.] Univ Athens, Athens, Greece. [Aslanoglou, X.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Paradas, E.] Univ Ioannina, GR-45110 Ioannina, Greece. [Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.] Wigner Res Ctr Phys, Budapest, Hungary. [Beni, N.; Czellar, S.; Molnar, J.; Palinkas, J.; Szillasi, Z.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Karancsi, J.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.] Univ Debrecen, Debrecen, Hungary. [Swain, S. K.] Natl Inst Sci Educ & Res, Bhubaneswar, Orissa, India. [Beri, S. B.; Bhatnagar, V.; Dhingra, N.; Gupta, R.; Kaur, M.; Mehta, M. Z.; Mittal, M.; Nishu, N.; Sharma, A.; Singh, J. B.] Panjab Univ, Chandigarh 160014, India. [Kumar, Ashok; Kumar, Arun; Ahuja, S.; Bhardwaj, A.; Choudhary, B. C.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, V.; Shivpuri, R. K.] Univ Delhi, Delhi 110007, India. [Banerjee, S.; Bhattacharya, S.; Chatterjee, K.; Dutta, S.; Gomber, B.; Jain, Sa; Jain, Sh; Khurana, R.; Modak, A.; Mukherjee, S.; Roy, D.; Sarkar, S.; Sharan, M.; Singh, A. P.] Saha Inst Nucl Phys, Kolkata, India. [Abdulsalam, A.; Dutta, D.; Kailas, S.; Kumar, V.; Mohanty, A. K.; Pant, L. M.; Shukla, P.; Topkar, A.] Bhabha Atom Res Ctr, Mumbai 400085, Maharashtra, India. [Aziz, T.; Chatterjee, R. M.; Ganguly, S.; Ghosh, S.; Guchait, M.; Gurtu, A.; Kole, G.; Kumar, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Mohanty, G. B.; Parida, B.; Sudhakar, K.; Wickramage, N.] Tata Inst Fundamental Res, EHEP, Mumbai 400005, Maharashtra, India. [Banerjee, S.; Dugad, S.] Tata Inst Fundamental Res, HECR, Mumbai 400005, Maharashtra, India. [Arfaei, H.; Bakhshiansohi, H.; Behnamian, H.; Etesami, S. M.; Fahim, A.; Jafari, A.; Khakzad, M.; Najafabadi, M. Mohammadi; Naseri, M.; Mehdiabadi, S. Paktinat; Safarzadeh, B.; Zeinali, M.] Inst Res Fundamental Sci IPM, Tehran, Iran. [Grunewald, M.] Univ Coll Dublin, Dublin 2, Ireland. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Marangelli, B.; My, S.; Nuzzo, S.; Pacifico, N.; Pompili, A.; Pugliese, G.; Radogna, R.; Selvaggi, G.; Silvestris, L.; Singh, G.; Venditti, R.; Verwilligen, P.; Zito, G.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; De Palma, M.; Marangelli, B.; Nuzzo, S.; Pompili, A.; Radogna, R.; Selvaggi, G.; Singh, G.; Venditti, R.] Univ Bari, Bari, Italy. [Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; My, S.; Pugliese, G.] Politecn Bari, Bari, Italy. [Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Meneghelli, M.; Montanari, A.; Navarria, F. L.; Odorici, F.; Perrotta, A.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Codispoti, G.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Meneghelli, M.; Navarria, F. L.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Univ Bologna, Bologna, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.] Ist Nazl Fis Nucl, Sez Catania, I-95129 Catania, Italy. [Albergo, S.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy. CSFNSM, Catania, Italy. [Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Gallo, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.] Ist Nazl Fis Nucl, Sez Firenze, I-50125 Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Tropiano, A.] Univ Florence, Florence, Italy. [Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Fabbricatore, P.; Ferretti, R.; Ferro, F.; Lo Vetere, M.; Musenich, R.; Robutti, E.; Tosi, S.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Ferretti, R.; Lo Vetere, M.; Tosi, S.] Univ Genoa, Genoa, Italy. [Benaglia, A.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; de Fatis, T. Tabarelli] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20133 Milan, Italy. [Dinardo, M. E.; Fiorendi, S.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Manzoni, R. A.; Martelli, A.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Cavallo, N.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] Ist Nazl Fis Nucl, Sez Napoli, I-80125 Naples, Italy. [Iorio, A. O. M.] Univ Naples Federico II, Naples, Italy. [Cavallo, N.; Fabozzi, F.] Univ Basilicata Potenza, Potenza, Italy. [Meola, S.] Univ G Marconi, Rome, Italy. [Azzi, P.; Bacchetta, N.; Bellato, M.; Biasotto, M.; Branca, A.; Carlin, R.; Checchia, P.; Dorigo, T.; Dosselli, U.; Fanzago, F.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Lazzizzera, I.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.] Ist Nazl Fis Nucl, Sez Padova, Padua, Italy. [Branca, A.; Carlin, R.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Tosi, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.] Univ Padua, Padua, Italy. [Kanishchev, K.; Lazzizzera, I.] Univ Trento, Trento, 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.; 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.; Romeo, F.; Santocchia, A.; Spiezia, A.] Univ Perugia, Perugia, Italy. [Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Fiori, F.; Foa, L.; Giassi, A.; Grippo, M. T.; Kraan, A.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Moon, C. S.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Vernieri, C.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy. [Martini, L.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Broccolo, G.; Fiori, F.; Foa, L.; Ligabue, F.; Vernieri, C.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; Del Re, D.; Diemoz, M.; Grassi, M.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Rovelli, C.; Soffi, L.; Traczyk, P.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Barone, L.; Del Re, D.; Grassi, M.; Longo, E.; Margaroli, F.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Rahatlou, S.; Soffi, L.; Traczyk, P.] Univ Roma, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bellan, R.; Biino, C.; Cartiglia, N.; Casasso, S.; Costa, M.; Degano, A.; Demaria, N.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Ortona, G.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Amapane, N.; Argiro, S.; Bellan, R.; Casasso, S.; Costa, M.; Degano, A.; Migliore, E.; Monaco, V.; Ortona, G.; Pacher, L.; Potenza, A.; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientale, Novara, 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 Univ & Elementary Particles, Kwangju, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, Y.; Lee, K. S.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Choi, Y.; Choi, Y. K.; Goh, J.; Kim, M. S.; Kwon, E.; Lee, B.; Lee, J.; Lee, S.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Juodagalvis, A.] Vilnius Univ, Vilnius, Lithuania. [Attikis, A.; Abdulsalam, A.; Komaragiri, J. R.] Univ Malaya, Natl Ctr Particle Phys, Kuala Lumpur, Malaysia. [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.] UnivAutonoma 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.; 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.; Silva, C. Beirao Da Cruz E.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Nguyen, F.; Antunes, J. Rodrigues; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Golutvin, I.; Kamenev, A.; Karjavin, V.; Konoplyanikov, V.; Korenkov, V.; Kozlov, G.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Savina, M.; Shmatov, S.; Shulha, S.; Smirnov, V.; Tikhonenko, E.; 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.] 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. [Belyaev, A.; Boos, E.; Bunichev, V.; Dubinin, M.; Dudko, L.; Ershov, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Obraztsov, S.; Perfilov, M.; Petrushanko, S.; Savrin, V.] Lomonosov Moscow 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, Serbia. [Adzic, P.; Djordjevic, M.; Ekmedzic, M.; Milosevic, J.] 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 Medioambient & Tecnol CIEMAT, Madrid, Spain. [Albajar, C.; de Troconiz, J. F.; Missiroli, M.] 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. [Abdulsalam, A.; 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.; Giordano, D.; Girone, M.; Giunta, M.; Glege, F.; Garrido, R. Gomez-Reino; Gowdy, S.; Guida, R.; Hammer, J.; Hansen, M.; Harris, P.; Innocente, V.; Janot, P.; Karavakis, E.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lourenco, C.; Magini, N.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Mulders, M.; Musella, P.; Orsini, L.; Cortezon, E. Palencia; Perez, E.; Perrozzi, L.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pierini, M.; Pimiae, M.; Piparo, D.; Plagge, M.; Racz, A.; Reece, W.; Rolandi, G.; Rovere, M.; Sakulin, H.; Santanastasio, F.; Schaefer, C.; Schwick, C.; Sekmen, S.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Steggemann, J.; Stieger, B.; Stoye, M.; Tsirou, A.; Veres, G. I.; Vlimant, J. R.; Woehri, H. K.; Zeuner, W. D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Koenig, S.; Kotlinski, D.; Langenegger, U.; Renker, D.; Rohe, T.] Paul Scherrer Inst, Villigen, Switzerland. [Bachmair, F.; Baeni, L.; Bianchini, L.; Bortignon, P.; Buchmann, M. A.; Casal, B.; Chanon, N.; Deisher, A.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eller, P.; Grab, C.; Hits, D.; Lustermann, W.; Mangano, B.; Marini, A. C.; del Arbol, P. Martinez Ruiz; Meister, D.; Mohr, N.; Naegeli, C.; Nef, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pape, L.; Pauss, F.; Peruzzi, M.; Quittnat, M.; Ronga, F. J.; Rossini, M.; Starodumov, A.; Takahashi, M.; Tauscher, L.; Theofilatos, K.; Treille, D.; Wallny, R.; Weber, H. A.] ETH, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Chiochia, V.; De Cosa, A.; Favaro, C.; Hinzmann, A.; Hreus, T.; Rikova, M. Ivova; Kilminster, B.; Mejias, B. Millan; Ngadiuba, J.; Robmann, P.; Snoek, H.; Taroni, S.; Verzetti, M.; 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.; Chen, P. H.; Dietz, C.; Grundler, U.; Hou, W. -S.; Hsiung, Y.; Kao, K. Y.; Lei, Y. J.; Liu, Y. F.; Lu, R. -S.; Majumder, D.; Petrakou, E.; Shi, X.; Shiu, J. G.; Tzeng, Y. M.; Wang, M.; Wilken, R.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Suwonjandee, N.] Chulalongkorn Univ, Bangkok, Thailand. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sogut, K.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, M.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Aliev, T.; Bilin, B.; Bilmis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Karapinar, G.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yalvac, M.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Gulmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Ozkorucuklu, S.] Bogazici Univ, Istanbul, Turkey. [Bahtiyar, H.; Barlas, E.; Cankocak, K.; Vardarli, F. I.; Yucel, M.] Istanbul Tech Univ, TR-80626 Istanbul, Turkey. [Levchuk, L.; Sorokin, P.] Kharkov Inst Phys & Technol, Natl Sci Ctr, Kharkov, Ukraine. [Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Frazier, R.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Meng, Z.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [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.] 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.; John, J. St.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Alimena, J.; Bhattacharya, S.; Christopher, G.; Cutts, D.; Demiragli, Z.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.; Swanson, J.