FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Feng, Z Hagos, S Rowe, AK Burleyson, CD Martini, MN de Szoeke, SP AF Feng, Zhe Hagos, Samson Rowe, Angela K. Burleyson, Casey D. Martini, Matus N. de Szoeke, Simon P. TI Mechanisms of convective cloud organization by cold pools over tropical warm ocean during the AMIE/DYNAMO field campaign SO JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS LA English DT Article ID HIGH-RESOLUTION SIMULATION; PART I; DEEP CONVECTION; SUBCLOUD LAYER; SURFACE FLUXES; SQUALL-LINE; PARAMETERIZATION; MESOSCALE; MODEL; ENTRAINMENT AB This paper investigates the mechanisms of convective cloud organization by precipitation-driven cold pools over the warm tropical Indian Ocean during the 2011 Atmospheric Radiation Measurement (ARM) Madden-Julian Oscillation (MJO) Investigation Experiment/Dynamics of the MJO (AMIE/DYNAMO) field campaign. A high-resolution regional model simulation is performed using the Weather Research and Forecasting model during the transition from suppressed to active phases of the November 2011 MJO. The simulated cold pool lifetimes, spatial extent, and thermodynamic properties agree well with the radar and ship-borne observations from the field campaign. The thermodynamic and dynamic structures of the outflow boundaries of isolated and intersecting cold pools in the simulation and the associated secondary cloud populations are examined. Intersecting cold pools last more than twice as long, are twice as large, 41% more intense (measured with buoyancy), and 62% deeper than isolated cold pools. Consequently, intersecting cold pools trigger 73% more convection than do isolated ones. This is due to stronger outflows that enhance secondary updraft velocities by up to 45%. However, cold pool-triggered convective clouds grow into deep convection not because of the stronger secondary updrafts at cloud base, but rather due to closer spacing (aggregation) between clouds and larger cloud clusters that form along the cold pool boundaries when they intersect. The close spacing of large clouds moistens the local environment and reduces entrainment drying, increasing the probability that the clouds further develop into deep convection. Implications for the design of future convective parameterization with cold pool-modulated entrainment rates are discussed. C1 [Feng, Zhe; Hagos, Samson; Burleyson, Casey D.; Martini, Matus N.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Rowe, Angela K.] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. [de Szoeke, Simon P.] Oregon State Univ, Coll Earth Ocean & Atmospher Sci, Corvallis, OR 97331 USA. RP Feng, Z (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM zhe.feng@pnnl.gov RI Burleyson, Casey/F-1833-2016; Feng, Zhe/E-1877-2015; OI Burleyson, Casey/0000-0001-6218-9361; Feng, Zhe/0000-0002-7540-9017; Martini, Matus/0000-0003-0459-4988 FU Biological and Environmental Research of the U.S. Department of Energy (DOE) Office of Science, Atmospheric System Research Program; Regional and Global Climate Modeling Program; NSF grant [AGS-1355567]; DOE ASR grant [DE-SC0008452]; Battelle Memorial Institute [DE-AC05-76RL01830] FX The DYNAMO field campaign data used in this paper is available at NCAR's Earth Observing Laboratory's DYNAMO Data Catalogue https://www.eol.ucar.edu/field_projects/dynamo. The data set names are: R/V Roger Revelle Flux, Near-Surface Meteorology, and Navigation Data and S-PolKa Radar, fully corrected, merged, final moments data in cfRadial format. This research is based on work supported by the Biological and Environmental Research of the U.S. Department of Energy (DOE) Office of Science as part of the Atmospheric System Research Program and the Regional and Global Climate Modeling Program. The author at the University of Washington is supported by NSF grant AGS-1355567 and DOE ASR grant DE-SC0008452. Computing resources for the simulations are provided by the Oak Ridge Leadership Computing Facility (OLCF) and the National Energy Research Scientific Computing Center (NERSC). The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. NR 56 TC 19 Z9 19 U1 3 U2 9 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1942-2466 J9 J ADV MODEL EARTH SY JI J. Adv. Model. Earth Syst. PD JUN PY 2015 VL 7 IS 2 BP 357 EP 381 DI 10.1002/2014MS000384 PG 25 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CQ7ZH UT WOS:000360825000001 ER PT J AU Qian, Y Yan, HP Hou, ZS Johannesson, G Klein, S Lucas, D Neale, R Rasch, P Swiler, L Tannahill, J Wang, HL Wang, MH Zhao, C AF Qian, Yun Yan, Huiping Hou, Zhangshuan Johannesson, Gardar Klein, Stephen Lucas, Donald Neale, Richard Rasch, Philip Swiler, Laura Tannahill, John Wang, Hailong Wang, Minghuai Zhao, Chun TI Parametric sensitivity analysis of precipitation at global and local scales in the Community Atmosphere Model CAM5 SO JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS LA English DT Article ID MINIMUM RELATIVE ENTROPY; MARINE BOUNDARY-LAYER; SOUTHERN GREAT-PLAINS; DIURNAL CYCLE; CLIMATE MODEL; UNCERTAINTY QUANTIFICATION; CLOUD-MICROPHYSICS; INPUT VARIABLES; VERSION-3 CAM3; UNITED-STATES AB We investigate the sensitivity of precipitation characteristics (mean, extreme, and diurnal cycle) to a set of uncertain parameters that influence the qualitative and quantitative behavior of cloud and aerosol processes in the Community Atmosphere Model (CAM5). We adopt both the Latin hypercube and Quasi-Monte Carlo sampling approaches to effectively explore the high-dimensional parameter space and then conduct two large sets of simulations. One set consists of 1100 simulations (cloud ensemble) perturbing 22 parameters related to cloud physics and convection, and the other set consists of 256 simulations (aerosol ensemble) focusing on 16 parameters related to aerosols and cloud microphysics. In the cloud ensemble, six parameters having the greatest influences on the global mean precipitation are identified, three of which (related to the deep convection scheme) are the primary contributors to the total variance of the phase and amplitude of the precipitation diurnal cycle over land. The extreme precipitation characteristics are sensitive to a fewer number of parameters. Precipitation does not always respond monotonically to parameter change. The influence of individual parameters does not depend on the sampling approaches or concomitant parameters selected. Generally, the Generalized Linear Model is able to explain more of the parametric sensitivity of global precipitation than local or regional features. The total explained variance for precipitation is primarily due to contributions from the individual parameters (75-90% in total). The total variance shows a significant seasonal variability in midlatitude continental regions, but very small in tropical continental regions. C1 [Qian, Yun; Yan, Huiping; Hou, Zhangshuan; Rasch, Philip; Wang, Hailong; Zhao, Chun] Pacific NW Natl Lab, Richland, WA 99352 USA. [Yan, Huiping] Lanzhou Univ, Coll Atmospher Sci, Lanzhou 730000, Peoples R China. [Johannesson, Gardar; Klein, Stephen; Lucas, Donald; Tannahill, John] Lawrence Livermore Natl Lab, Livermore, CA USA. [Neale, Richard] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Swiler, Laura] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Wang, Minghuai] Nanjing Univ, Inst Climate & Global Change Res, Nanjing 210008, Jiangsu, Peoples R China. [Wang, Minghuai] Nanjing Univ, Sch Atmospher Sci, Nanjing 210008, Jiangsu, Peoples R China. [Wang, Minghuai] Collaborat Innovat Ctr Climate Change, Nanjing, Jiangsu, Peoples R China. RP Qian, Y (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yun.qian@pnnl.gov RI qian, yun/E-1845-2011; Wang, Hailong/B-8061-2010; Wang, Minghuai/E-5390-2011; Zhao, Chun/A-2581-2012; Klein, Stephen/H-4337-2016; Hou, Zhangshuan/B-1546-2014 OI Wang, Hailong/0000-0002-1994-4402; Wang, Minghuai/0000-0002-9179-228X; Zhao, Chun/0000-0003-4693-7213; Klein, Stephen/0000-0002-5476-858X; Hou, Zhangshuan/0000-0002-9388-6060 FU U.S. Department of Energy's Office of Science, Earth System Modeling Program; Battelle Memorial Institute [DE-AC05-76RL01830]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We thank Charles Jackson for his careful review and constructive comments. This study was supported by the U.S. Department of Energy's Office of Science as part of the Earth System Modeling Program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. Work at LLNL was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. All C-Ensemble results are stored at LLNL supercomputer, and all A-Ensemble results are stored at a local PNNL cluster. To request copies of the data used in this study, please contact Yun Qian yun.qian@pnnl.gov. NR 76 TC 13 Z9 13 U1 2 U2 17 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1942-2466 J9 J ADV MODEL EARTH SY JI J. Adv. Model. Earth Syst. PD JUN PY 2015 VL 7 IS 2 BP 382 EP 411 DI 10.1002/2014MS000354 PG 30 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CQ7ZH UT WOS:000360825000002 ER PT J AU Wang, MH Larson, VE Ghan, S Ovchinnikov, M Schanen, DP Xiao, H Liu, XH Rasch, P Guo, Z AF Wang, Minghuai Larson, Vincent E. Ghan, Steven Ovchinnikov, Mikhail Schanen, David P. Xiao, Heng Liu, Xiaohong Rasch, Philip Guo, Zhun TI A multiscale modeling framework model (superparameterized CAM5) with a higher-order turbulence closure: Model description and low-cloud simulations SO JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS LA English DT Article ID COMMUNITY ATMOSPHERE MODEL; PROBABILITY DENSITY-FUNCTIONS; BOUNDARY-LAYER CLOUDS; GENERAL-CIRCULATION MODEL; GLOBAL CLIMATE MODEL; PART I; MICROPHYSICS PARAMETERIZATION; SATELLITE-OBSERVATIONS; NORTHERN PACIFIC; RESOLVING MODEL AB In this study, a higher-order turbulence closure scheme, called Cloud Layers Unified By Binormals (CLUBB), is implemented into a Multiscale Modeling Framework (MMF) model to improve low-cloud simulations. The performance of CLUBB in MMF simulations with two different microphysics configurations (one-moment cloud microphysics without aerosol treatment and two-moment cloud microphysics coupled with aerosol treatment) is evaluated against observations and further compared with results from the Community Atmosphere Model, Version 5 (CAM5) with conventional cloud parameterizations. CLUBB is found to improve low-cloud simulations in the MMF, and the improvement is particularly evident in the stratocumulus-to-cumulus transition regions. Compared to the single-moment cloud microphysics, CLUBB with two-moment microphysics produces clouds that are closer to the coast and agrees better with observations. In the stratocumulus-to-cumulus transition regions, CLUBB with two-moment cloud microphysics produces short-wave cloud forcing in better agreement with observations, while CLUBB with single-moment cloud microphysics overestimates short-wave cloud forcing. CLUBB is further found to produce quantitatively similar improvements in the MMF and CAM5, with slightly better performance in the MMF simulations (e.g., MMF with CLUBB generally produces low clouds that are closer to the coast than CAM5 with CLUBB). Improved low-cloud simulations in MMF make it an even more attractive tool for studying aerosol-cloud-precipitation interactions. C1 [Wang, Minghuai; Ghan, Steven; Ovchinnikov, Mikhail; Xiao, Heng; Rasch, Philip; Guo, Zhun] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Larson, Vincent E.; Schanen, David P.] Univ Wisconsin, Milwaukee, WI 53201 USA. [Liu, Xiaohong] Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA. [Guo, Zhun] Chinese Acad Sci, Inst Atmospher Phys, Beijing, Peoples R China. [Guo, Zhun] Chinese Acad Sci, Climate Change Res Ctr, Beijing, Peoples R China. RP Wang, MH (reprint author), Nanjing Univ, Inst Climate & Global Change Res, Nanjing 210008, Jiangsu, Peoples R China. EM Minghuai.Wang@nju.edu.cn RI Liu, Xiaohong/E-9304-2011; Wang, Minghuai/E-5390-2011; Ghan, Steven/H-4301-2011 OI Liu, Xiaohong/0000-0002-3994-5955; Wang, Minghuai/0000-0002-9179-228X; Ghan, Steven/0000-0001-8355-8699 FU U.S. Department of Energy, Office of Science, Biological and Environmental Research, Decadal and Regional Climate Prediction using Earth System Models (EaSM) Program; Reduction of Tropical Cloud and Precipitation Biases in Global High Resolution Models Program; Battelle Memorial Institute [DE-AC05-76RL01830]; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]; National Science Foundation [AGS-0968640]; Office of Science (BER) of the U.S. Department of Energy [DE-SC0008659] FX This research is based on work supported by the U.S. Department of Energy, Office of Science, Biological and Environmental Research, as part of the Decadal and Regional Climate Prediction using Earth System Models (EaSM) Program and the Reduction of Tropical Cloud and Precipitation Biases in Global High Resolution Models Program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC05-00OR22725. V. Larson and D. Schanen acknowledge financial support under grant AGS-0968640 from the National Science Foundation and grant DE-SC0008659 from Office of Science (BER) of the U.S. Department of Energy. All model output is stored on the NERSC Science Gateways and can be accessed through the following link: http://portal.nersc.gov/project/m1374/MMFoutput_Wangetal2014JAMES/. NR 58 TC 4 Z9 4 U1 5 U2 20 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1942-2466 J9 J ADV MODEL EARTH SY JI J. Adv. Model. Earth Syst. PD JUN PY 2015 VL 7 IS 2 BP 484 EP 509 DI 10.1002/2014MS000375 PG 26 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CQ7ZH UT WOS:000360825000007 ER PT J AU Xiao, H Gustafson, WI Hagos, SM Wu, CM Wan, H AF Xiao, Heng Gustafson, William I., Jr. Hagos, Samson M. Wu, Chien-Ming Wan, Hui TI Resolution-dependent behavior of subgrid-scale vertical transport in the Zhang-McFarlane convection parameterization SO JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS LA English DT Article ID CUMULUS CLOUD ENSEMBLE; DEEP MOIST CONVECTION; QUASI-EQUILIBRIUM; PART I; MICROPHYSICS PARAMETERIZATION; STOCHASTIC PARAMETERIZATION; STRATIFORM INSTABILITY; CLIMATE MODELS; ENVIRONMENT; PARAMETRIZATION AB To better understand the behavior of quasi-equilibrium-based convection parameterizations at higher resolution, we use a diagnostic framework to examine the resolution-dependence of subgrid-scale vertical transport of moist static energy as parameterized by the Zhang-McFarlane convection