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Kopecky, A.; Lander, R.; Miceli, T.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Rutherford, B.; Searle, M.; Shalhout, S.; Smith, J.; Squires, M.; Tripathi, M.; Wilbur, S.; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Andreev, V.; Cline, D.; Cousins, R.; Erhan, S.; Everaerts, P.; Farrell, C.; Felcini, M.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Rakness, G.; Schlein, P.; Takasugi, E.; Valuev, V.; Weber, M.] Univ Calif Los Angeles, Los Angeles, CA USA. [Babb, J.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Jandir, P.; Lacroix, F.; Liu, H.; Long, O. R.; Luthra, A.; Malberti, M.; Nguyen, H.; Shrinivas, A.; Sturdy, J.; Sumowidagdo, S.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Evans, D.; Holzner, A.; Kelley, R.; Kovalskyi, D.; Lebourgeois, M.; Letts, J.; Macneill, I.; Padhi, S.; Palmer, C.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Urthwein, F. W.; Yagil, A.; Yoo, J.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Campagnari, C.; Danielson, T.; Flowers, K.; Geffert, P.; George, C.; Golf, F.; Incandela, J.; Justus, C.; Villalba, R. Magana; Mccoll, N.; Pavlunin, V.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; West, C.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Di Marco, E.; Duarte, J.; Kcira, D.; Mott, A.; Newman, H. B.; Pena, C.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Wilkinson, R.; Xie, S.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Azzolini, V.; Calamba, A.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Paulini, M.; Russ, J.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Drell, B. R.; Ford, W. T.; Gaz, A.; Lopez, E. Luiggi; Nauenberg, U.; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Eggert, N.; Gibbons, L. K.; Hopkins, W.; Khukhunaishvili, A.; Kreis, B.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT 06430 USA. [Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Gottschalk, E.; Gray, L.; Green, D.; Gruenendahl, S.; Gutsche, O.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Kaadze, K.; Kwan, B. Klima S.; Linacre, J.; Lincoln, D.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoorn, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Ratnikova, N.; Sexton-Kennedy, E.; Sharma, S.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitbeck, A.; Whitmore, J.; Wu, W.; Yang, F.; Yun, J. C.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Acosta, D.; Avery, P.; Bourilkov, D.; Cheng, T.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Dobur, D.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, I. K.; Hugon, J.; Kim, B.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Rinkevicius, A.; Shchutska, L.; Skhirtladze, N.; Snowball, M.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Gaultney, V.; Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, T.; Askew, A.; Bochenek, J.; Chen, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA. [Baarmand, M. M.; Dorney, B.; Hohlmann, M.; Kalakhety, H.; Yumiceva, F.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Apanasevich, L.; Bazterra, V. E.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Kurt, P.; Moon, D. H.; O'Brien, C.; Silkworth, C.; Turner, P.; Varelas, N.] UIC, Chicago, IL USA. [Akgun, U.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Dilsiz, K.; Duru, F.; Haytmyradov, M.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Swartz, M.] Johns Hopkins Univ, Baltimore, MD USA. [Baringer, P.; Bean, A.; Benelli, G.; 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.; Barbieri, R.; Bauer, G.; Busza, W.; Cali, I. A.; Chan, M.; Di Matteo, L.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Gulhan, D.; Klute, M.; Lai, Y. S.; Lee, Y. -J.; Levin, A.; Luckey, P. D.; Ma, T.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Velicanu, D.; Veverka, J.; Wyslouch, B.; Yang, M.; Yoon, A. S.; Zanetti, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA. [Dahmes, B.; De Benedetti, A.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Acosta, J. G.; Cremaldi, L. M.; Kroeger, R.; Oliveros, S.; Perera, L.; Rahmat, R.; Sanders, D. A.; Summers, D.] Univ Mississippi, University, MS 38677 USA. [Avdeeva, E.; Bloom, K.; Claes, S. Bose D. R.; Dominguez, A.; Suarez, R. Gonzalez; Keller, J.; Knowlton, D.; Kravchenko, I.; Lazo-Flores, J.; Malik, S.; Meier, F.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Dolen, J.; Godshalk, A.; Iashvili, I.; Jain, S.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Wan, Z.] SUNY Buffalo, Buffalo, NY 14260 USA. [Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Haley, J.; Massironi, A.; Nash, D.; Orimoto, T.; Trocino, D.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA. [Anastassov, A.; Hahn, K. A.; Kubik, A.; Lusito, L.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [Berry, D.; Brinkerhoff, A.; Chan, K. M.; Drozdetskiy, A.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Kolb, J.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Morse, D. M.; Pearson, T.; Planer, M.; Ruchti, R.; Slaunwhite, J.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Antonelli, L.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Smith, G.; Vuosalo, C.; Winer, B. L.; Wolfe, H.; Wulsin, H. W.] Ohio State Univ, Columbus, OH 43210 USA. [Berry, E.; Elmer, P.; Halyo, V.; Hebda, P.; Hegeman, J.; Hunt, A.; Jindal, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Raval, A.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zenz, S. C.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Lopez, A.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [Alagoz, E.; Benedetti, D.; Bolla, G.; Bortoletto, D.; De Mattia, M.; Everett, A.; Hu, Z.; Jones, M.; Jung, K.; Kress, M.; Leonardo, N.; Pegna, D. Lopes; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Radburn-Smith, B. C.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Yoo, H. D.; Zablocki, J.; Zheng, Y.] Purdue Univ, W Lafayette, IN 47907 USA. [Parashar, N.; Stupak, J.] 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. 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[Mermerkaya, H.] Erzincan Univ, Erzincan, Turkey. [Yetkin, T.] Yildiz Tech Univ, Istanbul, Turkey. [Bouhali, O.] Texas A&M Univ Qatar, Doha, Qatar. [Kamon, T.] Kyungpook Natl Univ, Fac Sci, Dept Math, Taegu, South Korea. RP Chatrchyan, S (reprint author), Yerevan Phys Inst, Yerevan 375036, Armenia. RI Leonardo, Nuno/M-6940-2016; Goh, Junghwan/Q-3720-2016; Ruiz, Alberto/E-4473-2011; Govoni, Pietro/K-9619-2016; Tuominen, Eija/A-5288-2017; Yazgan, Efe/C-4521-2014; Inst. of Physics, Gleb Wataghin/A-9780-2017; Paganoni, Marco/A-4235-2016; Kirakosyan, Martin/N-2701-2015; Gulmez, Erhan/P-9518-2015; Tinoco Mendes, Andre David/D-4314-2011; Vilela Pereira, Antonio/L-4142-2016; Sznajder, Andre/L-1621-2016; Da Silveira, Gustavo Gil/N-7279-2014; Mundim, Luiz/A-1291-2012; Haj Ahmad, Wael/E-6738-2016; Konecki, Marcin/G-4164-2015; Xie, Si/O-6830-2016; Leonidov, Andrey/M-4440-2013; Andreev, Vladimir/M-8665-2015; Cakir, Altan/P-1024-2015; Matorras, Francisco/I-4983-2015; TUVE', Cristina/P-3933-2015; KIM, Tae Jeong/P-7848-2015; 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; Belyaev, Alexander/F-6637-2015; Stahl, Achim/E-8846-2011; Trocsanyi, Zoltan/A-5598-2009; Cavallo, Nicola/F-8913-2012; Hernandez Calama, Jose Maria/H-9127-2015; ciocci, maria agnese /I-2153-2015; Bedoya, Cristina/K-8066-2014; My, Salvatore/I-5160-2015; Lo Vetere, Maurizio/J-5049-2012; Rovelli, Tiziano/K-4432-2015; Dremin, Igor/K-8053-2015; Hoorani, Hafeez/D-1791-2013; Codispoti, Giuseppe/F-6574-2014; Yazgan, Efe/A-4915-2015; Dahms, Torsten/A-8453-2015; da Cruz e Silva, Cristovao/K-7229-2013; Grandi, Claudio/B-5654-2015; Chinellato, Jose Augusto/I-7972-2012; Petrushanko, Sergey/D-6880-2012; Bernardes, Cesar Augusto/D-2408-2015; Raidal, Martti/F-4436-2012; Lazzizzera, Ignazio/E-9678-2015; Sen, Sercan/C-6473-2014; D'Alessandro, Raffaello/F-5897-2015; Wulz, Claudia-Elisabeth/H-5657-2011; Calvo Alamillo, Enrique/L-1203-2014; VARDARLI, Fuat Ilkehan/B-6360-2013; Dudko, Lev/D-7127-2012; Manganote, Edmilson/K-8251-2013; Paulini, Manfred/N-7794-2014; Vogel, Helmut/N-8882-2014; Ferguson, Thomas/O-3444-2014; Ragazzi, Stefano/D-2463-2009; Benussi, Luigi/O-9684-2014; Leonidov, Andrey/P-3197-2014; Russ, James/P-3092-2014; vilar, rocio/P-8480-2014; Gonzalez Caballero, Isidro/E-7350-2010; Moon, Chang-Seong/J-3619-2014; Gregores, Eduardo/F-8702-2012; Montanari, Alessandro/J-2420-2012; de la Cruz, Begona/K-7552-2014; Scodellaro, Luca/K-9091-2014; Cerrada, Marcos/J-6934-2014; Torassa, Ezio/I-1788-2012; Venturi, Andrea/J-1877-2012; Lokhtin, Igor/D-7004-2012; Calderon, Alicia/K-3658-2014; Josa, Isabel/K-5184-2014; Novaes, Sergio/D-3532-2012 OI Leonardo, Nuno/0000-0002-9746-4594; Goh, Junghwan/0000-0002-1129-2083; Ruiz, Alberto/0000-0002-3639-0368; Govoni, Pietro/0000-0002-0227-1301; Tuominen, Eija/0000-0002-7073-7767; Yazgan, Efe/0000-0001-5732-7950; Paganoni, Marco/0000-0003-2461-275X; Gulmez, Erhan/0000-0002-6353-518X; Tinoco Mendes, Andre David/0000-0001-5854-7699; Vilela Pereira, Antonio/0000-0003-3177-4626; Sznajder, Andre/0000-0001-6998-1108; Da Silveira, Gustavo Gil/0000-0003-3514-7056; Mundim, Luiz/0000-0001-9964-7805; Haj Ahmad, Wael/0000-0003-1491-0446; Konecki, Marcin/0000-0001-9482-4841; Xie, Si/0000-0003-2509-5731; Matorras, Francisco/0000-0003-4295-5668; TUVE', Cristina/0000-0003-0739-3153; KIM, Tae Jeong/0000-0001-8336-2434; 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; Belyaev, Alexander/0000-0002-1733-4408; Stahl, Achim/0000-0002-8369-7506; Trocsanyi, Zoltan/0000-0002-2129-1279; 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; Lo Vetere, Maurizio/0000-0002-6520-4480; Rovelli, Tiziano/0000-0002-9746-4842; Codispoti, Giuseppe/0000-0003-0217-7021; Dahms, Torsten/0000-0003-4274-5476; Grandi, Claudio/0000-0001-5998-3070; Chinellato, Jose Augusto/0000-0002-3240-6270; Lazzizzera, Ignazio/0000-0001-5092-7531; Sen, Sercan/0000-0001-7325-1087; D'Alessandro, Raffaello/0000-0001-7997-0306; Wulz, Claudia-Elisabeth/0000-0001-9226-5812; Calvo Alamillo, Enrique/0000-0002-1100-2963; Dudko, Lev/0000-0002-4462-3192; Paulini, Manfred/0000-0002-6714-5787; Vogel, Helmut/0000-0002-6109-3023; Ferguson, Thomas/0000-0001-5822-3731; Ragazzi, Stefano/0000-0001-8219-2074; Benussi, Luigi/0000-0002-2363-8889; Russ, James/0000-0001-9856-9155; Gonzalez Caballero, Isidro/0000-0002-8087-3199; Moon, Chang-Seong/0000-0001-8229-7829; Montanari, Alessandro/0000-0003-2748-6373; Scodellaro, Luca/0000-0002-4974-8330; Cerrada, Marcos/0000-0003-0112-1691; Novaes, Sergio/0000-0003-0471-8549 FU BMWF (Austria); FWF (Austria); FNRS (Belgium); FWO (Belgium); CNPq (Brazil); CAPES (Brazil); FAPERJ (Brazil); FAPESP (Brazil); MES (Bulgaria); CERN; CAS (China); MoST (China); NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); CSF (Croatia); RPF (Cyprus); MoER [SF0690030s09]; ERDF (Estonia); Academy of Finland (Finland); CEA (France); CNRS/IN2P3 (France); BMBF (Germany); DFG (Germany); HGF (Germany); GSRT (Greece); OTKA (Hungary); NIH (Hungary); DAE (India); DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF (Republic of Korea); WCU (Republic of Korea); LAS (Lithuania); MOE (Malaysia); UM (Malaysia); CINVESTAV (Mexico); CONACYT (Mexico); SEP (Mexico); UASLP-FAI (Mexico); MBIE (New Zealand); PAEC (Pakistan); MSHE (Poland); NSC (Poland); FCT (Portugal); JINR (Dubna); MON (Russia); RosAtom (Russia); RAS (Russia); RFBR (Russia); MESTD (Serbia); SEIDI (Spain); CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter (Thailand); IPST (Thailand); STAR (Thailand); NSTDA (Thailand); TUBITAK (Turkey); TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE (U.S.A.); NSF (U.S.A.); 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; Thalis program; Aristeia program; EU-ESF; Greek NSRF FX We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC and thank the technical and administrative staffs at CERN and at other CMS institutes for their contributions to the success of the CMS effort. In addition, we gratefully acknowledge the computing centres and personnel of the Worldwide LHC Computing Grid for delivering so effectively the computing infrastructure essential to our analyses. Finally, we acknowledge the enduring support for the construction and operation of the LHC and the CMS detector provided by the following funding agencies: BMWF and FWF (Austria); FNRS and FWO (Belgium); CNPq, CAPES, FAPERJ, and FAPESP (Brazil); MES (Bulgaria); CERN; CAS, MoST, and NSFC (China); COLCIENCIAS (Colombia); MSES and CSF (Croatia); RPF (Cyprus); MoER, SF0690030s09 and ERDF (Estonia); Academy of Finland, MEC, and HIP (Finland); CEA and CNRS/IN2P3 (France); BMBF, DFG, and HGF (Germany); GSRT (Greece); OTKA and NIH (Hungary); DAE and DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); NRF and WCU (Republic of Korea); LAS (Lithuania); MOE and UM (Malaysia); CINVESTAV, CONACYT, SEP, and UASLP-FAI (Mexico); MBIE (New Zealand); PAEC (Pakistan); MSHE and NSC (Poland); FCT (Portugal); JINR (Dubna); MON, RosAtom, RAS and RFBR (Russia); MESTD (Serbia); SEIDI and CPAN (Spain); Swiss Funding Agencies (Switzerland); NSC (Taipei); ThEPCenter, IPST, STAR and NSTDA (Thailand); TUBITAK and TAEK (Turkey); NASU (Ukraine); STFC (United Kingdom); DOE and NSF (U.S.A.).; 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 52 TC 12 Z9 13 U1 5 U2 67 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 MAY 23 PY 2014 IS 5 AR 108 DI 10.1007/JHEP05(2014)108 PG 35 WC Physics, Particles & Fields SC Physics GA AK1WA UT WOS:000338207600001 ER PT J AU Lee, JS Richardella, A Rench, DW Fraleigh, RD Flanagan, TC Borchers, JA Tao, J Samarth, N AF Lee, Joon Sue Richardella, Anthony Rench, David W. Fraleigh, Robert D. Flanagan, Thomas C. Borchers, Julie A. Tao, Jing Samarth, Nitin TI Ferromagnetism and spin-dependent transport in n-type Mn-doped bismuth telluride thin films SO PHYSICAL REVIEW B LA English DT Article ID MAGNETIC TOPOLOGICAL INSULATORS; DIRAC-FERMION; SURFACE; PHASE; SEMICONDUCTORS AB We describe a detailed study of the structural, magnetic, and magnetotransport properties of single-crystal, n-type, Mn-doped bismuth telluride thin films grown by molecular beam epitaxy. With increasing Mn concentration, the crystal structure changes from the tetradymite structure of the Bi2Te3 parent crystal at low Mn concentrations towards a BiTe phase in the(Bi2Te3)(m)(Bi-2)(n) homologous series. Magnetization measurements reveal the onset of ferromagnetism with a Curie temperature in the range 13.8-17 K in films with similar to 2%-similar to 10% Mn concentration. Magnetization hysteresis loops reveal that the magnetic easy axis is along the c axis of the crystal (perpendicular to the plane). Polarized neutron reflectivity measurements of a 68-nm-thick sample show that the magnetization is uniform through the film. The presence of ferromagnetism is also manifest in a strong anomalous Hall effect and a hysteretic magnetoresistance arising from domain-wall scattering. Ordinary Hall effect measurements show that the carrier density is n type, increases with Mn doping, and is high enough (>= 2.8 x 10(13) cm(-2)) to place the chemical potential in the conduction band. Thus the observed ferromagnetism is likely associated with both bulk and surface states. Surprisingly, the Curie temperature does not show any clear dependence on the carrier density but does increase with Mn concentration. Our results suggest that the ferromagnetism probed in these Mn-doped bismuth telluride films is not mediated by carriers in the conduction band or in an impurity band. C1 [Lee, Joon Sue; Richardella, Anthony; Rench, David W.; Fraleigh, Robert D.; Flanagan, Thomas C.; Samarth, Nitin] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Borchers, Julie A.] NIST, Gaithersburg, MD 20899 USA. [Tao, Jing] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Lee, JS (reprint author), Penn State Univ, Dept Phys, 104 Davey Lab, University Pk, PA 16802 USA. EM nsamarth@psu.edu RI Samarth, Nitin/C-4475-2014 OI Samarth, Nitin/0000-0003-2599-346X FU ARO through the MURI program; ONR; C-SPIN, one of six centers of STARnet; Semiconductor Research Corporation program; MARCO; DARPA FX This work was primarily supported by ARO through the MURI program (A.R., J.T., T.C.F., and N.S.) and by ONR. N.S., J.S.L., and D.W.R. acknowledge additional support through C-SPIN, one of six centers of STARnet, a Semiconductor Research Corporation program sponsored by MARCO and DARPA. NR 38 TC 10 Z9 10 U1 8 U2 60 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 23 PY 2014 VL 89 IS 17 AR 174425 DI 10.1103/PhysRevB.89.174425 PG 8 WC Physics, Condensed Matter SC Physics GA AI3HC UT WOS:000336750700003 ER PT J AU Moreschini, L Moser, S Ebrahimi, A Piazza, BD Kim, KS Boseggia, S McMorrow, DF Ronnow, HM Chang, J Prabhakaran, D Boothroyd, AT Rotenberg, E Bostwick, A Grioni, M AF Moreschini, L. Moser, S. Ebrahimi, A. Dalla Piazza, B. Kim, K. S. Boseggia, S. McMorrow, D. F. Ronnow, H. M. Chang, J. Prabhakaran, D. Boothroyd, A. T. Rotenberg, E. Bostwick, A. Grioni, M. TI Bilayer splitting and wave functions symmetry in Sr3Ir2O7 SO PHYSICAL REVIEW B LA English DT Article ID ELECTRONIC-STRUCTURE; PHOTOEMISSION; STATES AB The influence of dimensionality on the electronic properties of layered perovskite materials remains an outstanding issue. We address it here for Sr3Ir2O7, the bilayer compound of the iridate Srn+1IrnO3n+1 series. By angle-resolved photoemission spectroscopy we show that in this material the interlayer coupling is large and that the intercell coupling is, conversely, negligible. From a detailed mapping of the bilayer splitting, and from the intensity modulation of the bonding and antibonding bands with photon energy, we establish differences and similarities with the prominent case of the bilayer superconducting cuprates. C1 [Moreschini, L.; Kim, K. S.; Rotenberg, E.; Bostwick, A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Moser, S.; Ebrahimi, A.; Dalla Piazza, B.; Ronnow, H. M.; Chang, J.; Grioni, M.] Ecole Polytech Fed Lausanne, Inst Condensed Matter Phys, CH-1015 Lausanne, Switzerland. [Kim, K. S.] Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea. [Kim, K. S.] Inst for Basic Sci, Ctr Artificial Low Dimens Elect Syst, Pohang 790784, South Korea. [Boseggia, S.; McMorrow, D. F.] UCL, London Ctr Nanotechnol, London WC1E 6BT, England. [Boseggia, S.] Diamond Light Source Ltd, Didcot OX11 0DE, Oxon, England. [Prabhakaran, D.; Boothroyd, A. T.] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. RP Moreschini, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM lmoreschini@lbl.gov RI Rotenberg, Eli/B-3700-2009; Dalla Piazza, Bastien/M-6954-2014; McMorrow, Desmond/C-2655-2008; Chang, Johan/F-1506-2014; EPFL, Physics/O-6514-2016 OI Rotenberg, Eli/0000-0002-3979-8844; Dalla Piazza, Bastien/0000-0003-4997-7165; McMorrow, Desmond/0000-0002-4947-7788; Chang, Johan/0000-0002-4655-1516; FU Swiss NSF [PA00P21-36420]; Sinergia network on Mott Physics Beyond the Heisenberg Model (MPBH); Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; EPSRC FX L.M. and S.M. equally contributed to this work. We gratefully acknowledge discussions with B. J. Kim, Yeongkwan Kim, and Y. Cao. We acknowledge support by the Swiss NSF, namely, through Grant No. PA00P21-36420 (L.M.) and the Sinergia network on Mott Physics Beyond the Heisenberg Model (MPBH). 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 in the UK was supported by EPSRC. NR 34 TC 8 Z9 8 U1 3 U2 44 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 23 PY 2014 VL 89 IS 20 AR 201114 DI 10.1103/PhysRevB.89.201114 PG 5 WC Physics, Condensed Matter SC Physics GA AI3IK UT WOS:000336754300001 ER PT J AU Plumb, KW Savici, AT Granroth, GE Chou, FC Kim, YJ AF Plumb, K. W. Savici, A. T. Granroth, G. E. Chou, F. C. Kim, Young-June TI High-energy continuum of magnetic excitations in the two-dimensional quantum antiferromagnet Sr2CuO2Cl2 SO PHYSICAL REVIEW B LA English DT Article ID NEUTRON-SCATTERING; SPIN EXCITATIONS; SQUARE-LATTICE; MOTT INSULATOR; COPPER OXIDES; ABSORPTION; LA2CUO4 AB We have measured the magnetic excitation spectrum of the model square-lattice spin-1/2 antiferromagnet Sr2CuO2Cl2 over a broad range of energies and momenta using high-resolution inelastic neutron scattering (INS). The magnon dispersion along the zone boundary was accurately measured to be a 43 meV between (1/2,0) and (3/4,1/4) indicating the importance of coupling beyond nearest neighbors in the spin Hamiltonian. We observe a strong momentum dependent damping of the zone-boundary magnons at (1/2,0) revealing a high-energy continuum of magnetic excitations. A direct comparison between our INS measurements and resonant inelastic x-ray scattering (RIXS) measurements shows that the RIXS spectrum contains significant contributions from higher energy excitations not previously considered. Our observations demonstrate that this high-energy continuum of magnetic fluctuations is an ubiquitous feature of insulating monolayer cuprates, apparent in both inelastic neutron and light scattering measurements. C1 [Plumb, K. W.; Kim, Young-June] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Savici, A. T.; Granroth, G. E.] Oak Ridge Natl Lab, Neutron Data Anal & Visualizat Div, Oak Ridge, TN 37831 USA. [Granroth, G. E.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Chou, F. C.] Natl Taiwan Univ, Ctr Condensed Matter Sci, Taipei 10617, Taiwan. RP Plumb, KW (reprint author), Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. RI Kim, Young-June /G-7196-2011; Granroth, Garrett/G-3576-2012; Savici, Andrei/F-2790-2013 OI Kim, Young-June /0000-0002-1172-8895; Granroth, Garrett/0000-0002-7583-8778; Savici, Andrei/0000-0001-5127-8967 FU NSERC of Canada; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; Ontario Graduate Scholarship FX We would like to thank John Hill, Mark Dean, and Jeroen van den Brink for thoughtful comments and critical readings of this manuscript. We are also thankful to Michel Gingras for insightful discussions. Work at the University of Toronto was supported by NSERC of Canada. Work at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. K.W.P. acknowledges the support of the Ontario Graduate Scholarship. NR 30 TC 8 Z9 8 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 MAY 23 PY 2014 VL 89 IS 18 AR 180410 DI 10.1103/PhysRevB.89.180410 PG 5 WC Physics, Condensed Matter SC Physics GA AI3HL UT WOS:000336751600001 ER PT J AU Salvat, DJ Adamek, ER Barlow, D Bowman, JD Broussard, LJ Callahan, NB Clayton, SM Cude-Woods, C Currie, S Dees, EB Fox, W Geltenbort, P Hickerson, KP Holley, AT Liu, CY Makela, M Medina, J Morley, DJ Morris, CL Penttila, SI Ramsey, J Saunders, A Seestrom, SJ Sharapov, EI Sjue, SKL Slaughter, BA Vanderwerp, J VornDick, B Walstrom, PL Wang, Z Womack, TL Young, AR AF Salvat, D. J. Adamek, E. R. Barlow, D. Bowman, J. D. Broussard, L. J. Callahan, N. B. Clayton, S. M. Cude-Woods, C. Currie, S. Dees, E. B. Fox, W. Geltenbort, P. Hickerson, K. P. Holley, A. T. Liu, C. -Y. Makela, M. Medina, J. Morley, D. J. Morris, C. L. Penttilae, S. I. Ramsey, J. Saunders, A. Seestrom, S. J. Sharapov, E. I. Sjue, S. K. L. Slaughter, B. A. Vanderwerp, J. VornDick, B. Walstrom, P. L. Wang, Z. Womack, T. L. Young, A. R. TI Storage of ultracold neutrons in the magneto-gravitational trap of the UCN tau experiment SO PHYSICAL REVIEW C LA English DT Article ID MAGNETIC TRAP; COLD NEUTRONS; LIFETIME; CHAMBER AB The UCN tau experiment is designed to measure the lifetime tau(n) of the free neutron by trapping ultracold neutrons (UCN) in a magneto-gravitational trap. An asymmetric bowl-shaped NdFeB magnet Halbach array confines low-field-seeking UCN within the apparatus, and a set of electromagnetic coils in a toroidal geometry provides a background "holding" field to eliminate depolarization-induced UCN loss caused by magnetic field nodes. We present a measurement of the storage time tstore of the trap by storing UCN for various times and counting the survivors. The data are consistent with a single exponential decay, and we find tau(store) = 860 +/- 19 s, within 1s of current global averages for tau(n). The storage time with the holding field deactivated is found to be tau(store) = 470 +/- 160 s; this decreased storage time is due to the loss of UCN, which undergo Majorana spin flips while being stored. We discuss plans to increase the statistical sensitivity of the measurement and investigate potential systematic effects. C1 [Salvat, D. J.; Adamek, E. R.; Callahan, N. B.; Cude-Woods, C.; Fox, W.; Holley, A. T.; Liu, C. -Y.; Slaughter, B. A.; Vanderwerp, J.] Indiana Univ, Bloomington, IN 47405 USA. [Barlow, D.; Broussard, L. J.; Clayton, S. M.; Currie, S.; Makela, M.; Medina, J.; Morley, D. J.; Morris, C. L.; Ramsey, J.; Saunders, A.; Seestrom, S. J.; Sjue, S. K. L.; Walstrom, P. L.; Wang, Z.; Womack, T. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Bowman, J. D.; Penttilae, S. I.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Dees, E. B.; VornDick, B.; Young, A. R.] N Carolina State Univ, Raleigh, NC 27695 USA. [Geltenbort, P.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. [Hickerson, K. P.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Sharapov, E. I.] Joint Inst Nucl Res, Dubna 141980, Russia. RP Salvat, DJ (reprint author), Indiana Univ, Bloomington, IN 47405 USA. OI Makela, Mark/0000-0003-0592-3683; Currie, Scott/0000-0002-6164-7321; Morris, Christopher/0000-0003-2141-0255; Clayton, Steven/0000-0002-1401-2761 FU LANL LDRD program; LANL DOE [2015LANLE9BU]; Indiana University NSF Grants [PHY-0969490, PHY-1068712]; NCSU NSF [1005233 / DOE, DE-FG02-97ER41042]; DOE Office of Science Graduate Fellowship Program (DOE SCGF); ORISE-ORAU [DE-AC05-06OR23100]; IU Center for Spacetime Symmetries FX This work is supported by the LANL LDRD program, LANL DOE Grant No. 2015LANLE9BU, the Indiana University NSF Grants No. PHY-0969490 and No. PHY-1068712, and NCSU NSF Grant No. 1005233 / DOE Grant No. DE-FG02-97ER41042. Author D.J.S. is supported by the DOE Office of Science Graduate Fellowship Program (DOE SCGF), made possible in part by the American Recovery and Reinvestment Act of 2009, administered by ORISE-ORAU under Contract No. DE-AC05-06OR23100. Authors C.-Y.L., E.R.A., A.T.H., and D.J.S. acknowledge support from the IU Center for Spacetime Symmetries. We thank J. Bradley and J. Lyles for their assistance and helpful discussions. NR 45 TC 14 Z9 14 U1 1 U2 14 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 EI 1089-490X J9 PHYS REV C JI Phys. Rev. C PD MAY 23 PY 2014 VL 89 IS 5 AR 052501 DI 10.1103/PhysRevC.89.052501 PG 6 WC Physics, Nuclear SC Physics GA AI3JI UT WOS:000336756800001 ER PT J AU Anderson, PR Mottola, E AF Anderson, Paul R. Mottola, Emil TI Instability of global de Sitter space to particle creation SO PHYSICAL REVIEW D LA English DT Article ID ABOVE-BARRIER REFLECTION; ENERGY-MOMENTUM TENSOR; QUANTUM FIELD-THEORY; ADIABATIC REGULARIZATION; DE-SITTER; PAIR PRODUCTION; ELECTRIC-FIELD; EXTERNAL FIELDS; SCALAR FIELD; DARK ENERGY AB We show that global de Sitter space is unstable to particle creation, even for a massive free field theory with no self-interactions. The O(4, 1) de Sitter invariant state is a definite phase coherent superposition of particle and antiparticle solutions in both the asymptotic past and future and, therefore, is not a true vacuum state. In the closely related case of particle creation by a constant, uniform electric field, a time symmetric state analogous to the de Sitter invariant one is constructed, which is also not a stable vacuum state. We provide the general framework necessary to describe the particle creation process, the mean particle number, and dynamical quantities such as the energy-momentum tensor and current of the created particles in the de Sitter and electric field backgrounds respectively in real time, establishing the connection to kinetic theory. We compute the energy-momentum tensor for adiabatic vacuum states in de Sitter space initialized at early times in global S-3 sections and show that particle creation in the contracting phase results in exponentially large energy densities at later times, necessitating an inclusion of their backreaction effects and leading to large deviation of the spacetime from global de Sitter space before the expanding phase can begin. C1 [Anderson, Paul R.] Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA. [Mottola, Emil] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Anderson, PR (reprint author), Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA. EM anderson@wfu.edu; emil@lanl.gov OI Mottola, Emil/0000-0003-1067-1388 FU National Science Foundation [PHY-0856050, PHY-1308325]; WFU's Provost Office and Information Systems Department FX P. R. A. would like to thank Dillon Sanders for help with the early stages of this project, and we also thank Ivan Argullo and Andrei Barvinski for careful reading and helpful comments on the manuscript. This work was supported in part by the National Science Foundation under Grants No. PHY-0856050 and No. PHY-1308325. Some of the plots were generated and some of the numerical computations were performed on the WFU DEAC cluster; we thank WFU's Provost Office and Information Systems Department for their generous support. NR 79 TC 28 Z9 28 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 MAY 23 PY 2014 VL 89 IS 10 AR 104038 DI 10.1103/PhysRevD.89.104038 PG 34 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AI3KV UT WOS:000336761100007 ER PT J AU Anderson, PR Mottola, E AF Anderson, Paul R. Mottola, Emil TI Quantum vacuum instability of "eternal" de Sitter space SO PHYSICAL REVIEW D LA English DT Article ID STRONG ELECTRIC-FIELD; PAIR PRODUCTION; PARTICLE CREATION; GORDON EQUATION; SCALAR FIELD; DARK ENERGY; SUPERNOVAE; CONSTANT; MODEL; HORIZONS AB The Euclidean or Bunch-Davies O(4, 1) invariant state for quantum fields in global de Sitter space is shown to be unstable to small perturbations, even for a massive free field with no self-interactions. There are perturbations of this state with energy density that is arbitrarily small at early times, is exponentially blueshifted in the contracting phase of "eternal" de Sitter space, and becomes large enough to disturb the classical geometry through the semi-classical Einstein equations at later times. In the closely analogous case of a constant, uniform electric field, a time symmetric state equivalent to the de Sitter invariant one is constructed, which is also not a stable vacuum state under perturbations. The role of a quantum anomaly in the growth of perturbations and symmetry breaking is emphasized in both cases. In de Sitter space, the same results are obtained either directly from the renormalized stress tensor of a massive scalar field, or for massless conformal fields of any spin, more directly from the effective action and stress tensor associated with the conformal trace anomaly. The anomaly stress tensor shows that states invariant under the O(4) subgroup of the de Sitter group are also unstable to perturbations of lower spatial symmetry, implying that both the O(4, 1) isometry group and its O(4) subgroup are broken by quantum fluctuations. Potential consequences of this result for cosmology and the problem of vacuum energy are discussed. C1 [Anderson, Paul R.] Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA. [Mottola, Emil] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Anderson, PR (reprint author), Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA. EM anderson@wfu.edu; emil@lanl.gov OI Mottola, Emil/0000-0003-1067-1388 FU National Science Foundation [PHY-0856050, PHY-1308325]; WFU's Provost Office and Information Systems Department FX P. R. A. would like to thank Dillon Sanders for help with the early stages of this project. This work was supported in part by the National Science Foundation under Grants No. PHY-0856050 and No. PHY-1308325. Some of the plots were generated and some of the numerical computations were performed on the WFU DEAC cluster; we thank WFU's Provost Office and Information Systems Department for their generous support. NR 64 TC 19 Z9 19 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 23 PY 2014 VL 89 IS 10 AR 104039 DI 10.1103/PhysRevD.89.104039 PG 29 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AI3KV UT WOS:000336761100008 ER PT J AU Wang, HX Zhang, HY Lv, YQ Syec, F Tan, TW AF Wang, Hongxia Zhang, Haiyang Lv, Yongqin Syec, Frantisek Tan, Tianwei TI Polymer monoliths with chelating functionalities for solid phase extraction of metal ions from water SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE Chelating adsorbent; Glycidyl methacrylate; Metal ions; Monolith; Recovery ID CO-ETHYLENE DIMETHACRYLATE); AQUEOUS-SOLUTION; HEAVY-METALS; REACTIVE POLYMERS; MESOPOROUS SILICA; MAGNETIC NANOPARTICLES; SURFACE-CHEMISTRY; TRANSITION-METALS; COPPER IONS; REMOVAL AB Simple devices for the adsorption and preconcentration of metal ions comprising various monolithic polymers have been prepared by in situ polymerization within the 5.5 cm long and 5.6 mm i.d. polypropylene syringes. Poly(glycidyl methacrylate-co-ethylene dimethacrylate) monolith