parameterization (ZM). Grid-scale input to ZM is supplied by coarsening output from cloud-resolving model (CRM) simulations onto subdomains ranging in size from 8 3 8 to 256 x 256 km(2). Then the ZM-based parameterization of vertical transport of moist static energy for scales smaller than the subdomain size ((W'h') over bar (ZM)) are compared to those directly calculated from the CRM simulations ((W'h') over bar (CRM)) for different subdomain sizes. The ensemble mean (W'h') over bar (CRM) decreases by more than half as the subdomain size decreases from 128 to 8 km across while (W'h') over bar (ZM) decreases with subdomain size only for strong convection cases and increases for weaker cases. The resolution dependence of (W'h') over bar (ZM) is determined by the positive-definite grid-scale tendency of convective available potential energy (CAPE) in the convective quasi-equilibrium (QE) closure. Further analysis shows the actual grid-scale tendency of CAPE (before taking the positive definite value) and (W'h') over bar (CRM) behave very similarly as the subdomain size changes because they are both tied to grid-scale advective tendencies. We can improve the resolution dependence of (W'h') over bar (ZM) significantly by averaging the grid-scale tendency of CAPE over an appropriately large area surrounding each subdomain before taking its positive definite value. Even though the ensemble mean (W'h') over bar (CRM) decreases with increasing resolution, its variability increases dramatically. (W'h') over bar (ZM) cannot capture such increase in the variability, suggesting the need for stochastic treatment of convection at relatively high spatial resolution (8 or 16 km). C1 [Xiao, Heng; Gustafson, William I., Jr.; Hagos, Samson M.; Wan, Hui] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Wu, Chien-Ming] Natl Taiwan Univ, Dept Atmospher Sci, Taipei 10764, Taiwan. RP Xiao, H (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM heng.xiao@pnnl.gov RI Gustafson, William/A-7732-2008; Wan, Hui/J-4701-2013; OI Gustafson, William/0000-0001-9927-1393; Wu, Chien-Ming/0000-0001-9295-7181 FU U.S. Department of Energy (DOE) Early Career grant; Office of Biological and Environmental Research of the U.S. Department of Energy; Taiwan's National Research Council [101-2111-M-002-004, 102-2111-M-002-003]; Linus Pauling Distinguished Postdoctoral Fellowship; PNNL Laboratory Directed Research and Development program; Battelle Memorial Institute [DE-AC05-76RL01830]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX Funding for H.X. and W.I.G. has been provided by a U.S. Department of Energy (DOE) Early Career grant awarded to W.I.G. S.M.H. acknowledges support from the Office of Biological and Environmental Research of the U.S. Department of Energy through its Atmospheric Systems Research Program and Regional and Global Climate Modeling Program. C.M.W. is supported by Taiwan's National Research Council through grants 101-2111-M-002-004 and 102-2111-M-002-003 to National Taiwan University. H.W. acknowledges support from the Linus Pauling Distinguished Postdoctoral Fellowship and the PNNL Laboratory Directed Research and Development program. Battelle Memorial Institute operates PNNL under contract DE-AC05-76RL01830. Computational resources were provided by the National Energy Research Scientific Computing (NERSC) Center, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-05CH11231. Simulations are archived at NERSC (hopper.nersc.gov) and will be made available upon email request to the corresponding author (Heng.Xiao@pnnl.gov). NR 43 TC 1 Z9 1 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1942-2466 J9 J ADV MODEL EARTH SY JI J. Adv. Model. Earth Syst. PD JUN PY 2015 VL 7 IS 2 BP 537 EP 550 DI 10.1002/2014MS000356 PG 14 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CQ7ZH UT WOS:000360825000009 ER PT J AU Pei, YJ Davis, MJ Pickett, LM Som, S AF Pei, Yuanjiang Davis, Michael J. Pickett, Lyle M. Som, Sibendu TI Engine Combustion Network (ECN): Global sensitivity analysis of Spray A for different combustion vessels SO COMBUSTION AND FLAME LA English DT Article DE Spray A; Representative interactive flamelet; Engine Combustion Network; Diesel; Global sensitivity analysis; n-Dodecane ID N-DODECANE; DIESEL; TEMPERATURE; MECHANISM; DENSITY; MODEL; JET AB Global sensitivity analysis was conducted on Spray A of the Engine Combustion Network's (ECN) experimental conditions across different combustion vessels from different institutions. The main objective was to understand the influence of differences in boundary conditions on specific targets of interest. A list of experimental initial, boundary, and injection conditions with uncertainty ranges were identified for three different ambient conditions for these combustion vessels. Five targets including the liquid length, vapor penetration length, ignition delay, lift-off length, and soot mass in the domain were extracted from hundreds of 3D computational fluid dynamics (CFD) simulations by simultaneously perturbing all the uncertain variables. Each target was analyzed using a global sensitivity analysis (GSA) method and the relative importance of different variables towards specific targets was identified. The uncertainty in the fuel temperature was found to have a profound influence on the liquid length, however, the influence on vapor penetration length, ignition delay, and lift-off length, was rather subtle. Small uncertainties in the initial turbulence level and nozzle diameter was observed to have a significant influence on the vapor penetration. Variables sensitive to ignition delay also showed similar sensitivity to flame lift-off length. The soot mass in the domain was observed to have a closer correlation with the liquid length at least for higher ambient temperature conditions. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Pei, Yuanjiang; Som, Sibendu] Argonne Natl Lab, Transportat Technol Res & Dev Ctr, Argonne, IL 60439 USA. [Davis, Michael J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Pickett, Lyle M.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. RP Pei, YJ (reprint author), Argonne Natl Lab, Transportat Technol Res & Dev Ctr, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ypei@anl.gov FU Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; U.S. DOE Office of Vehicle Technologies, Office of Energy Efficiency and Renewable Energy [DE-AC02-06CH11357]; U.S. DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [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. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government.; This research was funded by U.S. DOE Office of Vehicle Technologies, Office of Energy Efficiency and Renewable Energy under Contract No. DE-AC02-06CH11357. The authors wish to thank Gurpreet Singh and Leo Breton, program managers at DOE, for their support. This work was also supported by the U.S. DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under Contract No. DE-AC02-06CH11357. NR 51 TC 12 Z9 12 U1 5 U2 9 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 2015 VL 162 IS 6 BP 2337 EP 2347 DI 10.1016/j.combustflame.2015.01.024 PG 11 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CQ4RP UT WOS:000360592600003 ER PT J AU Choi, S Seong, H AF Choi, Seungmok Seong, Heeje TI Oxidation characteristics of gasoline direct-injection (GDI) engine soot: Catalytic effects of ash and modified kinetic correlation SO COMBUSTION AND FLAME LA English DT Article DE Gasoline direct-injection (GDI) engine; Soot oxidation reactivity; Ash; Thermogravimetric analysis (TGA); Reaction kinetics ID DIESEL PARTICULATE MATTER; THERMOGRAVIMETRIC ANALYSIS; DPF REGENERATION; CARBON-BLACK; METAL-OXIDES; COMBUSTION; IMPACT; REACTIVITY; FUEL; PARAMETERS AB In this paper, experimental analyses are conducted into the GDI soot oxidation characteristics as dependent on engine operating conditions. Soot is sampled at various engine operating conditions of a commercial 2.4 L GDI engine with a naturally aspirated, homogeneous, and stoichiometric operation strategy. The oxidation reactivity, ash composition, and carbon nanostructure of the GDI soot samples are analyzed using thermogravimetric analysis (TGA), scanning electron microscope-energy-dispersive spectroscopy (SEM-EDS), high-resolution transmission electron microscopy (HR-TEM), and Raman spectroscopy. Based on the analyses, a global GDI soot oxidation mechanism is proposed which includes the effects of soluble organic fractions (SOF)/weakly bonded carbon (WBC), and three types of ash on GDI soot oxidation. The results show that GDI soot contains an order of magnitude higher ash fraction than does conventional diesel soot, and oxidation reactivity is significantly enhanced by the catalytic effects of ash, as a function of ash content in soot. A modified empirical kinetic correlation for GDI soot oxidation is suggested on the basis of the results, and the modified kinetic correlation predicts the GDI soot oxidation rate accurately for various engine operation points at wide ranges of soot conversion and temperature without modifying kinetic parameters. The kinetic parameters are determined from isothermal and non-isothermal thermogravimetric analysis (TGA) soot oxidation tests; the methods are elucidated in detail. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Choi, Seungmok; Seong, Heeje] Argonne Natl Lab, Transportat Technol R&D Ctr, Argonne, IL 60439 USA. RP Choi, S (reprint author), Argonne Natl Lab, Transportat Technol R&D Ctr, 9700 S Cass Ave, Argonne, IL 60439 USA. EM schoi@anl.gov FU Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; Advanced Combustion Engines Program at the U.S. Department of Energy, Office of Vehicle Technologies; Hyundai motor company [C1200101] 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. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, perform publicly and display publicly, by or on behalf of the government. This work was supported by the Advanced Combustion Engines Program at the U.S. Department of Energy, Office of Vehicle Technologies, and Hyundai motor company under Contract No. C1200101. Furthermore, the use of the TEM and Raman microscope at the Center for Nanoscale Materials facility and the Electron Microscopy Center was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 52 TC 6 Z9 6 U1 3 U2 18 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 2015 VL 162 IS 6 BP 2371 EP 2389 DI 10.1016/j.combustflame.2015.02.004 PG 19 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CQ4RP UT WOS:000360592600006 ER PT J AU Kumar, K Zhang, Y Sung, CJ Pitz, WJ AF Kumar, Kamal Zhang, Yu Sung, Chih-Jen Pitz, William J. TI Autoignition response of n-butanol and its blends with primary reference fuel constituents of gasoline SO COMBUSTION AND FLAME LA English DT Article DE n-Butanol; iso-Octane; n-Heptane; Autoignition; Fuel blend combustion ID CHARGE COMPRESSION IGNITION; LOW-TEMPERATURE COMBUSTION; JET-STIRRED REACTOR; VARIATIONAL TRANSITION-STATE; INJECTION DIESEL-ENGINE; EMISSION CHARACTERISTICS; HYDROGEN ABSTRACTION; SPARK-IGNITION; ELEVATED PRESSURES; SHOCK-TUBE AB We study the influence of blending n-butanol on the ignition delay times of n-heptane and iso-octane, the primary reference fuels for gasoline. The ignition delay times are measured using a rapid compression machine, with an emphasis on the low-to-intermediate temperature conditions. The experiments are conducted at equivalence ratios of 0.4 and 1.0, for a compressed pressure of 20 bar, with the temperatures at the end of compression ranging from 613 K to 979 K. The effect of n-butanol addition on the development of the two-stage ignition characteristics for the two primary reference fuels is also examined. The experimental results are compared to predictions obtained using a detailed chemical kinetic mechanism, which has been obtained by a systematic merger of previously reported base models for the combustion of the individual fuel constituents. A sensitivity analysis on the base, and the merged models, is also performed to understand the dependence of autoignition delay times on the model parameters. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Kumar, Kamal; Zhang, Yu; Sung, Chih-Jen] Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA. [Pitz, William J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Kumar, K (reprint author), Univ Connecticut, Dept Mech Engn, 191 Auditorium Rd, Storrs, CT 06269 USA. EM kamal@engr.uconn.edu OI Kumar, Kamal/0000-0002-3923-8740 FU Combustion Energy Frontier Research Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001198]; National Science Foundation [CBET-1402231]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This material is based upon work supported as part of the Combustion Energy Frontier Research Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001198, and by the National Science Foundation under Grant No. CBET-1402231. The material from LLNL is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (Wade Sick, program manager) and performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 128 TC 4 Z9 4 U1 8 U2 27 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 2015 VL 162 IS 6 BP 2466 EP 2479 DI 10.1016/j.combustflame.2015.02.014 PG 14 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CQ4RP UT WOS:000360592600014 ER PT J AU Pelucchi, M Frassoldati, A Faravelli, T Ruscic, B Glarborg, P AF Pelucchi, Matteo Frassoldati, Alessio Faravelli, Tiziano Ruscic, Branko Glarborg, Peter TI High-temperature chemistry of HCl and Cl-2 SO COMBUSTION AND FLAME LA English DT Article DE Chlorine; Hydrogen chloride; Kinetics; Oxidation; Flame inhibition ID ACTIVE THERMOCHEMICAL TABLES; GAS-PHASE REACTIONS; CARBON MONOXIDE/HYDROGEN MIXTURES; DENSITY GRADIENT MEASUREMENTS; RAPID BIMOLECULAR REACTIONS; ABSOLUTE RATE-CONSTANT; MOIST CO OXIDATION; PLUS OCLO REACTION; SHOCK-WAVES; AB-INITIO AB The high temperature chlorine chemistry was updated and the inhibition mechanisms involving HCl and Cl-2 were re-examined. The thermochemistry was obtained using the Active Thermochemical Tables (ATcT) approach, resulting in improved data for chlorine-containing species of interest. The HCl/Cl-2 chemistry discussed in the paper was based on reference and experimental measurements of rate constants available in the literature. By coupling the new HCl/Cl-2 subset with the Politecnico di Milano (POLIMI) syngas mechanism a kinetic mechanism consisting of 25 species and 102 reactions was obtained. The validation was carried out on selected experimental data from laminar flames, shock tubes and plug flow reactors. Systems containing Cl-2 showed high sensitivity to Cl-2 + M (sic) Cl + Cl + M; the rate constant for this reaction has a significant uncertainty and there is a need for an accurate high-temperature determination. The importance of the chain propagating steps such as Cl + H-2 (sic) HCl + H and Cl-2 + H (sic) HCI + Cl competing with the branching reaction H + O-2 (sic) Oh + O and the termination reaction H + Cl + M (sic) HCI + M is also pointed out by the kinetic analysis. Other relevant reactions in Ha containing systems are the chain propagation reactions HCl + O (sic) Cl + OH, HCl + OH (sic) Cl + HO2 and Cl + HO2 (sic) ClO + OH, together with the termination reaction Cl + HO2 (sic) HCl + O-2. With the present thermochemistry and rate constants, reaction cycles involving HOCl and ClCO were found not to be important under the investigated conditions. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Pelucchi, Matteo; Frassoldati, Alessio; Faravelli, Tiziano] Politecn Milan, Dipartimento Chim Mat & Ingn Chim G Natta, I-20133 Milan, Italy. [Ruscic, Branko] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Ruscic, Branko] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Glarborg, Peter] Tech Univ Denmark, DTU Chem Engn, DK-2800 Lyngby, Denmark. RP Faravelli, T (reprint author), Politecn Milan, Dipartimento Chim Mat & Ingn Chim G Natta, Pzza Leonardo da Vinci 32, I-20133 Milan, Italy. RI Ruscic, Branko/A-8716-2008 OI Ruscic, Branko/0000-0002-4372-6990 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-AC02-06CH11357]; Danish Strategic Research Council FX BR was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357. PG would like to acknowledge funding from the Danish Strategic Research Council. NR 135 TC 2 Z9 2 U1 2 U2 14 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 2015 VL 162 IS 6 BP 2693 EP 2704 DI 10.1016/j.combustflame.2015.04.002 PG 12 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CQ4RP UT WOS:000360592600034 ER PT J AU Kokjohn, SL Musculus, MPB Reitz, RD AF Kokjohn, Sage L. Musculus, Mark P. B. Reitz, Rolf D. TI Evaluating temperature and fuel stratification for heat-release rate control in a reactivity-controlled compression-ignition engine using optical diagnostics and chemical kinetics modeling SO COMBUSTION AND FLAME LA English DT Article DE RCCI; Reactivity stratification; Optical diagnostics; Chemical kinetics modeling ID COMBUSTION AB The combustion process in a dual-fuel, reactivity-controlled compression-ignition (RCCI) engine is investigated using a combination of optical diagnostics and chemical kinetics modeling to explain the role of equivalence ratio, temperature, and fuel reactivity stratification for heat-release rate control. An optically accessible engine is operated in the RCCI combustion mode using gasoline primary reference fuels (PRF). A well-mixed charge of iso-octane (PRF = 100) is created by injecting fuel into the engine cylinder during the intake stroke using a gasoline-type direct injector. Later in the cycle, n-heptane (PRE = 0) is delivered through a centrally mounted diesel-type common-rail injector. This injection strategy generates stratification in equivalence ratio, fuel blend, and temperature. The first part of this study uses a high-speed camera to image the injection events and record high-temperature combustion chemiluminescence. The chemiluminescence imaging showed that, at the operating condition studied in the present work, mixtures in the squish region ignite first, and the reaction zone proceeds inward toward the-center of the combustion chamber. The second part of this study investigates the charge preparation of the RCCI strategy using planar laser-induced fluorescence (PLIF) of a fuel tracer under non-reacting conditions to quantify fuel concentration distributions prior to ignition. The fuel-tracer PLIF data show that the combustion event proceeds down gradients in the n-heptane distribution. The third part of the study uses chemical kinetics modeling over a range of mixtures spanning the distributions observed from the fuel-tracer fluorescence imaging to isolate the roles of temperature, equivalence ratio, and PRE number stratification. The simulations predict that PRE number stratification is the dominant factor controlling the ignition location and growth rate of the reaction zone. Equivalence ratio has a smaller, but still significant, influence. Temperature stratification had a negligible influence due to the NTC behavior of the PRE mixtures. (C) 2015 Published by Elsevier Inc. on behalf of The Combustion Institute. C1 [Kokjohn, Sage L.; Reitz, Rolf D.] Univ Wisconsin, Madison, WI 53706 USA. [Musculus, Mark P. B.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. RP Kokjohn, SL (reprint author), Univ Wisconsin, Engn Res Bldg,1500 Engn Dr, Madison, WI 53706 USA. EM kokjohn@wisc.edu FU US Department of Energy (DOE) [DE-EE0000202]; Engine Research Center's Direct-injection Engine Research Consortium (DERC); U.S. Department of Energy, Office of Vehicle Technologies; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The analysis and simulation work was supported by the US Department of Energy (DOE) contract # DE-EE0000202 and from the Engine Research Center's Direct-injection Engine Research Consortium (DERC) member companies. The optical engine experiments were performed at the Combustion Research Facility, Sandia National Laboratories, Livermore, CA. Support for this research was provided by the U.S. Department of Energy, Office of Vehicle Technologies. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors gratefully acknowledge the contributions of Chris Carlen and Dave Cicone for their assistance in maintaining the lasers and research engine used in this study. NR 27 TC 20 Z9 20 U1 6 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 2015 VL 162 IS 6 BP 2729 EP 2742 DI 10.1016/j.combustflame.2015.04.009 PG 14 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CQ4RP UT WOS:000360592600037 ER PT J AU Hedlund, BP Murugapiran, SK Alba, TW Levy, A Dodsworth, JA Goertz, GB Ivanova, N Woyke, T AF Hedlund, Brian P. Murugapiran, Senthil K. Alba, Timothy W. Levy, Asaf Dodsworth, Jeremy A. Goertz, Gisele B. Ivanova, Natalia Woyke, Tanja TI Uncultivated thermophiles: current status and spotlight on 'Aigarchaeota' SO CURRENT OPINION IN MICROBIOLOGY LA English DT Review ID YELLOWSTONE-NATIONAL-PARK; RIBOSOMAL-RNA SEQUENCES; HOT-SPRING ENVIRONMENT; MICROBIAL COMMUNITIES; PHYLOGENETIC ANALYSIS; GEN. NOV.; GEOTHERMAL ENVIRONMENTS; FILAMENTOUS BACTERIUM; ARCHAEAL DIVERSITY; CANDIDATE PHYLUM AB Meta-analysis of cultivation-independent sequence data shows that geothermal systems host an abundance of novel organisms, representing a vast unexplored phylogenetic and functional diversity among yet-uncultivated thermophiles. A number of thermophiles have recently been interrogated using metagenomic and/or single-cell genomic approaches, including members of taxonomic groups that inhabit both thermal and non-thermal environments, such as 'Acetothermia' (OP1) and 'Atribacteria' (OP9/JS1), as well as the exclusively thermophilic lineages 'Korarchaeota', 'Calescamantes' (EM19), 'Fervidibacteria' (OctSpA1-106), and 'Aigarchaeota' (HWCG-I). The 'Aigarchaeota', a sister lineage to the Thaumarchaeota, likely includes both hyperthermophiles and moderate thermophiles. They inhabit terrestrial, marine, and subsurface thermal environments and comprise at least nine genus-level lineages, several of which are globally distributed. C1 [Hedlund, Brian P.; Murugapiran, Senthil K.; Alba, Timothy W.; Goertz, Gisele B.] Univ Nevada, Sch Life Sci, Las Vegas, NV 89154 USA. [Hedlund, Brian P.] Univ Nevada, Nevada Inst Personalized Med, Las Vegas, NV 89154 USA. [Levy, Asaf; Ivanova, Natalia; Woyke, Tanja] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. [Dodsworth, Jeremy A.] Calif State Univ San Bernardino, Dept Biol, San Bernardino, CA 92407 USA. RP Hedlund, BP (reprint author), Univ Nevada, Sch Life Sci, Las Vegas, NV 89154 USA. EM brian.hedlund@unlv.edu OI Murugapiran, Senthil/0000-0002-6952-4713; Hedlund, Brian/0000-0001-8530-0448; Ivanova, Natalia/0000-0002-5802-9485 FU NASA Exobiology grant [EXO-NNX11AR78G]; U.S. National Science Foundation [OISE 0968421]; U.S. Department of Energy (DOE) [DE-EE-0000716]; U.S. Department of Energy Joint Genome Institute [CSP-182]; DOE Office of Science User Facility [DE-AC02-05CH11231]; Greg Fullmer through the UNLV Foundation; Richard and Beverly Hermsen Fellowship; Robert E. McNair Foundation; NSF [DBI-1358896] FX This work was supported by NASA Exobiology grant EXO-NNX11AR78G; U.S. National Science Foundation grant OISE 0968421; U.S. Department of Energy (DOE) grant DE-EE-0000716; and the U.S. Department of Energy Joint Genome Institute (CSP-182), a DOE Office of Science User Facility, supported under Contract No. DE-AC02-05CH11231. B.P.H. acknowledges generous support from Greg Fullmer through the UNLV Foundation. T.W.A. was supported by the Richard and Beverly Hermsen Fellowship. G.B.G. was supported by the Robert E. McNair Foundation and NSF DBI-1358896. We acknowledge Steve Quake, Paul Blainey, Jad Kanbar, and Iwijn De Vlaminck for collaboration with single-cell genomics and metagenomics and Hailiang Dong and Brandon Briggs for collaboration with metagenomics. William Inskeep and Jake Beam provided an 'Aigarchaeota' 16S rRNA gene sequence from Octopus Spring. Duane Moser and Scott Hamilton-Brehm provided 16S rRNA gene sequences from the Nevada National Security Site (NNSS). Scott Miller, Ken Jones, Eric Boyd, Trinity Hamilton, Dan Colman, and Cristina Takacs-Vesbach provided raw 16S rRNA gene pyrotag reads. Fengping Wang, William Brazelton, and Matthew Schrenk provided metagenomic datasets. NR 70 TC 1 Z9 1 U1 7 U2 27 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1369-5274 EI 1879-0364 J9 CURR OPIN MICROBIOL JI Curr. Opin. Microbiol. PD JUN PY 2015 VL 25 BP 136 EP 145 DI 10.1016/j.mib.2015.06.008 PG 10 WC Microbiology SC Microbiology GA CQ3OC UT WOS:000360510900020 PM 26113243 ER PT J AU Truex, MJ Vermeul, VR Adamson, DT Oostrom, M Zhong, L Mackley, RD Fritz, BG Horner, JA Johnson, TC Thomle, JN Newcomer, DR Johnson, CD Rysz, M Wietsma, TW Newell, CJ AF Truex, Michael J. Vermeul, Vince R. Adamson, David T. Oostrom, Mart Zhong, Lirong Mackley, Rob D. Fritz, Brad G. Horner, Jake A. Johnson, Tim C. Thomle, Jonathan N. Newcomer, Darrell R. Johnson, Chris D. Rysz, Michal Wietsma, Tom W. Newell, Charles J. TI Field Test of Enhanced Remedial Amendment Delivery Using a Shear-Thinning Fluid SO GROUND WATER MONITORING AND REMEDIATION LA English DT Article ID ZERO-VALENT IRON; ELECTRICAL-RESISTIVITY TOMOGRAPHY; POLYMER-SOLUTIONS; POROUS-MEDIA; BACK-DIFFUSION; TREAT REMEDIATION; PLUME PERSISTENCE; XANTHAN GUM; GUAR GUM; RECOVERY AB Heterogeneity of hydraulic properties in aquifers may lead to contaminants residing in lower-permeability zones where it is difficult to deliver remediation amendments using conventional injection processes. The focus of this study is to examine use of a shear-thinning fluid (STF) to improve the uniformity of remedial amendment distribution within a heterogeneous aquifer. Previous studies have demonstrated the significant potential of STFs for improving remedial amendment delivery in heterogeneous aquifers, but quantitative evaluation of these improvements from field applications is lacking. A field-scale test was conducted that compares data from successive injection of a tracer in water followed by injection of a tracer in an STF to evaluate the impact of the STF on tracer distribution uniformity in the presence of permeability contrasts within the targeted injection zone. Data from tracer breakthrough at multiple depth-discrete monitoring intervals and electrical resistivity tomography (ERT) showed that inclusion of STF in the injection solution improved the distribution of the injected fluid within the targeted treatment zone. One improvement was a reduction in the movement of injected fluids through high-permeability pathways, as evidenced by slower breakthrough of tracer at monitoring locations where breakthrough in baseline tracer-only injection data was faster. In addition, STF-amended injection solutions arrived faster and to a greater extent in monitoring locations within low-permeability zones. ERT data showed that the STF injection covered a higher percentage of a two-dimensional cross section within the injection interval between the injection well and a monitoring well about 3m away. C1 [Truex, Michael J.; Vermeul, Vince R.; Oostrom, Mart; Zhong, Lirong; Mackley, Rob D.; Fritz, Brad G.; Horner, Jake A.; Johnson, Tim C.; Thomle, Jonathan N.; Newcomer, Darrell R.; Johnson, Chris D.; Wietsma, Tom W.