was modified with ethylenediamine to obtain the chelating material. The poly(butyl methacrylate-co-ethylene dimethacrylate) and poly(lauryl methacrylate-co-ethylene dimethacrylate) monoliths were first photografted with glycidyl methacrylate prior to functionalization with ethylenediamine. Alternatively, other chelating functionalities including poly(ethylene imines) varying in molecular weight and shape (linear and branched) as well as lysozyme were also attached to the monolithic supports. We found that the poly(glycidyl methacrylate-co-ethylene dimethacrylate) monolith functionalized with ethylenediamine exhibited the best chelating properties characterized with rapid adsorption and a capacity of 111.2 mg/g (537 mu mol/g) for Pb2+, 38.1 mg/g (649 mu mol/g) for Ni2+, 69.9 mg/g (1100 mu mol/g) for Cu2+, and 188.9 mg/g (3633 mu mol/g) for Cr3+. The very fast desorption was then achieved using 1.0 mol/L HNO3 as the eluent. An enrichment factor of 300 was observed for metal ions adsorbed from solutions containing 2 ppb of the metal. (C) 2014 Elsevier B.V. All rights reserved. C1 [Wang, Hongxia; Zhang, Haiyang; Lv, Yongqin; Tan, Tianwei] Beijing Univ Chem Technol, Coll Life Sci & Technol, Beijing Key Lab Bioproc, Beijing 100029, Peoples R China. [Syec, Frantisek] EO Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Lv, YQ (reprint author), Beijing Univ Chem Technol, Coll Life Sci & Technol, Beijing Key Lab Bioproc, Beijing 100029, Peoples R China. EM lvyq@mail.buct.edu.cn; twtan@mail.buct.edu.cn RI Foundry, Molecular/G-9968-2014 FU 973 programs [2014CB745103, 2013CB733603]; National Natural Science Foundation of China [21306006, 21390202]; Public Hatching Platform for Recruited Talents of Beijing University of Chemical Technology; High-Level Faculty Program of Beijing University of Chemical Technology [20130805] FX All experimental and characterization work was carried out at Beijing Key Lab of Bioprocess at Beijing University of Chemical Technology. H.W., H.Z., Y.L. and T.T. gratefully acknowledge the financial supports from the special assistance of 973 programs (2014CB745103, and 2013CB733603), the National Natural Science Foundation of China (21306006, and 21390202), Public Hatching Platform for Recruited Talents of Beijing University of Chemical Technology, High-Level Faculty Program of Beijing University of Chemical Technology (20130805). NR 65 TC 15 Z9 15 U1 7 U2 86 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 MAY 23 PY 2014 VL 1343 BP 128 EP 134 DI 10.1016/j.chroma.2014.03.072 PG 7 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA AH5UE UT WOS:000336195800016 PM 24745847 ER PT J AU Zhang, L Meng, Y Yang, WG Wang, L Mao, WL Zeng, QS Jeong, JS Wagner, AJ Mkhoyan, KA Liu, WJ Xu, RQ Mao, HK AF Zhang, Li Meng, Yue Yang, Wenge Wang, Lin Mao, Wendy L. Zeng, Qiao-Shi Jeong, Jong Seok Wagner, Andrew J. Mkhoyan, K. Andre Liu, Wenjun Xu, Ruqing Mao, Ho-kwang TI Disproportionation of (Mg,Fe)SiO3 perovskite in Earth's deep lower mantle SO SCIENCE LA English DT Article ID EQUATION-OF-STATE; POST-PEROVSKITE; PHASE-TRANSITION; D''-LAYER; IRON; TEMPERATURE; MGSIO3; HETEROGENEITY; SOLUBILITY; MODEL AB The mineralogical constitution of the Earth's mantle dictates the geophysical and geochemical properties of this region. Previous models of a perovskite-dominant lower mantle have been built on the assumption that the entire lower mantle down to the top of the D" layer contains ferromagnesian silicate [(Mg,Fe)SiO3] with nominally 10 mole percent Fe. On the basis of experiments in laser-heated diamond anvil cells, at pressures of 95 to 101 gigapascals and temperatures of 2200 to 2400 kelvin, we found that such perovskite is unstable; it loses its Fe and disproportionates to a nearly Fe-free MgSiO3 perovskite phase and an Fe-rich phase with a hexagonal structure. This observation has implications for enigmatic seismic features beyond similar to 2000 kilometers depth and suggests that the lower mantle may contain previously unidentified major phases. C1 [Zhang, Li; Yang, Wenge; Wang, Lin; Mao, Ho-kwang] Ctr High Pressure Sci & Technol Adv Res HPSTAR, Shanghai 201203, Peoples R China. [Zhang, Li; Mao, Ho-kwang] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. [Meng, Yue] CIW, Geophys Lab, HPCAT, Argonne, IL 60439 USA. [Yang, Wenge; Wang, Lin] CIW, Geophys Lab, High Pressure Synerget Consortium HPSynC, Argonne, IL 60439 USA. [Mao, Wendy L.; Zeng, Qiao-Shi] Stanford Univ, Stanford, CA 94305 USA. [Mao, Wendy L.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Jeong, Jong Seok; Wagner, Andrew J.; Mkhoyan, K. Andre] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. [Liu, Wenjun; Xu, Ruqing] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Zhang, L (reprint author), Ctr High Pressure Sci & Technol Adv Res HPSTAR, Shanghai 201203, Peoples R China. EM zhangli@hpstar.ac.cn RI Zhang, Li/I-4658-2013; Jeong, Jong Seok/G-5022-2010; Xu, Ruqing/K-3586-2012; Zeng, Qiaoshi/I-8688-2012; OI Jeong, Jong Seok/0000-0002-5570-748X; Xu, Ruqing/0000-0003-1037-0059; Zeng, Qiaoshi/0000-0001-5960-1378; Mkhoyan, Andre/0000-0003-3568-5452 FU National Science Foundation (NSF) grants [EAR-0911492, EAR-1119504, EAR-1141929, EAR-1345112]; U.S. Department of Energy-National Nuclear Security Administration (DOE-NNSA) [DE-NA0001974]; DOE-Basic Energy Sciences (BES) [DE-FG02-99ER45775]; NSF; EFree, an Energy Frontier Research Center - DOE-BES [DE-SC0001057]; NSF-Earth Sciences [EAR-1128799]; DOE-GeoSciences [DE-FG02-94ER14466]; DOE-BES [DE-AC02-06CH11357]; Materials Research and Engineering Center program of the NSF [DMR-0819885] FX We thank Y. Fei for providing the pv10 starting material; J. Shu, M. Somayazulu, E. Rod, G. Shen, S. Sinogeikin, P. Dera, V. Prakapenka, and S. Tkachev for their technical support. We also thank S. Merkel for introducing us to the indexing software. The research is supported by National Science Foundation (NSF) grants EAR-0911492, EAR-1119504, EAR-1141929, and EAR-1345112. This work was performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT operations are supported by the U.S. Department of Energy-National Nuclear Security Administration (DOE-NNSA) under award DE-NA0001974 and DOE-Basic Energy Sciences (BES) under award DE-FG02-99ER45775, with partial instrumentation funding by NSF. HPSynC is supported as part of EFree, an Energy Frontier Research Center funded by DOE-BES under grant DE-SC0001057. Portions of this work were performed at GeoSoilEnviroCARS (sector 13), APS, supported by the NSF-Earth Sciences (EAR-1128799) and DOE-GeoSciences (DE-FG02-94ER14466), at 34ID-E beamline, APS, and at 15U1, Shanghai Synchrotron Radiation Facility. Use of the APS facility was supported by DOE-BES under contract DE-AC02-06CH11357. This work was also partially supported by the Materials Research and Engineering Center program of the NSF under award DMR-0819885. Part of this work was carried out in the Characterization Facility of the University of Minnesota. All other data used to support conclusions in this manuscript are provided in the supplementary materials NR 27 TC 32 Z9 35 U1 7 U2 95 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 MAY 23 PY 2014 VL 344 IS 6186 BP 877 EP 882 DI 10.1126/science.1250274 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AH6IL UT WOS:000336233800041 PM 24855264 ER PT J AU Ivanova, NN Schwientek, P Tripp, HJ Rinke, C Pati, A Huntemann, M Visel, A Woyke, T Kyrpides, NC Rubin, EM AF Ivanova, Natalia N. Schwientek, Patrick Tripp, H. James Rinke, Christian Pati, Amrita Huntemann, Marcel Visel, Axel Woyke, Tanja Kyrpides, Nikos C. Rubin, Edward M. TI Stop codon reassignments in the wild SO SCIENCE LA English DT Article ID GENETIC-CODE; METAGENOME; BACTERIA; GENOME; EVOLUTION; SEQUENCE; UGA AB The canonical genetic code is assumed to be deeply conserved across all domains of life with very few exceptions. By scanning 5.6 trillion base pairs of metagenomic data for stop codon reassignment events, we detected recoding in a substantial fraction of the >1700 environmental samples examined. We observed extensive opal and amber stop codon reassignments in bacteriophages and of opal in bacteria. Our data indicate that bacteriophages can infect hosts with a different genetic code and demonstrate phage-host antagonism based on code differences. The abundance and diversity of genetic codes present in environmental organisms should be considered in the design of engineered organisms with altered genetic codes in order to preclude the exchange of genetic information with naturally occurring species. C1 [Ivanova, Natalia N.; Schwientek, Patrick; Tripp, H. James; Rinke, Christian; Pati, Amrita; Huntemann, Marcel; Visel, Axel; Woyke, Tanja; Kyrpides, Nikos C.; Rubin, Edward M.] Dept Energy Joint Genome Inst DOE JGI, Walnut Creek, CA 94598 USA. [Visel, Axel; Rubin, Edward M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Visel, Axel] Univ Calif, Sch Nat Sci, Merced, CA 95343 USA. RP Rubin, EM (reprint author), Dept Energy Joint Genome Inst DOE JGI, Walnut Creek, CA 94598 USA. EM emrubin@lbl.gov RI Visel, Axel/A-9398-2009; Kyrpides, Nikos/A-6305-2014; OI Visel, Axel/0000-0002-4130-7784; Kyrpides, Nikos/0000-0002-6131-0462; Rinke, Christian/0000-0003-4632-1187 FU Office of Science of DOE [DE-AC02-05CH11231] FX We thank the DOE JGI production sequencing, IMG, and Genomes OnLine Database teams for their support and J. Kim, A. Tadmor, and A. Nord for reviewing the manuscript. The work conducted by the DOE JGI was supported in part by the Office of Science of DOE under contract DE-AC02-05CH11231. Supporting data can be accessed through www.jgi.doe.gov and can be downloaded from http://portal.nersc.gov/dna/microbial/prokpubs/recoding. NR 24 TC 29 Z9 31 U1 3 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 MAY 23 PY 2014 VL 344 IS 6186 BP 909 EP 913 DI 10.1126/science.1250691 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AH6IL UT WOS:000336233800050 PM 24855270 ER PT J AU Wang, SC Li, EY Porth, I Chen, JG Mansfield, SD Douglas, CJ AF Wang, Shucai Li, Eryang Porth, Ilga Chen, Jin-Gui Mansfield, Shawn D. Douglas, Carl J. TI Regulation of secondary cell wall biosynthesis by poplar R2R3 MYB transcription factor PtrMYB152 in Arabidopsis SO SCIENTIFIC REPORTS LA English DT Article ID WOOD FORMATION; MODEL SYSTEM; POPULUS; GENE; FAMILY; DIFFERENTIATION; DEPOSITION; THALIANA; SWITCHES; PROTEIN AB Poplar has 192 annotated R2R3 MYB genes, of which only three have been shown to play a role in the regulation of secondary cell wall formation. Here we report the characterization of PtrMYB152, a poplar homolog of the Arabidopsis R2R3 MYB transcription factor AtMYB43, in the regulation of secondary cell wall biosynthesis. The expression of PtrMYB152 in secondary xylem is about 18 times of that in phloem. When expressed in Arabidopsis under the control of either 35S or PtrCesA8 promoters, PtrMYB152 increased secondary cell wall thickness, which is likely caused by increased lignification. Accordingly, elevated expression of genes encoding sets of enzymes