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. [Adamson, David T.; Rysz, Michal; Newell, Charles J.] GSI Environm Inc, Newport Beach, CA USA. RP Truex, MJ (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, POB 999,MS K7-73, Richland, WA 99354 USA. EM mj.truex@pnnl.gov FU Department of Defense Environmental Security Technology Certification Program (ESTCP) [ER-0913]; Department of Energy (DOE) [DE-AC06-76RLO 1830] FX This work was funded by the Department of Defense Environmental Security Technology Certification Program (ESTCP), project ER-0913. Pacific Northwest National Laboratory is operated by the Battelle Memorial Institute for the Department of Energy (DOE) under Contract DE-AC06-76RLO 1830. NR 49 TC 2 Z9 2 U1 5 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1069-3629 EI 1745-6592 J9 GROUND WATER MONIT R JI Ground Water Monit. Remediat. PD SUM PY 2015 VL 35 IS 3 BP 34 EP 45 DI 10.1111/gwmr.12101 PG 12 WC Water Resources SC Water Resources GA CQ8FM UT WOS:000360841900003 ER PT J AU Walston, LJ Najjar, SJ LaGory, KE Drake, SM AF Walston, Leroy J. Najjar, Stephen J. LaGory, Kirk E. Drake, Sean M. TI SPATIAL ECOLOGY OF BLANDING'S TURTLES (EMYDOIDEA BLANDINGII) IN SOUTHCENTRAL NEW HAMPSHIRE WITH IMPLICATIONS TO ROAD MORTALITY SO HERPETOLOGICAL CONSERVATION AND BIOLOGY LA English DT Article DE activity; behavior; compositional analysis; conservation; home range; minimum convex polygon ID FRESH-WATER TURTLES; HABITAT USE; HOME-RANGE; SPECIES CONSERVATION; CENTRAL WISCONSIN; MOVEMENTS; LANDSCAPE; POPULATIONS; ONTARIO; WETLAND AB Understanding the spatial ecology and habitat requirements of rare turtle species and the factors that threaten their populations is important for the success of long-term conservation programs. We present results from an eight-year field study in which we used radiotelemetry to monitor the activity and habitat use of 22 adult (seven male, 15 female) Blanding's Turtles (Emydoidea blandingii) in southcentral New Hampshire. Female turtles had significantly larger home ranges (mean = 19.6 ha +/- 3.5 SE) than males (mean = 10.7 ha +/- 0.1 SE). Activity patterns varied by season, with activity increasing each month after hibernation until peaking in June, coinciding with the nesting season. Males selected emergent and scrub-shrub wetlands in each season, whereas females selected scrub-shrub wetlands in spring and ponds in summer and fall. We identified road mortality as a potentially important threat for this population because females had greater road densities within home ranges and crossed roads more frequently than males. We attribute differences in road density and road crossings between the sexes to the irregular long distance nest forays and roadside nest site selection among females. The preservation of wetland networks and the implementation of measures to minimize road mortality are important considerations for the long-term persistence of this population. C1 [Walston, Leroy J.; LaGory, Kirk E.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. [Najjar, Stephen J.] New Boston Air Force Stn, New Boston, NH USA. [Drake, Sean M.] US Forest Serv, White Mt Natl Forest, Gorham, NH USA. RP Walston, LJ (reprint author), Argonne Natl Lab, Div Environm Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM lwalston@anl.gov FU United States Department of Defense; United States Air Force, through the United States Department of Energy [DEAC02-06CH11357] FX We thank the staff of the NBAFS for aiding in turtle collection. This work was supported under a military interdepartmental purchase request from the United States Department of Defense, United States Air Force, through the United States Department of Energy contract DEAC02-06CH11357. NR 38 TC 0 Z9 0 U1 5 U2 29 PU HERPETOLOGICAL CONSERVATION & BIOLOGY PI CORVALLIS PA C/O R BRUCE BURY, USGS FOREST & RANGELAND, CORVALLIS, OR 00000 USA SN 2151-0733 EI 1931-7603 J9 HERPETOL CONSERV BIO JI Herpetol. Conserv. Biol. PD JUN PY 2015 VL 10 IS 1 BP 284 EP 296 PG 13 WC Zoology SC Zoology GA CQ1QK UT WOS:000360373100022 ER PT J AU Buhlmann, KA Koch, SL Butler, BO Tuberville, TD Palermo, VJ Bastarache, BA Cava, ZA AF Buhlmann, Kurt A. Koch, Stephanie L. Butler, Brian O. Tuberville, Tracey D. Palermo, Veronica J. Bastarache, Brian A. Cava, Zachary A. TI REINTRODUCTION AND HEAD-STARTING: TOOLS FOR BLANDING'S TURTLE (EMYDOIDEA BLANDINGII) CONSERVATION SO HERPETOLOGICAL CONSERVATION AND BIOLOGY LA English DT Article DE Emydoidea blandingii; adaptive management; conservation; hatchlings; head-starting; reintroduction; translocation ID SEXUAL-MATURITY; POND TURTLES; TRANSLOCATION; MANAGEMENT; SURVIVAL; SIZE AB We reintroduced Blanding's Turtles (Emydoidea blandingii) to Assabet River National Wildlife Refuge, Massachusetts, USA, evaluating the relative benefits and risks of using various life stages of Blanding's Turtles collected from a donor population within the same watershed, including direct-release hatchlings (released in autumn shortly after hatching), head-started hatchlings (raised in captivity for 9 mo), juveniles, and adults. We developed a simple population model to evaluate which of several release strategies was most likely to result in a stable population at the recipient site while minimizing negative impacts to the donor site. Model results suggested that annual releases consisting largely of head-started hatchlings were most likely to achieve our goal. We released 81 direct-release and 161 head-started hatchlings at the refuge in 2007-2011. Head-started hatchlings were larger (mean = 62.7 mm carapace length, 46.6 g) compared to direct-release hatchlings (mean = 36.3 mm carapace length, 8.8 g). Simultaneous radio-tracking of 12 translocated sub-adults has provided useful information on habitat preferences that we used to select two sites within the refuge for future releases. We also released six head-started hatchlings with radio transmitters (one in 2009 and five in 2010): one was found dead a year after release. We plan to continue monitoring efforts to assess survivorship, growth, and site fidelity of all released Blanding's Turtles and to compare results among the head-started and direct-release hatchlings. We will update our models and reintroduction efforts based on monitoring data. C1 [Buhlmann, Kurt A.; Tuberville, Tracey D.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Koch, Stephanie L.; Cava, Zachary A.] US Fish & Wildlife Serv, Sudbury, MA USA. [Butler, Brian O.; Palermo, Veronica J.] Oxbow Associates Inc, Boxboro, MA USA. [Bastarache, Brian A.] Bristol Cty Agr High Sch, Dighton, MA USA. RP Buhlmann, KA (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. EM kbuhlmann@earthlink.net FU Department of Energy [DE-FC09-07SR22506]; National Fish and Wildlife Foundation [2009-0017-021]; Oxbow Associates, Inc.; Friends of Assabet River National Wildlife Refuge; U.S. Fish and Wildlife Service; Savannah River Ecology Laboratory FX We especially appreciate the field work by Steve Ecrement, Beth Schlimm, Jason St. Sauver and the dedicated care of head-started hatchlings by J. St. Sauver, Eileen McCourty, and the students of Bristol County Agricultural High School. Andrew Grosse helped with the statistical analysis and production of Figure 6, and Brett DeGregorio provided helpful comments on earlier drafts of this manuscript. Manuscript preparation by KAB and TDT was partially supported by the Department of Energy Award Number DE-FC09-07SR22506. Funding and in-kind support was provided by National Fish and Wildlife Foundation (Project 2009-0017-021), Oxbow Associates, Inc., The Friends of Assabet River National Wildlife Refuge, the U.S. Fish and Wildlife Service, and Savannah River Ecology Laboratory. Research was conducted under permits 2011 - 064.11SCRA, 2010 - 106.10SCRA, 2009 - 149.09SCRA, 2008 - 163.08SCRA issued by Massachusetts Division of Fisheries and Wildlife. We greatly appreciate the reviews of this manuscript by Russ Burke. NR 25 TC 1 Z9 2 U1 10 U2 32 PU HERPETOLOGICAL CONSERVATION & BIOLOGY PI CORVALLIS PA C/O R BRUCE BURY, USGS FOREST & RANGELAND, CORVALLIS, OR 00000 USA SN 2151-0733 EI 1931-7603 J9 HERPETOL CONSERV BIO JI Herpetol. Conserv. Biol. PD JUN PY 2015 VL 10 IS 1 BP 436 EP 454 PG 19 WC Zoology SC Zoology GA CQ1QK UT WOS:000360373100027 ER PT J AU Tuberville, TD Norton, TM Buhlmann, KA Greco, V AF Tuberville, Tracey D. Norton, Terry M. Buhlmann, Kurt A. Greco, Veronica TI HEAD-STARTING AS A MANAGEMENT COMPONENT FOR GOPHER TORTOISES (GOPHERUS POLYPHEMUS) SO HERPETOLOGICAL CONSERVATION AND BIOLOGY LA English DT Article DE direct-release; Gopherus polyphemus; Gopher Tortoise; hatchling; head-start; juvenile; survivorship; translocation ID RACCOONS PROCYON-LOTOR; POPULATION; SURVIVAL; CONSERVATION; TURTLE; GROWTH; SURVIVORSHIP; ECOLOGY; FLORIDA; MODELS AB Viability models of turtle populations have shown that after adult survivorship, juvenile survivorship is the most influential parameter affecting population persistence. This suggests that increasing juvenile survivorship, such as through head-starting, might be a useful management strategy. Little is known about survivorship and ecology of juveniles of most turtle species, including even well-studied species such as the Gopher Tortoise (Gopherus polyphemus). Limited data on the fate of headstarted tortoises further constrains attempts to evaluate head-starting as a management tool. We summarize our experiences head-starting Gopher Tortoise hatchlings as part of reintroduction efforts at Savannah River Site (SRS), South Carolina, USA, and St. Catherines Island (SCI), Georgia, USA, and compare survivorship of head-started hatchlings with juveniles manipulated using other techniques. Hatchlings exhibited nearly 100% survivorship during the captive head-start period, but survivorship during the first year post-release varied among cohorts: 17 of 32 (53.1%) 2001 SRS hatchlings, seven of seven (100%) 2005 SCI hatchlings, and one of 32 (3.1%) 2006 SCI hatchlings. For two cohorts, head-started hatchlings performed as well as older non-head-started juvenile tortoises. At least 20.0% of St. Catherines Island neonates that we released into temporary predator-proof cages shortly after hatching (i.e., without head-starting) were known to have survived through their first winter dormancy. Survivorship for all manipulated hatchlings (regardless of treatment) was lowest during the first year post-release. The potential role of head-starting as a management tool merits further investigation. We recommend that future studies include an experimental component to allow critical evaluation of the techniques implemented. C1 [Tuberville, Tracey D.; Buhlmann, Kurt A.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Norton, Terry M.; Greco, Veronica] St Catherines Isl Fdn, Midway, GA 31320 USA. [Norton, Terry M.] Georgia Sea Turtle Ctr, Jekyll Isl, GA 31527 USA. RP Tuberville, TD (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. EM tubervil@uga.edu FU St. Catherines Island Research Foundation; U.S. Forest Service-Savannah River; Department of Energy [DE-FC09-07SR22506] FX We thank Erin Clark, who played an instrumental role in the SRS translocation, and Jennifer Sheehan for her meticulous care of the head-started hatchlings. Bobby Moulis assisted with trapping of animals and collection of eggs from the donor site. We are grateful to Pete Johnston (U.S. Forest Service-Savannah River) for his facilitation of the site use permit process and habitat management of the SRS release site, and his enthusiastic support of the project. We are indebted to Holly Marisco, Debbie Belgio, Jennifer Bew, and Hollis Ann Stewart for their dedicated care of SCI eggs and hatchlings. Katie Haman, Matthew Gordon, and Jordan Kirkpatrick provided critical field assistance in trapping released SCI hatchlings. TDT would like to thank Bess Harris for helping organize data and Andrew Grosse for producing Fig. 3. The SCI portion of this project could not have been conducted without the housing, personnel, and other logistical support provided by Royce Hayes and the St. Catherines Island Foundation staff. Travel support for TDT was made possible by Riverbanks Zoo Conservation Fund, The Environmental Resources Network (TERN, a friends group of Georgia Department of Natural Resources), and The Linnaeus Fund of the Chelonian Research Foundation. Additional support for this project was provided by St. Catherines Island Research Foundation and the U.S. Forest Service-Savannah River. Manuscript preparation was partially supported by the Department of Energy under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. Brett DeGregorio and Kimberly Andrews provided helpful comments that improved earlier drafts of the manuscript. We especially thank Russell Burke for organizing the turtle head-starting symposium held at the 2010 Joint Meetings of Ichthyologists and Herpetologists and for providing the impetus for us to prepare this manuscript. Research was conducted under permits issued by Georgia Department of Natural Resources (29-WCH-07-137, 29-WCH-07-74, 29-WBH-08-188, 29-WBH-09-68, 29-WBH-10-99) and South Carolina Department of Natural Resources (56-2003, 07-2004, G-05-03, G-06-04). Animal protocols were approved by the University of Georgia under Animal Use Permits A2005-10247, A2008-10198. NR 35 TC 0 Z9 0 U1 8 U2 23 PU HERPETOLOGICAL CONSERVATION & BIOLOGY PI CORVALLIS PA C/O R BRUCE BURY, USGS FOREST & RANGELAND, CORVALLIS, OR 00000 USA SN 2151-0733 EI 1931-7603 J9 HERPETOL CONSERV BIO JI Herpetol. Conserv. Biol. PD JUN PY 2015 VL 10 IS 1 BP 455 EP 471 PG 17 WC Zoology SC Zoology GA CQ1QK UT WOS:000360373100028 ER PT J AU Stapp, H AF Stapp, Henry TI Reply to Georgiev: No-Go for Georgiev's No-Go Theorem SO NEUROQUANTOLOGY LA English DT Editorial Material DE quantum Zeno effect; decoherance; mind-brain AB Danko Georgiev has published a series of papers that claim that the Quantum Zeno Effect that I employ in my explanation of how our minds are able to influence our actions is nullifies by environmental decoherence effects. I give here a simple proof that environmental decoherence does not nullify the quantum Zeno effect. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Stapp, H (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov NR 2 TC 0 Z9 0 U1 0 U2 0 PU ANKA PUBLISHER PI BORNOVA PA 116-11 SOK NO.10 K 2 D 2, BORNOVA, IZMIR 35050, TURKEY SN 1303-5150 J9 NEUROQUANTOLOGY JI NeuroQuantology PD JUN PY 2015 VL 13 IS 2 BP 190 EP 191 DI 10.14704/nq.2015.13.2.851 PG 2 WC Neurosciences SC Neurosciences & Neurology GA CM1CI UT WOS:000357417100007 ER PT J AU Loque, D Scheller, HV Pauly, M AF Loque, Dominique Scheller, Henrik V. Pauly, Markus TI Engineering of plant cell walls for enhanced biofuel production SO CURRENT OPINION IN PLANT BIOLOGY LA English DT Review ID FERULIC ACID ESTERASE; UDP-GLUCOSE PYROPHOSPHORYLASE; FESCUE FESTUCA-ARUNDINACEA; CELLULOSE-SYNTHASE; O-ACETYLATION; LIGNIN BIOSYNTHESIS; ARABIDOPSIS-THALIANA; DEPOSITION; XYLAN; EXPRESSION AB The biomass of plants consists predominately of cell walls, a sophisticated composite material composed of various polymer networks including numerous polysaccharides and the polyphenol lignin. In order to utilize this renewable, highly abundant resource for the production of commodity chemicals such as biofuels, major hurdles have to be surpassed to reach economical viability. Recently, major advances in the basic understanding of the synthesis of the various wall polymers and its regulation has enabled strategies to alter the qualitative composition of wall materials. Such emerging strategies include a reduction/alteration of the lignin network to enhance polysaccharide accessibility, reduction of polymer derived processing inhibitors, and increases in polysaccharides with a high hexose/pentose ratio. C1 [Loque, Dominique; Scheller, Henrik V.] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94702 USA. [Loque, Dominique; Scheller, Henrik V.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94702 USA. [Scheller, Henrik V.; Pauly, Markus] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94702 USA. RP Pauly, M (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94702 USA. EM mpauly69@berkeley.edu RI Loque, Dominique/A-8153-2008; Pauly, Markus/B-5895-2008; Scheller, Henrik/A-8106-2008 OI Pauly, Markus/0000-0002-3116-2198; Scheller, Henrik/0000-0002-6702-3560 FU US Department of Energy (DOE); US Department of Energy, Office of Science; Division of Biological Systems Science award [DOE-DE-SC0012400]; Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX The authors would like to express their appreciation of research funding by the US Department of Energy (DOE). MP's research is funded by the US Department of Energy, Office of Science; Division of Biological Systems Science award: DOE-DE-SC0012400. DL and HVS were supported at the Joint BioEnergy Institute by the 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. NR 87 TC 20 Z9 22 U1 9 U2 45 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1369-5266 EI 1879-0356 J9 CURR OPIN PLANT BIOL JI Curr. Opin. Plant Biol. PD JUN PY 2015 VL 25 BP 151 EP 161 DI 10.1016/j.pbi.2015.05.018 PG 11 WC Plant Sciences SC Plant Sciences GA CP4ZA UT WOS:000359889900021 PM 26051036 ER PT J AU Baggu, MM Chowdhury, BH Kimball, JW AF Baggu, Murali M. Chowdhury, Badrul H. Kimball, Jonathan W. TI Comparison of Advanced Control Techniques for Grid Side Converter of Doubly-Fed Induction Generator Back-to-Back Converters to Improve Power Quality Performance During Unbalanced Voltage Dips SO IEEE JOURNAL OF EMERGING AND SELECTED TOPICS IN POWER ELECTRONICS LA English DT Article DE Back-to-back pulsewidth modulation (PWM) converters; current control; direct power control (DPC); doubly-fed induction generator (DFIG); sequence domain control (SDC); voltage dip; voltage source converters (VSCs) ID WIND TURBINES; PWM CONVERTER; INPUT VOLTAGE; DFIG; DESIGN AB A doubly-fed induction generator grid side converter is studied under voltage disturbances. During voltage dips, conventional current control techniques involving the decoupling of d-q axis in the synchronous reference frame (SRF) exhibits oscillations in the stiff dc link voltage, as well as in the active and reactive power outputs of the voltage source converter (VSC). To mitigate the oscillations, an advanced control technique called the sequence domain control (SDC) is evaluated. This approach implements individual controllers in the positive and negative sequence domains and demonstrates stabilization of the dc link voltage to a greater extent during a disturbance, but is more sluggish than the conventional control. An innovative control technique called direct power control (DPC) is also investigated. This control achieves active and reactive power stability with simple active and reactive power control variables replacing the traditional current control loops. The DPC technique is verified using a prototype in the laboratory. A modified DPC algorithm combining the benefits of DPC and SDC to eliminate the current harmonics created by DPC during system disturbances is introduced. The benefits of the proposed controllers are compared using a simulation of voltage dip on a VSC based on the IEC-61400-21 standard. C1 [Baggu, Murali M.] GE Global Res Ctr, Schenectady, NY 12309 USA. [Chowdhury, Badrul H.] Missouri Univ Sci & Technol, Rolla, MO 65409 USA. [Kimball, Jonathan W.] Univ Illinois, Champaign, IL 61801 USA. RP Baggu, MM (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM murali.m.baggu@ieee.org; b.chowdhury@uncc.edu; kimballjw@mst.edu OI Kimball, Jonathan/0000-0002-4061-2007 FU U.S. National Science Foundation [ECS-0523897]; Department of Electrical and Computer Engineering, Missouri University of Science and Technology, Rolla, MO, USA FX This work was supported in part by the U.S. National Science Foundation under Grant ECS-0523897 and in part by the Department of Electrical and Computer Engineering, Missouri University of Science and Technology, Rolla, MO, USA. NR 21 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 2168-6777 J9 IEEE J EM SEL TOP P JI IEEE J. Emerg. Sel. Top. Power Electron. PD JUN PY 2015 VL 3 IS 2 BP 516 EP 524 DI 10.1109/JESTPE.2014.2359205 PG 9 WC Engineering, Electrical & Electronic SC Engineering GA CO6GZ UT WOS:000359256500019 ER PT J AU Romero-Severson, EO Petrie, CL Ionides, E Albert, J Leitner, T AF Romero-Severson, Ethan Obie Petrie, Cody Lee Ionides, Edward Albert, Jan Leitner, Thomas TI Trends of HIV-1 incidence with credible intervals in Sweden 2002-09 reconstructed using a dynamic model of within-patient IgG growth SO INTERNATIONAL JOURNAL OF EPIDEMIOLOGY LA English DT Article DE HIV; incidence estimation; BED assay; differential misclassification; Bayesian methods; bootstrapping ID CAPTURE ENZYME-IMMUNOASSAY; HUMAN-IMMUNODEFICIENCY-VIRUS; TYPE-1 INCIDENCE; UNITED-STATES; SURVEILLANCE DATA; BED; INFECTION; AFRICA; DIAGNOSIS; SUBTYPES AB Background: HIV-1 is a lifelong disease, often without serious symptoms for years after infection, and thus many infected persons go undetected for a long time. This makes it difficult to track incidence, and thus epidemics may go through dramatic changes largely unnoticed, only to be detected years later. Because direct measurement of incidence is expensive and difficult, several biomarker-based tests and algorithms have been developed to distinguish between recent and long-term infections. However, current methods have been criticized and demands for novel methods have been raised. Methods: We developed and applied a biomarker-based incidence model, joining a time-continuous model of immunoglobulin G (IgG) growth (measured by the IgG-capture BED-enzyme immunoassay) with statistical corrections for both sample size and unobserved diagnoses. Our method uses measurements of IgG concentration in newly diagnosed people to calculate the posterior distribution of infection times. Time from infection to diagnosis is modelled for all individuals in a given period and is used to calculate a sample weight to correct for undiagnosed individuals. We then used a bootstrapping method to reconstruct point estimates and credible intervals of the incidence of HIV-1 in Sweden based on a sample of newly diagnosed people. Results: We found evidence for: (i) a slowly but steadily increasing trend in both the incidence and incidence rate in Sweden; and (ii) an increasing but well-controlled epidemic in gay men in Stockholm. Sensitivity analyses showed that our method was robust to realistic levels (up to 15%) of BED misclassification of non-recently infected persons as early infections. Conclusions: We developed a novel incidence estimator based on previously published theoretical work that has the potential to provide rapid, up-to-date estimates of HIV-1 incidence in populations where BED test data are available. C1 [Romero-Severson, Ethan Obie; Petrie, Cody Lee; Leitner, Thomas] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. [Ionides, Edward] Univ Michigan, Dept Stat, Ann Arbor, MI 48109 USA. [Albert, Jan] Karolinska Univ Hosp, Dept Microbiol, Karolinska Inst & Clin Microbiol, Stockholm, Sweden. RP Romero-Severson, EO (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. EM eoromero@lanl.gov FU NIH [AI087520]; U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Science Undergraduate Laboratory Internship (SULI) programme; Swedish Research Council [K2008-56X-09935-17-3]; EU project: SPREAD [QLK2-CT-2001-01344]; EU project: CHAIN 'Collaborative HIV and Anti-HIV Drug Resistance Network' [223131] FX E.O.R.S. and T.L. were supported by NIH grant AI087520. C.L.P. was supported in part by the U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Science Undergraduate Laboratory Internship (SULI) programme. J.A. was supported by Swedish Research Council grant K2008-56X-09935-17-3 and the EU projects: SPREAD (QLK2-CT-2001-01344) and CHAIN (FP7/2007-2013) 'Collaborative HIV and Anti-HIV Drug Resistance Network' grant agreement no. 223131. NR 40 TC 1 Z9 1 U1 0 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0300-5771 EI 1464-3685 J9 INT J EPIDEMIOL JI Int. J. Epidemiol. PD JUN PY 2015 VL 44 IS 3 BP 998 EP 1006 DI 10.1093/ije/dyv034 PG 9 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA CP2JB UT WOS:000359702200034 PM 26163684 ER PT J AU Akarsu, O Dereli, T Vazquez, JA AF Akarsu, Ozgur Dereli, Tekin Vazquez, J. Alberto TI A divergence-free parametrization for dynamical dark energy SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE dark energy experiments; dark energy theory ID VARYING DECELERATION PARAMETER; COSMOLOGICAL CONSTANT; QUINTESSENCE; CONSTRAINTS; EVOLUTION; MODELS AB We introduce a new parametrization for the dark energy, led by the same idea to the linear expansion of the equation of state in scale factor a and in redshift z, which diverges neither in the past nor future and contains the same number of degrees of freedom with the former two. We present constraints of the cosmological parameters using the most updated baryon acoustic oscillation (BAO) measurements along with cosmic microwave background (CMB) data and a recent reanalysis of Type Ia supernova (SN) data. This new parametrization allowed us to carry out successive observational analyses by decreasing its degrees of freedom systematically until ending up with a dynamical dark energy model that has the same number of parameters with ACDM. We found that the dark energy source with a dynamical equation of state parameter equal 2/3 at the early universe and -1 today fits the data slightly better than A. C1 [Akarsu, Ozgur; Dereli, Tekin] Koc Univ, Dept Phys, TR-34450 Istanbul, Turkey. [Vazquez, J. Alberto] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Akarsu, O (reprint author), Koc Univ, Dept Phys, TR-34450 Istanbul, Turkey. EM oakarsu@ku.edu.tr; tdereli@ku.edu.tr; jvazquez@bnl.gov OI Akarsu, Ozgur/0000-0001-6917-6176 FU TUBITAK Research Fellowship [2218]; Roc University FX O.A. acknowledges the support by TUBITAK Research Fellowship for Post-Doctoral Researchers (2218). O.A. and T.D. acknowledge the support from Roc University. Authors thank for the hospitality of the Abdus Salam International Center for Theoretical Physics (ICTP), where part of this work was carried out. NR 35 TC 4 Z9 4 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD JUN PY 2015 IS 6 AR 049 DI 10.1088/1475-7516/2015/06/049 PG 12 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CO5RE UT WOS:000359215400050 ER PT J AU Cholis, I Hooper, D Linden, T AF Cholis, Ilias Hooper, Dan Linden, Tim TI Challenges in explaining the Galactic Center gamma-ray excess with millisecond pulsars SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE millisecond pulsars; gamma ray theory ID LARGE-AREA TELESCOPE; DARK-MATTER; FERMI; BINARIES; MODELS AB Millisecond pulsars have been discussed as a possible source of the gamma-ray excess observed from the region surrounding the Galactic Center. With this in mind, we use the observed population of bright low-mass X-ray binaries to estimate the number of millisecond pulsars in the Inner Galaxy. This calculation suggests that only similar to 1-5% of the excess is produced by millisecond pulsars. We also use the luminosity function derived from local measurements of millisecond pulsars, along with the number of point sources resolved by Fermi, to calculate an upper limit for the diffuse emission from such a population. While this limit is compatible with the millisecond pulsar population implied by the number of low-mass X-ray binaries, it strongly excludes the possibility that most of the excess originates from such objects. C1 [Cholis, Ilias; Hooper, Dan] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Hooper, Dan; Linden, Tim] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. RP Cholis, I (reprint author), Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, POB 500, Batavia, IL 60510 USA. EM cholis@fnal.gov; dhooper@fnal.gov; trlinden@uchicago.edu FU National Aeronautics and Space Administration through Einstein Postdoctoral Fellowship Award [PF3-140110] FX We would like to thank Francesca Calore, Christoph Weniger, and Alex Drlica-Wagner for helpful discussions. This work has been supported by the US Department of Energy. TL is supported by the National Aeronautics and Space Administration through Einstein Postdoctoral Fellowship Award Number PF3-140110. NR 67 TC 30 Z9 30 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD JUN PY 2015 IS 6 AR 043 DI 10.1088/1475-7516/2015/06/043 PG 12 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CO5RE UT WOS:000359215400044 ER PT J AU Binley, A Hubbard, SS Huisman, JA Revil, A Robinson, DA Singha, K Slater, LD AF Binley, Andrew Hubbard, Susan S. Huisman, Johan A. Revil, Andre Robinson, David A. Singha, Kamini Slater, Lee D. TI The emergence of hydrogeophysics for improved understanding of subsurface processes over multiple scales SO WATER RESOURCES RESEARCH LA English DT Review ID GROUND-PENETRATING-RADAR; ELECTRICAL-RESISTIVITY TOMOGRAPHY; SOIL-WATER CONTENT; TIME-DOMAIN REFLECTOMETRY; MAGNETIC-RESONANCE RELAXATION; UNSATURATED POROUS MATERIALS; BACTERIAL TRANSPORT SITE; CROSS-BOREHOLE RADAR; HYDRAULIC CONDUCTIVITY; ELECTROMAGNETIC INDUCTION AB Geophysics provides a multidimensional suite of investigative methods that are transforming our ability to see into the very fabric of the subsurface environment, and monitor the dynamics of its fluids and the biogeochemical reactions that occur within it. Here we document how geophysical methods have emerged as valuable tools for investigating shallow subsurface processes over the past two decades and offer a vision for future developments relevant to hydrology and also ecosystem science. The field of hydrogeophysics arose in the late 1990s, prompted, in part, by the wealth of studies on stochastic subsurface hydrology that argued for better field-based investigative techniques. These new hydrogeophysical approaches benefited from the emergence of practical and robust data inversion techniques, in many cases with a view to quantify shallow subsurface heterogeneity and the associated dynamics of subsurface fluids. Furthermore, the need for quantitative characterization stimulated a wealth of new investigations into petrophysical relationships that link hydrologically relevant properties to measurable geophysical parameters. Development of time-lapse approaches provided a new suite of tools for hydrological investigation, enhanced further with the realization that some geophysical properties may be sensitive to biogeochemical transformations in the subsurface environment, thus opening up the new field of biogeophysics. Early hydrogeophysical studies often concentrated on relatively small plot-scale experiments. More recently, however, the translation to larger-scale characterization has been the focus of a number of studies. Geophysical technologies continue to develop, driven, in part, by the increasing need to understand and quantify key processes controlling sustainable water resources and ecosystem services. C1 [Binley, Andrew] Univ Lancaster, Lancaster Environm Ctr, Lancaster, England. [Hubbard, Susan S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Huisman, Johan A.] Forschungszentrum Julich GmbH, Agrosphere Inst IBG 3, Julich, Germany. [Revil, Andre] Colorado Sch Mines, Dept Geophys, Golden, CO 80401 USA. [Revil, Andre] Univ Savoie, CNRS, UMR CNRS 5275, ISTerre, Le Bourget Du Lac, France. [Robinson, David A.] Ctr Ecol & Hydrol, Soils Land & Ecohydrol, Bangor, Gwynedd, Wales. [Singha, Kamini] Colorado Sch Mines, Dept Geol & Geol Engn, Golden, CO 80401 USA. [Slater, Lee D.] Rutgers State Univ, Dept Earth & Environm Sci, Newark, NJ 07102 USA. RP Binley, A (reprint author), Univ Lancaster, Lancaster Environm Ctr, Lancaster, England. EM a.binley@lancaster.ac.uk RI Huisman, J.A. (Sander)/I-7078-2012; Hubbard, Susan/E-9508-2010; Robinson, David/A-6287-2010; OI Robinson, David/0000-0001-7290-4867; Huisman, Johan Alexander/0000-0002-1327-0945; Binley, Andrew/0000-0002-0938-9070 FU US Department of Energy [DE-AC02-05CH11231] FX Susan Hubbard's contributions were supported by the US Department of Energy under Award Number DE-AC02-05CH11231. NR 237 TC 36 Z9 37 U1 16 U2 82 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 EI 1944-7973 J9 WATER RESOUR RES JI Water Resour. Res. PD JUN PY 2015 VL 51 IS 6 BP 3837 EP 3866 DI 10.1002/2015WR017016 PG 30 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA CN3CK UT WOS:000358301200001 ER PT J AU Skulovich, O Bent, R Judi, D Perelman, LS Ostfeld, A AF Skulovich, Olya Bent, Russell Judi, David Perelman, Lina Sela Ostfeld, Avi TI Piece-wise mixed integer programming for optimal sizing of surge control devices in water distribution systems SO WATER RESOURCES RESEARCH LA English DT Article ID OPTIMIZATION; PROTECTION; HAMMER; DESIGN AB Despite their potential catastrophic impact, transients are often ignored or presented ad hoc when designing water distribution systems. To address this problem, we introduce a new piece-wise function fitting model that is integrated with mixed integer programming to optimally place and size surge tanks for transient control. The key features of the algorithm are a model-driven discretization of the search space, a linear approximation nonsmooth system response surface to transients, and a mixed integer linear programming optimization. Results indicate that high quality solutions can be obtained within a reasonable number of function evaluations and demonstrate the computational effectiveness of the approach through two case studies. The work investigates one type of surge control devices (closed surge tank) for a specified set of transient events. The performance of the algorithm relies on the assumption that there exists a smooth relationship between the objective function and tank size. Results indicate the potential of the approach for the optimal surge control design in water systems. C1 [Skulovich, Olya; Ostfeld, Avi] Technion Israel Inst Technol, Fac Civil & Environm Engn, Haifa, Israel. [Bent, Russell; Judi, David] Los Alamos Natl Lab, Los Alamos, NM USA. [Perelman, Lina Sela] MIT, Dept Civil & Environm Engn, Cambridge, MA 02139 USA. RP Ostfeld, A (reprint author), Technion Israel Inst Technol, Fac Civil & Environm Engn, Haifa, Israel. EM ostfeld@tx.technion.ac.il OI Bent, Russell/0000-0002-7300-151X FU Technion Grand Water Research Institute; joint Israeli Office of the Chief Scientist (OCS) Ministry of Science, Technology and Space (MOST); Germany Federal Ministry of Education and Research (BMBF) [02WA1298]; National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; Department of Homeland Security under the Department of Energy FX This study was supported by the Technion Grand Water Research Institute and by the joint Israeli Office of the Chief Scientist (OCS) Ministry of Science, Technology and Space (MOST), and by the Germany Federal Ministry of Education and Research (BMBF), under project 02WA1298. The work at LANL was carried out under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under contract DE-AC52-06NA25396. The Department of Homeland Security also sponsored the production of this material under the Department of Energy contract for the management and operation of Los Alamos National Laboratory. We also are grateful for the comments provided by Lisa Inkrit. NR 33 TC 1 Z9 1 U1 2 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 EI 1944-7973 J9 WATER RESOUR RES JI Water Resour. Res. PD JUN PY 2015 VL 51 IS 6 BP 4391 EP 4408 DI 10.1002/2014WR016256 PG 18 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA CN3CK UT WOS:000358301200028 ER PT J AU Barajas-Solano, DA Wohlberg, BE Vesselinov, VV Tartakovsky, DM AF Barajas-Solano, D. A. Wohlberg, B. E. Vesselinov, V. V. Tartakovsky, D. M. TI Linear functional minimization for inverse modeling SO WATER RESOURCES RESEARCH LA English DT Article ID DIFFERENTIAL-EQUATIONS; HYDROGEOLOGY; TOMOGRAPHY AB We present a novel inverse modeling strategy to estimate spatially distributed parameters of nonlinear models. The maximum a posteriori (MAP) estimators of these parameters are based on a likelihood functional, which contains spatially discrete measurements of the system parameters and spatiotemporally discrete measurements of the transient system states. The piecewise continuity prior for the parameters is expressed via Total Variation (TV) regularization. The MAP estimator is computed by minimizing a nonquadratic objective equipped with the TV operator. We apply this inversion algorithm to estimate hydraulic conductivity of a synthetic confined aquifer from measurements of conductivity and hydraulic head. The synthetic conductivity field is composed of a low-conductivity heterogeneous intrusion into a high-conductivity heterogeneous medium. Our algorithm accurately reconstructs the location, orientation, and extent of the intrusion from the steady-state data only. Addition of transient measurements of hydraulic head improves the parameter estimation, accurately reconstructing the conductivity field in the vicinity of observation locations. C1 [Barajas-Solano, D. A.; Tartakovsky, D. M.] Univ Calif San Diego, Dept Mech & Aerosp Engn, San Diego, CA 92103 USA. [Wohlberg, B. E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. [Vesselinov, V. V.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Tartakovsky, DM (reprint author), Univ Calif San Diego, Dept Mech & Aerosp Engn, San Diego, CA 92103 USA. EM dmt@ucsd.edu RI Wohlberg, Brendt/M-7764-2015; Vesselinov, Velimir/P-4724-2016 OI Wohlberg, Brendt/0000-0002-4767-1843; Vesselinov, Velimir/0000-0002-6222-0530 FU Environmental Programs Directorate of the Los Alamos National Laboratory; Advanced Simulation Capability for Environmental Management (ASCEM; Department of Energy) project; Air Force Office of Scientific Research [DE-FG02-07ER25815]; National Science Foundation [EAR-1246315] FX This research was supported in part by the Environmental Programs Directorate of the Los Alamos National Laboratory, the Advanced Simulation Capability for Environmental Management (ASCEM; Department of Energy) project, Air Force Office of Scientific Research (DE-FG02-07ER25815), and National Science Foundation (EAR-1246315). All of the data used in the development of the manuscript are generated from sources expressed in the reference list. NR 23 TC 2 Z9 2 U1 1 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 EI 1944-7973 J9 WATER RESOUR RES JI Water Resour. Res. PD JUN PY 2015 VL 51 IS 6 BP 4516 EP 4531 DI 10.1002/2014WR016179 PG 16 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA CN3CK UT WOS:000358301200034 ER PT J AU Siirila-Woodburn, ER Fernandez-Garcia, D Sanchez-Vila, X AF Siirila-Woodburn, Erica R. Fernandez-Garcia, Daniel Sanchez-Vila, Xavier TI Improving the accuracy of risk prediction from particle-based breakthrough curves reconstructed with kernel density estimators SO WATER RESOURCES RESEARCH LA English DT Article ID POROUS-MEDIA; GROUNDWATER; METHODOLOGY; HETEROGENEITY; DISTRIBUTIONS; SIMULATIONS; TRANSPORT AB While particle tracking techniques are often used in risk frameworks, the number of particles needed to properly derive risk metrics such as average concentration for a given exposure duration is often unknown. If too few particles are used, error may propagate into the risk estimate. In this work, we provide a less error-prone methodology for the direct reconstruction of exposure duration averaged concentration versus time breakthrough curves from particle arrival times at a compliance surface. The approach is based on obtaining a suboptimal kernel density estimator that is applied to the sampled particle arrival times. The corresponding estimates of risk metrics obtained with this method largely outperform those by means of traditional methods (reconstruction of the breakthrough curve followed by the integration of concentration in time over the exposure duration). This is particularly true when the number of particles used in the numerical simulation is small ( <10(5)), and for small exposure times. Percent error in the peak of averaged breakthrough curves is approximately zero for all scenarios and all methods tested when the number of particles is 10(5). Our results illustrate that obtaining a representative average exposure concentration is reliant on the information contained in each individual tracked particle, more so when the number of particles is small. They further illustrate the usefulness of defining problem-specific kernel density estimators to properly reconstruct the observables of interest in a particle tracking framework without relying on the use of an extremely large number of particles. C1 [Siirila-Woodburn, Erica R.; Fernandez-Garcia, Daniel; Sanchez-Vila, Xavier] Univ Politecn Cataluna, Dept Geotech Engn & Geosci, Hydrogeol Grp, Barcelona, Spain. RP Siirila-Woodburn, ER (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM erwoodburn@lbl.gov RI Siirila-Woodburn, Erica/B-6527-2015 OI Siirila-Woodburn, Erica/0000-0001-9406-124X FU Spanish Ministry of Science and Innovation [CSD2009-00065, CGL2012-38120]; EU [619120]; ICREA Academia Program FX The authors acknowledge the financial support provided by the Spanish Ministry of Science and Innovation, projects SCARCE Consolider-Ingenio 2010 (reference CSD2009-00065) and FEAR (CGL2012-38120), by the EU (project MARSOL, FP7-ENV-2013, grant 619120), and by the ICREA Academia Program. We would also like to thank Wolfgang Nowak and two anonymous reviewers for their constructive comments on this paper. Data can be obtained by contacting the authors. NR 37 TC 3 Z9 3 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 EI 1944-7973 J9 WATER RESOUR RES JI Water Resour. Res. PD JUN PY 2015 VL 51 IS 6 BP 4574 EP 4591 DI 10.1002/2014WR016394 PG 18 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA CN3CK UT WOS:000358301200037 ER PT J AU Chang, Y Wang, SS Sekimoto, S Aerts, AL Choi, C Clum, A LaButti, KM Lindquist, EA Ngan, CY Ohm, RA Salamov, AA Grigoriev, IV Spatafora, JW Berbee, ML AF Chang, Ying Wang, Sishuo Sekimoto, Satoshi Aerts, Andrea L. Choi, Cindy Clum, Alicia LaButti, Kurt M. Lindquist, Erika A. Ngan, Chew Yee Ohm, Robin A. Salamov, Asaf A. Grigoriev, Igor V. Spatafora, Joseph W. Berbee, Mary L. TI Phylogenomic Analyses Indicate that Early Fungi Evolved Digesting CellWalls of Algal Ancestors of Land Plants SO GENOME BIOLOGY AND EVOLUTION LA English DT Article DE carbohydrate active enzymes; evolution; fungal phylogeny; geological time; Gonapodya; pectinases; streptophytes ID NONBINARY SPECIES TREES; SEQUENCE ALIGNMENT; MOLECULAR CLOCK; MAXIMUM-LIKELIHOOD; EARLY EVOLUTION; ENZYME SETS; GENE TREE; COLONIZATION; ORIGIN; INFERENCE AB As decomposers, fungi are key players in recycling plant material in global carbon cycles. We hypothesized that genomes of early diverging fungi may have inherited pectinases from an ancestral species that had been able to extract nutrients from pectin-containing land plants and their algal allies (Streptophytes). We aimed to infer, based on pectinase gene expansions and on the organismal phylogeny, the geological timing of the plant-fungus association. We analyzed 40 fungal genomes, three of which, including Gonapodya prolifera, were sequenced for this study. In the organismal phylogeny from 136 housekeeping loci, Rozella diverged first from all other fungi. Gonapodya prolifera was included among the flagellated, predominantly aquatic fungal species in Chytridiomycota. Sister to Chytridiomycota were the predominantly terrestrial fungi including zygomycota I and zygomycota II, along with the ascomycetes and basidiomycetes that comprise Dikarya. The Gonapodya genome has 27 genes representing five of the seven classes of pectin-specific enzymes known from fungi. Most of these share a common ancestry with pectinases from Dikarya. Indicating functional and sequence similarity, Gonapodya, like many Dikarya, can use pectin as a carbon source for growth in pure culture. Shared pectinases of Dikarya and Gonapodya provide evidence that even ancient aquatic fungi had adapted to extract nutrients from the plants in the green lineage. This implies that 750 million years, the estimated maximum age of origin of the pectin-containing streptophytes represents a maximum age for the divergence of Chytridiomycota from the lineage including Dikarya. C1 [Chang, Ying; Wang, Sishuo; Sekimoto, Satoshi; Berbee, Mary L.] Univ British Columbia, Dept Bot, Vancouver, BC, Canada. [Sekimoto, Satoshi] Natl Inst Technol & Evaluat, NITE Biol Resource Ctr NBRC, Chiba, Japan. [Aerts, Andrea L.; Choi, Cindy; Clum, Alicia; LaButti, Kurt