in secondary wall biosynthesis were observed in transgenic plants expressing PtrMYB152. Arabidopsis protoplast transfection assays suggested that PtrMYB152 functions as a transcriptional activator. Taken together, our results suggest that PtrMYB152 may be part of a regulatory network activating expression of discrete sets of secondary cell wall biosynthesis genes. C1 [Wang, Shucai] NE Normal Univ, Key Lab Mol Epigenet MOE, Changchun 130024, Peoples R China. [Wang, Shucai] NE Normal Univ, Key Lab Vegetat Ecol MOE, Changchun 130024, Peoples R China. [Wang, Shucai; Li, Eryang; Chen, Jin-Gui; Douglas, Carl J.] Univ British Columbia, Dept Bot, Vancouver, BC V6T 1Z4, Canada. [Porth, Ilga; Mansfield, Shawn D.] Univ British Columbia, Dept Wood Sci, Vancouver, BC V6T 1Z4, Canada. [Chen, Jin-Gui] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Wang, SC (reprint author), NE Normal Univ, Key Lab Mol Epigenet MOE, Changchun 130024, Peoples R China. EM wangsc550@nenu.edu.cn; carl.douglas@botany.ubc.ca RI Chen, Jin-Gui/A-4773-2011; Porth, Ilga/N-4862-2015 OI Chen, Jin-Gui/0000-0002-1752-4201; Porth, Ilga/0000-0002-9344-6348 FU Genome British Columbia Applied Genomics Innovation Program [103BIO]; Programme for Introducing Talents to Universities [B07017]; Northeast Normal University FX We thank Drs. Tom Guilfoyle and Gretchen Hagen (University of Missouri-Columbia) for providing vectors for protoplast transfection assays, the UBC Bioimaging Facility for technical assistance, and all members in the Applied Genomics Innovation Program (AGIP) project for their helpful discussion. This work was supported by funds from the Genome British Columbia (www.genomebc.ca) Applied Genomics Innovation Program project 103BIO to C.J.D and S.D.M., and by the Programme for Introducing Talents to Universities (B07017) and a startup fund from Northeast Normal University (www.nenu.edu.cn) to S.W. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 43 TC 28 Z9 29 U1 3 U2 40 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD MAY 23 PY 2014 VL 4 AR 5054 DI 10.1038/srep05054 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AH6TS UT WOS:000336264200009 PM 24852237 ER PT J AU Wakao, S Chin, BL Ledford, HK Dent, RM Casero, D Pellegrini, M Merchant, SS Niyogi, KK AF Wakao, Setsuko Chin, Brian L. Ledford, Heidi K. Dent, Rachel M. Casero, David Pellegrini, Matteo Merchant, Sabeeha S. Niyogi, Krishna K. TI Phosphoprotein SAK1 is a regulator of acclimation to singlet oxygen in Chlamydomonas reinhardtii SO ELIFE LA English DT Article DE Singlet oxygen; Retrograde signaling; Photosynthesis; Photo-oxidative stress ID HEME-BINDING PROTEIN; NUCLEAR GENE-EXPRESSION; ARABIDOPSIS-THALIANA; OXIDATIVE STRESS; HIGH LIGHT; DIFFERENTIAL EXPRESSION; SIGNAL-TRANSDUCTION; FATTY-ACIDS; RESPONSES; PLANTS AB Singlet oxygen is a highly toxic and inevitable byproduct of oxygenic photosynthesis. The unicellular green alga Chlamydomonas reinhardtii is capable of acclimating specifically to singlet oxygen stress, but the retrograde signaling pathway from the chloroplast to the nucleus mediating this response is unknown. Here we describe a mutant, singlet oxygen acclimation knocked-out I (saki), that lacks the acclimation response to singlet oxygen. Analysis of genome-wide changes in RNA abundance during acclimation to singlet oxygen revealed that SAKI is a key regulator of the gene expression response during acclimation. The SAKI gene encodes an uncharacterized protein with a domain conserved among chlorophytes and present in some bZIP transcription factors. The SAKI protein is located in the cytosol, and it is induced and phosphorylated upon exposure to singlet oxygen, suggesting that it is a critical intermediate component of the retrograde signal transduction pathway leading to singlet oxygen acclimation. C1 [Wakao, Setsuko; Chin, Brian L.; Ledford, Heidi K.; Dent, Rachel M.; Niyogi, Krishna K.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Casero, David; Pellegrini, Matteo] Univ Calif Los Angeles, Dept Mol Cell & Dev Biol, Los Angeles, CA 90095 USA. [Merchant, Sabeeha S.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Pellegrini, Matteo; Merchant, Sabeeha S.] Univ Calif Los Angeles, Inst Genom & Prote, Los Angeles, CA 90095 USA. [Niyogi, Krishna K.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Niyogi, Krishna K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Niyogi, KK (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. EM niyogi@berkeley.edu OI Casero, David/0000-0002-7347-3330 FU NIGMS NIH HHS [R01 GM071908, R24 GM092473] NR 79 TC 10 Z9 10 U1 2 U2 8 PU ELIFE SCIENCES PUBLICATIONS LTD PI CAMBRIDGE PA SHERATON HOUSE, CASTLE PARK, CAMBRIDGE, CB3 0AX, ENGLAND SN 2050-084X J9 ELIFE JI eLife PD MAY 23 PY 2014 VL 3 AR e02286 DI 10.7554/eLife.02286 PG 52 WC Biology SC Life Sciences & Biomedicine - Other Topics GA AH6PS UT WOS:000336253600003 PM 24859755 ER PT J AU Fox, PJ Jung, G Sorensen, P Weiner, N AF Fox, Patrick J. Jung, Gabriel Sorensen, Peter Weiner, Neal TI Dark matter in light of the LUX results SO PHYSICAL REVIEW D LA English DT Article ID CONSTRAINTS; SEARCH AB The landscape of dark matter (DM) direct detection has been profoundly altered by the slew of recent experiments. While some have claimed signals consistent with dark matter, others have seen few, if any, events consistent with dark matter. The results of the putative detections are often incompatible with each other in the context of naive spin-independent scattering, as well as with the null results. In particular, in light of the conflicts between the DM interpretation of the three events recently reported by the CDMS-Si experiment and the first results of the LUX experiment, there is a strong need to revisit the assumptions that go into the DM interpretations of both signals and limits. We attempt to reexamine a number of particle physics, astrophysics and experimental uncertainties. Specifically, we examine exothermic scattering, isospin-dependent couplings, modified halo models through astrophysics-independent techniques, and variations in the assumptions about the scintillation light in liquid xenon. We find that only a highly tuned isospin-dependent scenario remains as a viable explanation of the claimed detections, unless the scintillation properties of LXe are dramatically different from the assumptions used by the LUX experiment. C1 [Fox, Patrick J.; Jung, Gabriel] Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. [Sorensen, Peter] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Weiner, Neal] NYU, Dept Phys, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. RP Fox, PJ (reprint author), Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. FU NSF [PHY-0947827, PHY-1316753]; United States Department of Energy [DE-AC02-07CH11359]; National Science Foundation [NSF PHY11-25915]; European Union FP7 ITN INVISIBLES (Marie Curie Actions) [PITN-GA-2011-289442] FX We thank Prateek Agrawal, Dan Hooper, and Felix Yu for helpful discussions. N. W. is supported by NSF grant PHY-0947827 and PHY-1316753. Fermilab is operated by Fermi Research Alliance, LLC, under Contract DE-AC02-07CH11359 with the United States Department of Energy. P. F. and N. W. would like to thank the KITP where part of this work was completed. This research was supported in part by the National Science Foundation under Grant No. NSF PHY11-25915. P. J. F. and N. W. acknowledge partial support from the European Union FP7 ITN INVISIBLES (Marie Curie Actions, PITN-GA-2011-289442). NR 49 TC 12 Z9 12 U1 1 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 22 PY 2014 VL 89 IS 10 AR 103526 DI 10.1103/PhysRevD.89.103526 PG 13 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AO7ZN UT WOS:000341571800003 ER PT J AU Lee, SH Ko, BR Won, E Abdesselam, A Adachi, I Aihara, H Asner, DM Aushev, T Ayad, R Bakich, AM Bala, A Bansal, V Bhardwaj, V Bhuyan, B Bonvicini, G Bozek, A Browder, TE Cervenkov, D Chen, A Cheon, BG Chistov, R Cho, K Chobanova, V Choi, SK Choi, Y Cinabro, D Dalseno, J Danilov, M Dolezal, Z Drasal, Z Drutskoy, A Eidelman, S Epifanov, D Farhat, H Fast, JE Ferber, T Frey, A Gaur, V Gabyshev, N Ganguly, S Garmash, A Gillard, R Goh, YM Golob, B Hayashii, H He, XH Hoshi, Y Hyun, HJ Iijima, T Ishikawa, A Itoh, R Iwasaki, Y Iwashita, T Jaegle, I Julius, T Kang, JH Kato, Y Kawasaki, T Kiesling, C Kim, BH Kim, DY Kim, JB Kim, JH Kim, MJ Kinoshita, K Klucar, J Kodys, P Korpar, S Krizan, P Krokovny, P Kuhr, T Kumita, T Kwon, YJ Lange, JS Li, Y Gioi, LL Libby, J Liventsev, D Matvienko, D Miyabayashi, K Miyata, H Moll, A Mori, T Mussa, R Nagasaka, Y Nakano, E Nakao, M Nayak, M Nedelkovska, E Nisar, NK Nishida, S Nitoh, O Ogawa, S Okuno, S Pakhlov, P Pakhlova, G Park, HK Pedlar, TK Peng, T Pestotnik, R Petric, M Piilonen, LE Poluektov, A Ribezl, E Ritter, M Rohrken, M Rostomyan, A Ryu, S Sahoo, H Saito, T Sakai, K Sakai, Y Sandilya, S Santel, D Santelj, L Sanuki, T Sato, Y Schneider, O Schnell, G Schwanda, C Semmler, D Senyo, K Seon, O Sevior, ME Shapkin, M Shebalin, V Shen, CP Shibata, TA Shiu, JG Sibidanov, A Sohn, YS Solovieva, E Stanic, S Staric, M Steder, M Sumihama, M Sumiyoshi, T Tamponi, U Tanida, K Teramoto, Y Trabelsi, K Uchida, M Uehara, S Uglov, T Uno, S Van Hulse, C Vanhoefer, P Varner, G Varvell, KE Vinokurova, A Wagner, MN Wang, CH Wang, P Watanabe, M Watanabe, Y Williams, KM Yamashita, Y Yashchenko, S Yook, Y Yuan, CZ Zhilich, V Zhulanov, V Zupanc, A AF Lee, S. -H. Ko, B. R. Won, E. Abdesselam, A. Adachi, I. Aihara, H. Asner, D. M. Aushev, T. Ayad, R. Bakich, A. M. Bala, A. Bansal, V. Bhardwaj, V. Bhuyan, B. Bonvicini, G. Bozek, A. Browder, T. E. Cervenkov, D. Chen, A. Cheon, B. G. Chistov, R. Cho, K. Chobanova, V. Choi, S. -K. Choi, Y. Cinabro, D. Dalseno, J. Danilov, M. Dolezal, Z. Drasal, Z. Drutskoy, A. Eidelman, S. Epifanov, D. Farhat, H. Fast, J. E. Ferber, T. Frey, A. Gaur, V. Gabyshev, N. Ganguly, S. Garmash, A. Gillard, R. Goh, Y. M. Golob, B. Hayashii, H. He, X. H. Hoshi, Y. Hyun, H. J. Iijima, T. Ishikawa, A. Itoh, R. Iwasaki, Y. Iwashita, T. Jaegle, I. Julius, T. Kang, J. H. Kato, Y. Kawasaki, T. Kiesling, C. Kim, B. H. Kim, D. Y. Kim, J. B. Kim, J. H. Kim, M. J. Kinoshita, K. Klucar, J. Kodys, P. Korpar, S. Krizan, P. Krokovny, P. Kuhr, T. Kumita, T. Kwon, Y. -J. Lange, J. S. Li, Y. Gioi, L. Li Libby, J. Liventsev, D. Matvienko, D. Miyabayashi, K. Miyata, H. Moll, A. Mori, T. Mussa, R. Nagasaka, Y. Nakano, E. Nakao, M. Nayak, M. Nedelkovska, E. Nisar, N. K. Nishida, S. Nitoh, O. Ogawa, S. Okuno, S. Pakhlov, P. Pakhlova, G. Park, H. K. Pedlar, T. K. Peng, T. Pestotnik, R. Petric, M. Piilonen, L. E. Poluektov, A. Ribezl, E. Ritter, M. Roehrken, M. Rostomyan, A. Ryu, S. Sahoo, H. Saito, T. Sakai, K. Sakai, Y. Sandilya, S. Santel, D. Santelj, L. Sanuki, T. Sato, Y. Schneider, O. Schnell, G. Schwanda, C. Semmler, D. Senyo, K. Seon, O. Sevior, M. E. Shapkin, M. Shebalin, V. Shen, C. P. Shibata, T. -A. Shiu, J. -G. Sibidanov, A. Sohn, Y. -S. Solovieva, E. Stanic, S. Staric, M. Steder, M. Sumihama, M. Sumiyoshi, T. Tamponi, U. Tanida, K. Teramoto, Y. Trabelsi, K. Uchida, M. Uehara, S. Uglov, T. Uno, S. Van Hulse, C. Vanhoefer, P. Varner, G. Varvell, K. E. Vinokurova, A. Wagner, M. N. Wang, C. H. Wang, P. Watanabe, M. Watanabe, Y. Williams, K. M. Yamashita, Y. Yashchenko, S. Yook, Y. Yuan, C. Z. Zhilich, V. Zhulanov, V. Zupanc, A. CA Belle Collaboration TI Measurements of the masses and widths of the (2455) and (2520) baryons SO PHYSICAL REVIEW D LA English DT Article ID HEAVY BARYONS; SIGMA(0)(C); SPLITTINGS; MESONS; QUARKS AB We present measurements of the masses and decay widths of the baryonic states (2455) and (2520) using a data sample corresponding to an integrated luminosity of 711 fb- 1 collected with the detector at the KEKB e e- asymmetric- energy collider operating at the.(4S) resonance. We report the mass differences with respect to the A(c) baryon C1 [Schnell, G.; Van Hulse, C.] Univ Basque Country UPV EHU, Bilbao 48080, Spain. [Shen, C. P.] Beihang Univ, Beijing 100191, Peoples R China. [Eidelman, S.; Gabyshev, N.; Garmash, A.; Krokovny, P.; Matvienko, D.; Poluektov, A.; Shebalin, V.; Vinokurova, A.; Zhilich, V.; Zhulanov, V.] Budker Inst Nucl Phys SB RAS, Novosibirsk 630090, Russia. [Eidelman, S.; Gabyshev, N.; Garmash, A.; Krokovny, P.; Matvienko, D.; Poluektov, A.; Shebalin, V.; Vinokurova, A.; Zhilich, V.; Zhulanov, V.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Cervenkov, D.; Dolezal, Z.; Drasal, Z.; Kodys, P.] Charles Univ Prague, Fac Math & Phys, Prague 12116, Czech Republic. [Kinoshita, K.; Santel, D.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Ferber, T.; Rostomyan, A.; Steder, M.; Yashchenko, S.] DESY, D-22607 Hamburg, Germany. [Lange, J. S.; Semmler, D.; Wagner, M. N.] Univ Giessen, D-35392 Giessen, Germany. [Sumihama, M.] Gifu Univ, Gifu 5011193, Japan. [Frey, A.] Univ Gottingen, Phys Inst 2, D-37073 Gottingen, Germany. [Choi, S. -K.] Gyeongsang Natl Univ, Chinju 660701, South Korea. [Cheon, B. G.; Goh, Y. M.] Hanyang Univ, Seoul 133791, South Korea. [Browder, T. E.; Jaegle, I.; Sahoo, H.; Varner, G.] Univ Hawaii, Honolulu, HI 96822 USA. [Adachi, I.; Itoh, R.; Iwasaki, Y.; Liventsev, D.; Nakao, M.; Nishida, S.; Sakai, K.; Sakai, Y.; Trabelsi, K.; Uehara, S.; Uno, S.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Nagasaka, Y.] Hiroshima Inst Technol, Hiroshima 7315193, Japan. [Schnell, G.] Basque Fdn Sci, IKERBASQUE, Bilbao 48011, Spain. [Bhuyan, B.] Indian Inst Technol Guwahati, Gauhati 781039, Assam, India. [Libby, J.; Nayak, M.] Indian Inst Technol Madras, Chennai 600036, Tamil Nadu, India. [Wang, P.; Yuan, C. Z.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Schwanda, C.] Inst High Energy Phys, A-1050 Vienna, Austria. [Shapkin, M.] Inst High Energy Phys, Protvino 142281, Russia. [Mussa, R.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Aushev, T.; Chistov, R.; Danilov, M.; Drutskoy, A.; Pakhlov, P.; Pakhlova, G.; Solovieva, E.; Uglov, T.] Inst Theoret & Expt Phys, Moscow 117218, Russia. [Golob, B.; Klucar, J.; Korpar, S.; Krizan, P.; Pestotnik, R.; Petric, M.; Ribezl, E.; Santelj, L.; Staric, M.; Zupanc, A.] J Stefan Inst, Ljubljana 1000, Slovenia. [Okuno, S.; Watanabe, Y.] Kanagawa Univ, Yokohama, Kanagawa 2218686, Japan. [Kuhr, T.; Roehrken, M.] Karlsruhe Inst Technol, Inst Expt Kernphys, D-76131 Karlsruhe, Germany. [Iwashita, T.] Univ Tokyo, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba 2778583, Japan. [Cho, K.; Kim, J. H.] Korea Inst Sci & Technol Informat, Taejon 305806, South Korea. [Lee, S. -H.; Ko, B. R.; Won, E.; Kim, J. B.] Korea Univ, Seoul 136713, South Korea. [Hyun, H. J.; Kim, M. J.; Park, H. K.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Schneider, O.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Golob, B.; Krizan, P.] Univ Ljubljana, Fac Math & Phys, Ljubljana 1000, Slovenia. [Pedlar, T. K.] Luther Coll, Decorah, IA 52101 USA. [Korpar, S.] Univ Maribor, Maribor 2000, Slovenia. [Chobanova, V.; Dalseno, J.; Kiesling, C.; Gioi, L. Li; Moll, A.; Nedelkovska, E.; Ritter, M.; Vanhoefer, P.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Julius, T.; Sevior, M. E.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Danilov, M.; Drutskoy, A.; Pakhlov, P.] Moscow Phys Engn Inst, Moscow 115409, Russia. [Uglov, T.] Moscow Inst Phys & Technol, Moscow 141700, Russia. [Iijima, T.; Kato, Y.; Mori, T.; Seon, O.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648602, Japan. [Iijima, T.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648602, Japan. [Bhardwaj, V.; Hayashii, H.; Miyabayashi, K.] Nara Womens Univ, Nara 6308506, Japan. [Chen, A.] Natl Cent Univ, Chungli 32054, Taiwan. [Wang, C. H.] Natl United Univ, Miaoli 36003, Taiwan. [Shiu, J. -G.] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan. [Bozek, A.] H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. [Yamashita, Y.] Nippon Dent Univ, Niigata 9518580, Japan. [Kawasaki, T.; Miyata, H.; Watanabe, M.] Niigata Univ, Niigata 9502181, Japan. [Stanic, S.] Univ Nova Gorica, Nova Gorica 5000, Slovenia. [Nakano, E.; Teramoto, Y.] Osaka City Univ, Osaka 5588585, Japan. [Asner, D. M.; Bansal, V.; Fast, J. E.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Bala, A.] Panjab Univ, Chandigarh 160014, India. [He, X. H.] Peking Univ, Beijing 100871, Peoples R China. [Peng, T.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Kim, B. H.; Ryu, S.; Tanida, K.] Seoul Natl Univ, Seoul 151742, South Korea. [Kim, D. Y.] Soongsil Univ, Seoul 156743, South Korea. [Choi, Y.] Sungkyunkwan Univ, Suwon 440746, South Korea. [Bakich, A. M.; Sibidanov, A.; Varvell, K. E.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Abdesselam, A.; Ayad, R.] Univ Tabuk, Dept Phys, Fac Sci, Tabuk 71451, Saudi Arabia. [Gaur, V.; Nisar, N. K.; Sandilya, S.] Tata Inst Fundamental Res, Mumbai 400005, Maharashtra, India. [Dalseno, J.; Moll, A.] Tech Univ Munich, Excellence Cluster Universe, D-85748 Garching, Germany. [Ogawa, S.] Toho Univ, Funabashi, Chiba 2748510, Japan. [Hoshi, Y.] Tohoku Gakuin Univ, Tagajo, Miyagi 9858537, Japan. [Ishikawa, A.; Saito, T.; Sanuki, T.; Sato, Y.] Tohoku Univ, Sendai, Miyagi 9808578, Japan. [Aihara, H.; Epifanov, D.] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. [Shibata, T. -A.; Uchida, M.] Tokyo Inst Technol, Tokyo 1528550, Japan. [Kumita, T.; Sumiyoshi, T.] Tokyo Metropolitan Univ, Tokyo 1920397, Japan. [Nitoh, O.] Tokyo Univ Agr & Technol, Tokyo 1848588, Japan. [Tamponi, U.] Univ Turin, I-10124 Turin, Italy. [Li, Y.; Piilonen, L. E.; Williams, K. M.] Virginia Polytech Inst & State Univ, CNP, Blacksburg, VA 24061 USA. [Bonvicini, G.; Cinabro, D.; Farhat, H.; Ganguly, S.; Gillard, R.] Wayne State Univ, Detroit, MI 48202 USA. [Senyo, K.] Yamagata Univ, Yamagata 9908560, Japan. [Kang, J. H.; Kwon, Y. -J.; Sohn, Y. -S.; Yook, Y.] Yonsei Univ, Seoul 120749, South Korea. RP Lee, SH (reprint author), Korea Univ, Seoul 136713, South Korea. RI Aihara, Hiroaki/F-3854-2010; Uglov, Timofey/B-2406-2014; Cervenkov, Daniel/D-2884-2017; Solovieva, Elena/B-2449-2014; Pakhlov, Pavel/K-2158-2013; Danilov, Mikhail/C-5380-2014; Krokovny, Pavel/G-4421-2016; EPFL, Physics/O-6514-2016; Chistov, Ruslan/B-4893-2014; Drutskoy, Alexey/C-8833-2016; Pakhlova, Galina/C-5378-2014 OI Aihara, Hiroaki/0000-0002-1907-5964; Uglov, Timofey/0000-0002-4944-1830; Cervenkov, Daniel/0000-0002-1865-741X; Solovieva, Elena/0000-0002-5735-4059; Pakhlov, Pavel/0000-0001-7426-4824; Danilov, Mikhail/0000-0001-9227-5164; Krokovny, Pavel/0000-0002-1236-4667; Chistov, Ruslan/0000-0003-1439-8390; Drutskoy, Alexey/0000-0003-4524-0422; Pakhlova, Galina/0000-0001-7518-3022 FU Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan; Japan Society for the Promotion of Science (JSPS); Tau-Lepton Physics Research Center of Nagoya University; Australian Research Council; Australian Department of Industry, Innovation, Science and Research; Austrian Science Fund [P 22742-N16]; National Natural Science Foundation of China [10575109, 10775142, 10825524, 10875115, 10935008, 11175187]; Ministry of Education, Youth and Sports of the Czech Republic [LG14034]; Carl Zeiss Foundation; Deutsche Forschungsgemeinschaft; VolkswagenStiftung; Department of Science and Technology of India; Istituto Nazionale di Fisica Nucleare of Italy; WCU program of the Ministry Education Science and Technology, National Research Foundation of Korea [2011-0029457, 2012-0008143, 2012R1A1A2008330, 2013R1A1A3007772]; BRL program under NRF [KRF-2011-0020333, KRF-2011-0021196]; Center for Korean J-PARC Users [NRF-2013K1A3A7A06056592]; BK21 Plus program; GSDC of the Korea Institute of Science and Technology Information; Polish Ministry of Science and Higher Education; National Science Center; Ministry of Education and Science of the Russian Federation; Russian Federal Agency for Atomic Energy; Slovenian Research Agency; Basque Foundation for Science (IKERBASQUE); UPV/EHU [UFI 11/55]; Swiss National Science Foundation; National Science Council; Ministry of Education of Taiwan; U.S. Department of Energy; National Science Foundation; MEXT for Science Research in a Priority Area; JSPS; NRF [2010-0021174, 2010-0021279] FX We thank the KEKB group for the excellent operation of the accelerator, the KEK cryogenics group for the efficient operation of the solenoid, and the KEK computer group, the National Institute of Informatics, and the PNNL/EMSL computing group for valuable computing and SINET4 network support. We acknowledge support from the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan, the Japan Society for the Promotion of Science (JSPS), and the Tau-Lepton Physics Research Center of Nagoya University; the Australian Research Council and the Australian Department of Industry, Innovation, Science and Research; Austrian Science Fund under Grant No. P 22742-N16; the National Natural Science Foundation of China under Contracts No. 10575109, No. 10775142, No. 10825524, No. 10875115, No. 10935008, and No. 11175187; the Ministry of Education, Youth and Sports of the Czech Republic under Contract No. LG14034; the Carl Zeiss Foundation, the Deutsche Forschungsgemeinschaft and the VolkswagenStiftung; the Department of Science and Technology of India; the Istituto Nazionale di Fisica Nucleare of Italy; the WCU program of the Ministry Education Science and Technology, National Research Foundation of Korea Grants No. 2011-0029457, No. 2012-0008143, No. 2012R1A1A2008330, and No. 2013R1A1A3007772; the BRL program under NRF Grants No. KRF-2011-0020333, No. KRF-2011-0021196, Center for Korean J-PARC Users, No. NRF-2013K1A3A7A06056592; the BK21 Plus program and the GSDC of the Korea Institute of Science and Technology Information; the Polish Ministry of Science and Higher Education and the National Science Center; the Ministry of Education and Science of the Russian Federation and the Russian Federal Agency for Atomic Energy; the Slovenian Research Agency; the Basque Foundation for Science (IKERBASQUE) and the UPV/EHU under program UFI 11/55; the Swiss National Science Foundation; the National Science Council and the Ministry of Education of Taiwan; and the U.S. Department