M.; Lindquist, Erika A.; Ngan, Chew Yee; Ohm, Robin A.; Salamov, Asaf A.; Grigoriev, Igor V.] DOE Joint Genome Inst, Walnut Creek, CA USA. [Spatafora, Joseph W.] Oregon State Univ, Dept Bot & Plant Pathol, Corvallis, OR 97331 USA. RP Chang, Y (reprint author), Univ British Columbia, Dept Bot, Vancouver, BC, Canada. EM niuerchang@gmail.com RI Ohm, Robin/I-6689-2016; OI Wang, Sishuo/0000-0002-7220-7305 FU Canadian National Science and Engineering Research Council [412318-11, 138427-11]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors thank Dannie Durand, Paul Lewis, Owais Mahmudi, Karen Musemann, Apurva Narechania, Lazlo Nagy, and Heiko Schmidt for their kind help on the usage of various software. The Canadian Center for the Culture of Microorganisms provided fungal strains used in this study. Joyce Longcore (University of Maine) provided Gonapodya prolifera and Kerry O'Donnell (USDA Agricultural Research Service) provided Coemansia reversa and Conidiobolus coronatus strains for genome sequencing. Thanks to the following researchers/groups for permission to use genomes ahead of publication: Scott Baker for JGI's Piromyces E2; Tim James for Rozella allomycis; Francis Martin for Rhizophagus irregularis; and Inaki Ruiz-Trillo and members of the Broad Institute "Origins of Multicellularity" consortium, seven genomes listed in supplementary table S1, Supplementary Material online. This work was supported by a Canadian National Science and Engineering Research Council grant [412318-11 and 138427-11 to M.L.B.]; work conducted by the U.S. Department of Energy Joint Genome Institute was supported by the Office of Science of the U.S. Department of Energy [Contract no. DE-AC02-05CH11231]. NR 71 TC 11 Z9 11 U1 11 U2 44 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1759-6653 J9 GENOME BIOL EVOL JI Genome Biol. Evol. PD JUN PY 2015 VL 7 IS 6 BP 1590 EP 1601 DI 10.1093/gbe/evv090 PG 12 WC Evolutionary Biology; Genetics & Heredity SC Evolutionary Biology; Genetics & Heredity GA CN9WB UT WOS:000358800100014 PM 25977457 ER PT J AU De Prado, ML AF De Prado, Marcos Lopez TI The Future of Empirical Finance SO JOURNAL OF PORTFOLIO MANAGEMENT LA English DT Article C1 [De Prado, Marcos Lopez] Guggenheim Partners, New York, NY 10017 USA. [De Prado, Marcos Lopez] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP De Prado, ML (reprint author), Guggenheim Partners, New York, NY 10017 USA. EM lopezdeprado@lbl.gov NR 16 TC 2 Z9 2 U1 0 U2 1 PU INST INVESTOR INC PI NEW YORK PA 225 PARK AVE SOUTH, NEW YORK, NY 10003 USA SN 0095-4918 EI 2168-8656 J9 J PORTFOLIO MANAGE JI J. Portf. Manage. PD SUM PY 2015 VL 41 IS 4 BP 140 EP 144 DI 10.3905/jpm.2015.41.4.140 PG 5 WC Business, Finance SC Business & Economics GA CN9PV UT WOS:000358782200014 ER PT J AU Dellsy, RA Parker, MC Rigterink, DT AF Dellsy, Robert A. Parker, Morgan C. Rigterink, Douglas T. TI Multi-Scale, Interdisciplinary Systems Analysis for Naval Platforms SO NAVAL ENGINEERS JOURNAL LA English DT Article AB As the complexity of the systems aboard the new classes of ships being commissioned by the United States Navy has increased, the capability of the Navy's system analysis tools to analyze these systems has struggled to keep up. This has driven an increase in cost, technical risk, and longer schedules on these new acquisition programs. In order to ameliorate this situation, the authors of this paper suggest unifying the Navy's system analysis capability around the Leading Edge Architecture for Prototyping Systems (LEAPS), a data format mandated by the Naval Sea Systems Command. In this paper, the authors describe a network-based systems model for ship systems and demonstrate how a system modeled in this way can be expressed to load-flow analysis software, a time-domain electrical analysis code, a ship synthesis tool, and a deactivation-diagram-based systems vulnerability code. C1 [Dellsy, Robert A.] Univ Michigan, Argonne Natl Labs, Ann Arbor, MI 48109 USA. [Dellsy, Robert A.] Ben Gur Univ, Beer Sheva, Israel. [Parker, Morgan C.] Univ Michigan, Dept Naval Architecture & Marine Engn, Ann Arbor, MI 48109 USA. [Rigterink, Douglas T.] Univ Michigan, Naval Architecture & Marine Engn, Ann Arbor, MI 48109 USA. RP Dellsy, RA (reprint author), Univ Michigan, Argonne Natl Labs, Ann Arbor, MI 48109 USA. NR 7 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC NAVAL ENG INC PI ALEXANDRIA PA 1452 DUKE STREET, ALEXANDRIA, VA 22314-3458 USA SN 0028-1425 EI 1559-3584 J9 NAV ENG J JI Nav. Eng. J. PD JUN PY 2015 VL 127 IS 2 BP 93 EP 100 PG 8 WC Engineering, Marine; Engineering, Civil; Oceanography SC Engineering; Oceanography GA CO5CV UT WOS:000359178100004 ER PT J AU Colgan, J Fontes, CJ Zhang, HL Abdallah, J AF Colgan, James Fontes, Christopher J. Zhang, Honglin Abdallah, Joseph TI Collisional-Radiative Modeling of Tungsten at Temperatures of 1200-2400 eV SO ATOMS LA English DT Article ID HIGHLY-CHARGED IONS; CROSS-SECTIONS; TRANSITION; IONIZATION; WORKSHOP; OPACITY AB We discuss new collisional-radiative modeling calculations of tungsten at moderate temperatures of 1200 to 2400 eV. Such plasma conditions are relevant to ongoing experimental work at ASDEX Upgrade and are expected to be relevant for ITER. Our calculations are made using the Los Alamos National Laboratory (LANL) collisional-radiative modeling ATOMIC code. These calculations formed part of a submission to the recent NLTE-8 workshop that was held in November 2013. This series of workshops provides a forum for detailed comparison of plasma and spectral quantities from NLTE collisional-radiative modeling codes. We focus on the LANL ATOMIC calculations for tungsten that were submitted to the NLTE-8 workshop and discuss different models that were constructed to predict the tungsten emission. In particular, we discuss comparisons between semi-relativistic configuration-average and fully relativistic configuration-average calculations. We also present semi-relativistic calculations that include fine-structure detail, and discuss the difficult problem of ensuring completeness with respect to the number of configurations included in a CR calculation. C1 [Colgan, James; Abdallah, Joseph] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Fontes, Christopher J.; Zhang, Honglin] Los Alamos Natl Lab, Computat Phys Div, Los Alamos, NM 87545 USA. RP Colgan, J (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM jcolgan@lanl.gov; cjf@lanl.gov; zhang@lanl.gov; abd@lanl.gov NR 17 TC 1 Z9 1 U1 0 U2 0 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2218-2004 J9 ATOMS JI Atoms PD JUN PY 2015 VL 3 IS 2 BP 76 EP 85 DI 10.3390/atoms3020076 PG 10 WC Physics, Atomic, Molecular & Chemical SC Physics GA CM5LB UT WOS:000357728200002 ER PT J AU Beiersdorfer, P Clementson, J Safronova, UI AF Beiersdorfer, Peter Clementson, Joel Safronova, Ulyana I. TI Tungsten Data for Current and Future Uses in Fusion and Plasma Science SO ATOMS LA English DT Article ID BEAM ION-TRAP; X-RAY SPECTROMETER; HIGHLY CHARGED IONS; EBIT SPECTROSCOPY; RESONANCE LINES; ATOMIC DATA; W-IONS; SPECTRA; ITER; PROJECT AB We give a brief overview of our recent experimental and theoretical work involving highly charged tungsten ions in high-temperature magnetically confined plasmas. Our work includes X-ray and extreme ultraviolet spectroscopy, state-of-the-art structure calculations, the generation of dielectronic recombination rate coefficients, collisional-radiative spectral modeling and assessments of the atomic data need for X-ray diagnostics monitoring of the parameters of the core plasma of future tokamaks, such as ITER. We give examples of our recent results in these areas. C1 [Beiersdorfer, Peter; Clementson, Joel] Lawrence Livermore Natl Lab, Dept Phys, Livermore, CA 94550 USA. [Safronova, Ulyana I.] Univ Nevada, Dept Phys, Reno, NV 89557 USA. RP Beiersdorfer, P (reprint author), Lawrence Livermore Natl Lab, Dept Phys, Livermore, CA 94550 USA. EM beiersdorfer1@llnl.gov; joel.clementson@gmail.com; Ulyana.I.Safronova.2@nd.edu NR 83 TC 4 Z9 4 U1 3 U2 7 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2218-2004 J9 ATOMS JI Atoms PD JUN PY 2015 VL 3 IS 2 BP 260 EP 272 DI 10.3390/atoms3020260 PG 13 WC Physics, Atomic, Molecular & Chemical SC Physics GA CM5LB UT WOS:000357728200008 ER PT J AU Vugrin, ED Verzi, SJ Finley, PD Turnquist, MA Griffin, AR Ricci, KA Wyte-Lake, T AF Vugrin, Eric D. Verzi, Stephen J. Finley, Patrick D. Turnquist, Mark A. Griffin, Anne R. Ricci, Karen A. Wyte-Lake, Tamar TI Modeling Evacuation of a Hospital without Electric Power SO PREHOSPITAL AND DISASTER MEDICINE LA English DT Article DE hospital evacuation; infrastructure disruption; modeling ID HURRICANE-KATRINA; LESSONS; DISASTERS; TIME AB Hospital evacuations that occur during, or as a result of, infrastructure outages are complicated and demanding. Loss of infrastructure services can initiate a chain of events with corresponding management challenges. This report describes a modeling case study of the 2001 evacuation of the Memorial Hermann Hospital in Houston, Texas (USA). The study uses a model designed to track such cascading events following loss of infrastructure services and to identify the staff, resources, and operational adaptations required to sustain patient care and/or conduct an evacuation. The model is based on the assumption that a hospital's primary mission is to provide necessary medical care to all of its patients, even when critical infrastructure services to the hospital and surrounding areas are disrupted. Model logic evaluates the hospital's ability to provide an adequate level of care for all of its patients throughout a period of disruption. If hospital resources are insufficient to provide such care, the model recommends an evacuation. Model features also provide information to support evacuation and resource allocation decisions for optimizing care over the entire population of patients. This report documents the application of the model to a scenario designed to resemble the 2001 evacuation of the Memorial Hermann Hospital, demonstrating the model's ability to recreate the timeline of an actual evacuation. The model is also applied to scenarios demonstrating how its output can inform evacuation planning activities and timing. Vugrin ED, Verzi SJ, Finley PD, Turnquist MA, Griffin AR, Ricci KA, Wyte-Lake T. Modeling evacuation of a hospital without electric power. C1 [Vugrin, Eric D.; Verzi, Stephen J.; Finley, Patrick D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Turnquist, Mark A.] Cornell Univ, Ithaca, NY USA. [Griffin, Anne R.; Ricci, Karen A.; Wyte-Lake, Tamar] US Vet Adm, Vet Emergency Management Evaluat Ctr, North Hills, CA USA. RP Vugrin, ED (reprint author), Sandia Natl Labs, POB 5800,MS1138, Albuquerque, NM 87185 USA. EM edvugrin@sandia.gov NR 20 TC 1 Z9 1 U1 1 U2 3 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1049-023X EI 1945-1938 J9 PREHOSPITAL DISASTER JI Prehospital Disaster Med. PD JUN PY 2015 VL 30 IS 3 BP 279 EP 287 DI 10.1017/S1049023X15000230 PG 9 WC Emergency Medicine SC Emergency Medicine GA CN4OP UT WOS:000358410000012 PM 25868416 ER PT J AU Parish, CM AF Parish, Chad M. TI When will Low-Contrast Features be Visible in a STEM X-Ray Spectrum Image? SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE STEM; X-ray mapping; spectrum imaging; simulation ID MULTIVARIATE STATISTICAL-ANALYSIS; NANOSTRUCTURED FERRITIC ALLOYS; ELECTRON-SOLID INTERACTIONS; SPATIAL-RESOLUTION; MECHANICAL-PROPERTIES; PARALLEL SIMULATION; ION-IRRADIATION; THIN FOILS; NANOCLUSTERS; MICROSCOPE AB When will a small or low-contrast feature, such as an embedded second-phase particle, be visible in a scanning transmission electron microscopy (STEM) X-ray map? This work illustrates a computationally inexpensive method to simulate X-ray maps and spectrum images (SIs), based upon the equations of X-ray generation and detection. To particularize the general procedure, an example of nanostructured ferritic alloy (NFA) containing nm-sized Y2Ti2O7 embedded precipitates in ferritic stainless steel matrix is chosen. The proposed model produces physically appearing simulated SI data sets, which can either be reduced to X-ray dot maps or analyzed via multivariate statistical analysis. Comparison to NFA X-ray maps acquired using three different STEM instruments match the generated simulations quite well, despite the large number of simplifying assumptions used. A figure of merit of electron dose multiplied by X-ray collection solid angle is proposed to compare feature detectability from one data set (simulated or experimental) to another. The proposed method can scope experiments that are feasible under specific analysis conditions on a given microscope. Future applications, such as spallation proton-neutron irradiations, core-shell nanoparticles, or dopants in polycrystalline photovoltaic solar cells, are proposed. C1 Oak Ridge Natl Lab, Radiat Effects & Microstruct Anal Grp, Oak Ridge, TN 37831 USA. RP Parish, CM (reprint author), Oak Ridge Natl Lab, Radiat Effects & Microstruct Anal Grp, 1 Bethel Valley Rd,MS6064, Oak Ridge, TN 37831 USA. EM parishcm@ornl.gov RI Parish, Chad/J-8381-2013 FU US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; State of North Carolina; National Science Foundation FX This work was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. Work on the CM200 and HF3300 microscopes was supported through a user project at 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. The author acknowledges the use of the Analytical Instrumentation Facility (AIF) at North Carolina State University, which is supported by the State of North Carolina and the National Science Foundation. The author thanks Dr. D.T. Hoelzer, ORNL, for the 14YWT specimen material, Dr. D.A. Cullen, ORNL, for assistance with the Hitachi HF330, and Dr. Xiahan Sang and Prof. J. LeBeau, NCSU, for assistance with the FEI Titan G2. NR 64 TC 5 Z9 5 U1 1 U2 6 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 EI 1435-8115 J9 MICROSC MICROANAL JI Microsc. microanal. PD JUN PY 2015 VL 21 IS 3 BP 706 EP 724 DI 10.1017/S1431927615000215 PG 19 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA CO0JJ UT WOS:000358836400019 PM 26149346 ER PT J AU Cheng, SC Song, CY Ercius, P AF Cheng, Shangcong Song, Chengyu Ercius, Peter TI Nanophase structures of commercial Pyrex glass cookware made from borosilicate and from soda lime silicate SO PHYSICS AND CHEMISTRY