of Energy and the National Science Foundation. This work is supported by a Grant-in-Aid from MEXT for Science Research in a Priority Area ("New Development of Flavor Physics") and from JSPS for Creative Scientific Research ("Evolution of Tau-lepton Physics"). E. Won acknowledges support by NRF Grant No. 2010-0021174, and B. R. Ko by NRF Grant No. 2010-0021279. NR 31 TC 10 Z9 10 U1 0 U2 23 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 22 PY 2014 VL 89 IS 9 DI 10.1103/PhysRevD.89.091102 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA AO7ZJ UT WOS:000341571400001 ER PT J AU Khan, SN Alam, A Johnson, DD AF Khan, S. N. Alam, Aftab Johnson, Duane D. TI Fermi surfaces and phase stability of Ba(Fe1-x M-x)(2)As-2 (M = Co,Ni,Cu,Zn) SO PHYSICAL REVIEW B LA English DT Article ID ELECTRONIC-STRUCTURE; RANDOM ALLOYS; SUPERCONDUCTIVITY; CR; INCOMMENSURATE; PHOTOEMISSION; COMMENSURATE; MAGNETISM; SYSTEM; WAVES AB BaFe2As2 with transition-metal doping exhibits a variety of rich phenomena from the coupling of structure, magnetism, and superconductivity. Using density functional theory, we systematically compare the Fermi surfaces (FSs), formation energies (Delta E-f), and densities of states (DOSs) of electron-doped Ba(Fe1-xMx)(2)As-2 with M = {Co, Ni, Cu, Zn} in tetragonal (I4/mmm) and orthorhombic (Fmmm) structures in nonmagnetic, antiferromagnetic, and paramagnetic (disordered local moment) states. We explain changes to the phase stability (Delta E-f) and Fermi surfaces (and nesting) due to chemical and magnetic disorder. We compare our results to observed/assessed properties and contrast alloy theory with the results expected from the rigid-band model. With alloying, the DOS changes from common band (Co, Ni) to split band (Cu, Zn), which dictates Delta E-f and can overwhelm FS-nesting instabilities, as for the Cu and Zn cases. C1 [Khan, S. N.; Johnson, Duane D.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Khan, S. N.; Johnson, Duane D.] US DOE, Ames Lab, Ames, IA 50011 USA. [Alam, Aftab] Indian Inst Technol, Dept Phys, Bombay 400076, Maharashtra, India. [Johnson, Duane D.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Khan, SN (reprint author), Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. EM snkhan@illinois.edu; aftab@phy.iitb.ac.in; ddj@ameslab.gov OI Johnson, Duane/0000-0003-0794-7283 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division at Ames; Center for Defect Physics, an Energy Frontier Research Center at ORNL; U.S. DOE by Iowa State University [DE-AC02-07CH11358] FX Work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division at Ames (D.D.J.) and through the Center for Defect Physics (S.N.K.), an Energy Frontier Research Center at ORNL. The Ames Laboratory is operated for the U.S. DOE by Iowa State University under contract DE-AC02-07CH11358. NR 61 TC 7 Z9 7 U1 3 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 22 PY 2014 VL 89 IS 20 AR 205121 DI 10.1103/PhysRevB.89.205121 PG 7 WC Physics, Condensed Matter SC Physics GA AN5JZ UT WOS:000340628100003 ER PT J AU Dover, N Barash, JR Burke, JN Hill, KK Detter, JC Arnon, SS AF Dover, Nir Barash, Jason R. Burke, Julianne N. Hill, Karen K. Detter, John C. Arnon, Stephen S. TI Arrangement of the Clostridium baratii F7 Toxin Gene Cluster with Identification of a sigma Factor That Recognizes the Botulinum Toxin Gene Cluster Promoters SO PLOS ONE LA English DT Article ID INFANT BOTULISM; RNA-POLYMERASE; NEUROTOXIN COMPLEX; PROTEIN GENES; MOLECULAR CHARACTERIZATION; BACTERIOCIN GENE; EXPRESSION; ORGANIZATION; STRAIN; NCTC-2916 AB Botulinum neurotoxin (BoNT) is the most poisonous substances known and its eight toxin types (A to H) are distinguished by the inability of polyclonal antibodies that neutralize one toxin type to neutralize any of the other seven toxin types. Infant botulism, an intestinal toxemia orphan disease, is the most common form of human botulism in the United States. It results from swallowed spores of Clostridium botulinum (or rarely, neurotoxigenic Clostridium butyricum or Clostridium baratii) that germinate and temporarily colonize the lumen of the large intestine, where, as vegetative cells, they produce botulinum toxin. Botulinum neurotoxin is encoded by the bont gene that is part of a toxin gene cluster that includes several accessory genes. We sequenced for the first time the complete botulinum neurotoxin gene cluster of nonproteolytic C. baratii type F7. Like the type E and the nonproteolytic type F6 botulinum toxin gene clusters, the C. baratii type F7 had an orfX toxin gene cluster that lacked the regulatory botR gene which is found in proteolytic C. botulinum strains and codes for an alternative sigma factor. In the absence of botR, we identified a putative alternative regulatory gene located upstream of the C. baratii type F7 toxin gene cluster. This putative regulatory gene codes for a predicted sigma factor that contains DNA-binding-domain homologues to the DNA-binding domains both of BotR and of other members of the TcdR-related group 5 of the sigma(70) family that are involved in the regulation of toxin gene expression in clostridia. We showed that this TcdR-related protein in association with RNA polymerase core enzyme specifically binds to the C. baratii type F7 botulinum toxin gene cluster promoters. This TcdR-related protein may therefore be involved in regulating the expression of the genes of the botulinum toxin gene cluster in neurotoxigenic C. baratii. C1 [Dover, Nir; Barash, Jason R.; Burke, Julianne N.; Arnon, Stephen S.] Calif Dept Publ Hlth, Infant Botulism Treatment & Prevent Program, Richmond, CA 94804 USA. [Hill, Karen K.; Detter, John C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. RP Arnon, SS (reprint author), Calif Dept Publ Hlth, Infant Botulism Treatment & Prevent Program, Richmond, CA 94804 USA. EM Stephen.Arnon@cdph.ca.gov FU California Department of Public Health FX These studies were supported by the California Department of Public Health. Submission of the manuscript for publication was approved by the California Department of Public Health and by Los Alamos National Laboratory. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 40 TC 3 Z9 3 U1 0 U2 5 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 22 PY 2014 VL 9 IS 5 AR e97983 DI 10.1371/journal.pone.0097983 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AK3KS UT WOS:000338323200037 PM 24853378 ER PT J AU Messer, LC Jagai, JS Rappazzo, KM Lobdell, DT AF Messer, Lynne C. Jagai, Jyotsna S. Rappazzo, Kristen M. Lobdell, Danelle T. TI Construction of an environmental quality index for public health research SO ENVIRONMENTAL HEALTH LA English DT Article DE Environmental quality; Air quality; Water quality; Land quality; Built environment; Sociodemographic; Rural-urban status ID AIR-POLLUTION; NEIGHBORHOOD DEPRIVATION; RURAL RESIDENCE; EXPOSURE; URBAN; BIRTH; TEXAS; VULNERABILITY; CALIFORNIA; MORTALITY AB Background: A more comprehensive estimate of environmental quality would improve our understanding of the relationship between environmental conditions and human health. An environmental quality index (EQI) for all counties in the U.S. was developed. Methods: The EQI was developed in four parts: domain identification; data source acquisition; variable construction; and data reduction. Five environmental domains (air, water, land, built and sociodemographic) were recognized. Within each domain, data sources were identified; each was temporally (years 2000-2005) and geographically (county) restricted. Variables were constructed for each domain and assessed for missingness, collinearity, and normality. Domain-specific data reduction was accomplished using principal components analysis (PCA), resulting in domain-specific indices. Domain-specific indices were then combined into an overall EQI using PCA. In each PCA procedure, the first principal component was retained. Both domain-specific indices and overall EQI were stratified by four rural-urban continuum codes (RUCC). Higher values for each index were set to correspond to areas with poorer environmental quality. Results: Concentrations of included variables differed across rural-urban strata, as did within-domain variable loadings, and domain index loadings for the EQI. In general, higher values of the air and sociodemographic indices were found in the more metropolitan areas and the most thinly populated areas have the lowest values of each of the domain indices. The less-urbanized counties (RUCC 3) demonstrated the greatest heterogeneity and range of EQI scores (-4.76, 3.57) while the thinly populated strata (RUCC 4) contained counties with the most positive scores (EQI score ranges from -5.86, 2.52). Conclusion: The EQI holds promise for improving our characterization of the overall environment for public health. The EQI describes the non-residential ambient county-level conditions to which residents are exposed and domain-specific EQI loadings indicate which of the environmental domains account for the largest portion of the variability in the EQI environment. The EQI was constructed for all counties in the United States, incorporating a variety of data to provide a broad picture of environmental conditions. We undertook a reproducible approach that primarily utilized publically-available data sources. C1 [Messer, Lynne C.] Portland State Univ, Coll Urban & Publ Affairs, Sch Community Hlth, Portland, OR 97207 USA. [Jagai, Jyotsna S.; Lobdell, Danelle T.] US EPA, Natl Hlth & Environm Effects Res Lab, Chapel Hill, NC 27599 USA. [Jagai, Jyotsna S.] Univ Illinois, Sch Publ Hlth, Div Environm & Occupat Hlth Sci, Chicago, IL USA. [Rappazzo, Kristen M.] Univ N Carolina, Gillings Sch Global Publ Hlth, Chapel Hill, NC USA. [Rappazzo, Kristen M.] US EPA, Oak Ridge Inst Sci & Educ, Natl Ctr Environm Assessment, Oak Ridge, TN USA. RP Lobdell, DT (reprint author), US EPA, Natl Hlth & Environm Effects Res Lab, Chapel Hill, NC 27599 USA. EM lobdell.danelle@epa.gov FU Innovate!, Inc.; EPA; University of North Carolina at Chapel Hill [CR83323601]; Office of Research and Development (ORD); U.S. Environmental Protection Agency (EPA); [WCF DP26H0001]; [EP09D000003] FX The Office of Research and Development (ORD), U.S. Environmental Protection Agency (EPA), partially funded the research with Innovate!, Inc. and L. C. Messer (Contracts WCF DP26H0001 and EP09D000003) and under EPA Cooperative Agreement with the University of North Carolina at Chapel Hill (CR83323601) and an appointment to the Research Participation Program for the U. S. Environmental Protection Agency, Office of Research and Development, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and EPA. NR 31 TC 5 Z9 5 U1 3 U2 17 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1476-069X J9 ENVIRON HEALTH-GLOB JI Environ. Health PD MAY 22 PY 2014 VL 13 AR 39 DI 10.1186/1476-069X-13-39 PG 22 WC Environmental Sciences; Public, Environmental & Occupational Health SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health GA AJ0CS UT WOS:000337317400001 PM 24886426 ER EF