OF GLASSES-EUROPEAN JOURNAL OF GLASS SCIENCE AND TECHNOLOGY PART B LA English DT Article ID ENERGY-LOSS SPECTROSCOPY; BORON; EDGE AB On the commercial market, there are two kinds of Pyrex (R) glass cookware. One is made from borosilicate glass, the other from soda lime silica glass. It is reported that the thermal expansion coefficient of soda lime silica glass is about three times higher than that of the borosilicate glass, and this can cause glassware to fail and create a hazard. We examined the nano phase structures of commercial Pyrex glasses by transmission electron microscopy (TEM) Fresnel contrast images, which we show is well suited to the characterization of the nanophase structures of glasses. Our results show that the nanophase structure of the soda lime silica Pyrex glass is spinodal, in contrast to the droplet structure of the borosilicate Pyrex glass. The influences of the nanostructures of the glasses on their thermal properties are discussed. C1 [Cheng, Shangcong; Song, Chengyu; Ercius, Peter] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Cheng, SC (reprint author), Retiree Corning Inc, Corning, NY 14830 USA. EM shangcongcheng@lbl.gov RI Foundry, Molecular/G-9968-2014 FU National Center for Electron Microscopy, Lawrence Berkeley Lab; US Department of Energy [DE-AC02-05CH11231] FX One of the authors (S.C.) is grateful for discussion with Drs P. Rice and K. Bustillo. The authors acknowledge support of the National Center for Electron Microscopy, Lawrence Berkeley Lab, which is supported by the US Department of Energy under Contract # DE-AC02-05CH11231. NR 27 TC 0 Z9 0 U1 1 U2 2 PU SOC GLASS TECHNOLOGY PI SHEFFIELD PA 9 CHURCHILL WAY, SHEFFIELD S35 2PY, CHAPELTOWN, ENGLAND SN 1753-3562 J9 PHYS CHEM GLASSES-B JI Phys. Chem. Glasses-Eur. J. Glass Sci. Technol. Part B PD JUN PY 2015 VL 56 IS 3 BP 108 EP 114 PG 7 WC Chemistry, Physical; Materials Science, Ceramics SC Chemistry; Materials Science GA CN9HP UT WOS:000358758200004 ER PT J AU Walsh, KJE Camargo, SJ Vecchi, GA Daloz, AS Elsner, J Emanuel, K Horn, M Lim, YK Roberts, M Patricola, C Scoccimarro, E Sobel, AH Strazzo, S Villarini, G Wehner, M Zhao, M Kossin, JP Larow, T Oouchi, K Schubert, S Wang, H Bacmeister, J Chang, P Chauvin, F Jablonowski, C Kumar, A Murakami, H Ose, T Reed, KA Saravanan, R Yamada, Y Zarzycki, CM Vidale, PL Jonas, JA Henderson, N AF Walsh, Kevin J. E. Camargo, Suzana J. Vecchi, Gabriel A. Daloz, Anne Sophie Elsner, James Emanuel, Kerry Horn, Michael Lim, Young-Kwon Roberts, Malcolm Patricola, Christina Scoccimarro, Enrico Sobel, Adam H. Strazzo, Sarah Villarini, Gabriele Wehner, Michael Zhao, Ming Kossin, James P. LaRow, Tim Oouchi, Kazuyoshi Schubert, Siegfried Wang, Hui Bacmeister, Julio Chang, Ping Chauvin, Fabrice Jablonowski, Christiane Kumar, Arun Murakami, Hiroyuki Ose, Tomoaki Reed, Kevin A. Saravanan, Ramalingam Yamada, Yohei Zarzycki, Colin M. Vidale, Pier Luigi Jonas, Jeffrey A. Henderson, Naomi TI HURRICANES AND CLIMATE The US CLIVAR Working Group on Hurricanes SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Article ID TROPICAL CYCLONE ACTIVITY; GENERAL-CIRCULATION MODELS; RADIATIVE-CONVECTIVE EQUILIBRIUM; SEA-SURFACE TEMPERATURES; GENESIS POTENTIAL INDEX; CMIP5 MODELS; FUTURE CHANGES; 20-1ST-CENTURY PROJECTIONS; MAXIMUM INTENSITY; ATMOSPHERIC MODEL AB While a quantitative climate theory of tropical cyclone formation remains elusive, considerable progress has been made recently in our ability to simulate tropical cyclone climatologies and to understand the relationship between climate and tropical cyclone formation. Climate models are now able to simulate a realistic rate of global tropical cyclone formation, although simulation of the Atlantic tropical cyclone climatology remains challenging unless horizontal resolutions finer than 50 km are employed. This article summarizes published research from the idealized experiments of the Hurricane Working Group of U.S. Climate and Ocean: Variability, Predictability and Change (CLIVAR). This work, combined with results from other model simulations, has strengthened relationships between tropical cyclone formation rates and climate variables such as midtropospheric vertical velocity, with decreased climatological vertical velocities leading to decreased tropical cyclone formation. Systematic differences are shown between experiments in which only sea surface temperature is increased compared with experiments where only atmospheric carbon dioxide is increased. Experiments where only carbon dioxide is increased are more likely to demonstrate a decrease in tropical cyclone numbers, similar to the decreases simulated by many climate models for a future, warmer climate. Experiments where the two effects are combined also show decreases in numbers, but these tend to be less for models that demonstrate a strong tropical cyclone response to increased sea surface temperatures. Further experiments are proposed that may improve our understanding of the relationship between climate and tropical cyclone formation, including experiments with two-way interaction between the ocean and the atmosphere and variations in atmospheric aerosols. C1 [Walsh, Kevin J. E.; Horn, Michael] Univ Melbourne, Parkville, Vic 3010, Australia. [Camargo, Suzana J.; Sobel, Adam H.; Henderson, Naomi] Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY USA. [Vecchi, Gabriel A.; Zhao, Ming; Murakami, Hiroyuki] Geophys Fluid Dynam Lab, Princeton, NJ USA. [Daloz, Anne Sophie] Univ Wisconsin, Space Sci & Engn Ctr, Madison, WI USA. [Elsner, James; Strazzo, Sarah; LaRow, Tim] Florida State Univ, Tallahassee, FL 32306 USA. [Emanuel, Kerry] MIT, Cambridge, MA 02139 USA. [Lim, Young-Kwon] NASA, Goddard Space Flight Ctr, Global Modeling & Assimilat Off, Greenbelt, MD 20771 USA. [Lim, Young-Kwon] Goddard Earth Sci Technol & Res, Greenbelt, MD USA. [Lim, Young-Kwon] IM Syst Grp, Greenbelt, MD USA. [Roberts, Malcolm] Met Off, Exeter, Devon, England. [Patricola, Christina; Chang, Ping; Saravanan, Ramalingam] Texas A&M Univ, College Stn, TX USA. [Scoccimarro, Enrico] Ist Nazl Geofis & Vulcanol, Bologna, Italy. [Scoccimarro, Enrico] Ctr Euromediterraneo Cambiamenti Climat, Bologna, Italy. [Villarini, Gabriele] Univ Iowa, Iowa City, IA USA. [Wehner, Michael] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kossin, James P.] NOAA, NCDC, Asheville, NC USA. [Oouchi, Kazuyoshi; Yamada, Yohei] JAMSTEC, Yokohama, Kanagawa, Japan. [Schubert, Siegfried] NASA, Goddard Space Flight Ctr, Global Modeling & Assimilat Off, Greenbelt, MD 20771 USA. [Wang, Hui; Kumar, Arun] NOAA, NCEP, College Pk, MD USA. [Bacmeister, Julio; Reed, Kevin A.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Chauvin, Fabrice] Meteo France, Toulouse, France. [Zarzycki, Colin M.] Univ Michigan, Ann Arbor, MI 48109 USA. [Ose, Tomoaki] Japan Meteorol Agcy, Meteorol Res Inst, Tsukuba, Ibaraki, Japan. [Vidale, Pier Luigi] Univ Reading, Reading, Berks, England. [Jonas, Jeffrey A.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA. [Jonas, Jeffrey A.] Columbia Univ, New York, NY USA. RP Walsh, KJE (reprint author), Univ Melbourne, Sch Earth Sci, Parkville, Vic 3010, Australia. EM kevin.walsh@unimelb.edu.au RI Vecchi, Gabriel/A-2413-2008; Camargo, Suzana/C-6106-2009; Reed, Kevin/C-4466-2012; Murakami, Hiroyuki/L-5745-2015; Zarzycki, Colin/E-5691-2014; Zhao, Ming/C-6928-2014; Jablonowski, Christiane/I-9068-2012; Kossin, James/C-2022-2016; Chang, Ping /A-1642-2013; Villarini, Gabriele/F-8069-2016; Sobel, Adam/K-4014-2015; Patricola, Christina/L-9902-2016; OI Vecchi, Gabriel/0000-0002-5085-224X; Camargo, Suzana/0000-0002-0802-5160; Reed, Kevin/0000-0003-3741-7080; Jablonowski, Christiane/0000-0003-0407-0092; Kossin, James/0000-0003-0461-9794; Chang, Ping /0000-0002-9085-0759; Villarini, Gabriele/0000-0001-9566-2370; Sobel, Adam/0000-0003-3602-0567; Patricola, Christina/0000-0002-3387-0307; Strazzo, Sarah/0000-0003-1332-3135; Vidale, Pier Luigi/0000-0002-1800-8460; Walsh, Kevin/0000-0002-1860-510X FU NASA; NOAA; NSF; DOE; ARC Centre of Excellence for Climate System Science [CE110001028]; U.S. DOE [DE-SC0006824, DE-SC0006684, DE-SC0004966]; NOAA [NA11OAR4310154, NA11OAR4310092]; NSF AGS [1143959]; NASA [NNX09AK34G]; Italian Ministry of Education, Universities and Research; Italian Ministry of Environment, Land and Sea under the GEMINA project; Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan FX We wish to take this opportunity to recognize the essential contributions from participating modeling groups (U.S. DOE-NCAR CAM5.1, CMCC ECHAM5, CNRM, FSU COAPS, NOAA GFDL HiRAM, NASA GISS-Columbia University, NASA GSFC GEOS-5, Hadley Centre HadGEM3, JAMSTEC NICAM, MRI CGCM3, NCEP GFS, and WRF) that ran model experiments and furnished their data for analysis. We also appreciate the contributions of NOAA GFDL for hosting the meeting that led to this paper, the U.S. CLIVAR Project Office and UCAR JOSS for logistics support, and the U.S. CLIVAR funding agencies-NASA, NOAA, NSF, and DOE for their sponsorship. The Texas Advanced Computing Center (TACC) at The University of Texas at Austin and the Texas A&M Supercomputing Facility provided supercomputing resources used to perform portions of the simulations described in this paper. Portions of the work described in this paper were funded in part by the ARC Centre of Excellence for Climate System Science (Grant CE110001028); the U.S. DOE Grants DE-SC0006824, DE-SC0006684, and DE-SC0004966; the NOAA Grants NA11OAR4310154 and NA11OAR4310092; NSF AGS 1143959; and NASA Grant NNX09AK34G. E. Scoccimarro received funding from the Italian Ministry of Education, Universities and Research and the Italian Ministry of Environment, Land and Sea under the GEMINA project. The numerical experiments for NICAM and MRI-AGCM were performed on the Earth Simulator of JAMSTEC under the framework of the KAKUSHIN project funded by the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan. NR 126 TC 33 Z9 33 U1 6 U2 31 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0003-0007 EI 1520-0477 J9 B AM METEOROL SOC JI Bull. Amer. Meteorol. Soc. PD JUN PY 2015 VL 96 IS 6 BP 997 EP 1017 DI 10.1175/BAMS-D-13-00242.1 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CN1XE UT WOS:000358213200002 ER PT J AU Rauser, F Gleckler, P Marotzke, J AF Rauser, Florian Gleckler, Peter Marotzke, Jochem TI Rethinking the Default Construction of Multimodel Climate Ensembles SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Article ID SENSITIVITY; MODEL; CMIP5; SYSTEM AB We discuss the current code of practice in the climate sciences to routinely create climate model ensembles as ensembles of opportunity from the newest phase of the Coupled Model Intercomparison Project (CMIP). We give a two-step argument to rethink this process. First, the differences between generations of ensembles corresponding to different CMIP phases in key climate quantities are not large enough to warrant an automatic separation into generational ensembles for CMIP3 and CMIP5. Second, we suggest that climate model ensembles cannot continue to be mere ensembles of opportunity but should always be based on a transparent scientific decision process. If ensembles can be constrained by observation, then they should be constructed as target ensembles that are specifically tailored to a physical question. If model ensembles cannot be constrained by observation, then they should be constructed as cross-generational ensembles, including all available model data to enhance structural model diversity and to better sample the underlying uncertainties. To facilitate this, CMIP should guide the necessarily ongoing process of updating experimental protocols for the evaluation and documentation of coupled models. With an emphasis on easy access to model data and facilitating the filtering of climate model data across all CMIP generations and experiments, our community could return to the underlying idea of using model data ensembles to improve uncertainty quantification, evaluation, and cross-institutional exchange. C1 [Rauser, Florian; Marotzke, Jochem] Max Planck Inst Meteorol, D-22089 Hamburg, Germany. [Gleckler, Peter] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Rauser, F (reprint author), Max Planck Inst Meteorol, Atmosphere Earth Syst, Bundesstr 53, D-22089 Hamburg, Germany. EM florian.rauser@zmaw.de FU German ministry for research and education (BMBF) [FKZ 01LG1005C]; Max Planck Society; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; U.S. Department of Energy, Office of Science, Climate and Environmental Sciences Division, Regional and Global Climate Modeling Program FX We acknowledge funding from the German ministry for research and education (BMBF, FKZ 01LG1005C) and the Max Planck Society. Part of this work was performed by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, with funding from the U.S. Department of Energy, Office of Science, Climate and Environmental Sciences Division, Regional and Global Climate Modeling Program. We acknowledge all modeling centers, the WCRP's Working Group on Coupled Modelling (WGCM), and the partners of the Earth System Grid (ESG) for their roles in making available the WCRP CMIP3 and CMIP5 multimodel dataset. We also thank the three reviewers who have provided us with many suggestions and helped us a lot in refining the points that we wanted to make in this article. NR 24 TC 4 Z9 4 U1 1 U2 13 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0003-0007 EI 1520-0477 J9 B AM METEOROL SOC JI Bull. Amer. Meteorol. Soc. PD JUN PY 2015 VL 96 IS 6 DI 10.1175/BAMS-D-13-00181.1 PG 10 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CN1WT UT WOS:000358212100001 ER PT J AU Li, Y Xu, B Hu, SY Li, YL Li, QL Liu, W AF Li Yi Xu Ben Hu Shen-Yang Li Yu-Lan Li Qiu-Lin Liu Wei TI Magnetization Reversal Process of Single Crystal alpha-Fe Containing a Nonmagnetic Particle SO CHINESE PHYSICS LETTERS LA English DT Article ID PRESSURE-VESSEL STEEL; NEUTRON-IRRADIATION; CR ALLOYS; EMBRITTLEMENT; MICROSTRUCTURE; 400-DEGREES-C; DPA AB The magnetization reversal process and hysteresis loops in a single crystal alpha-iron with nonmagnetic particles are simulated in this work based on the Landau-Lifshitz-Gilbert equation. The evolutions of the magnetic domain morphology are studied, and our analyses show that the magnetization reversal process is affected by the interaction between the moving domain wall and the existing nonmagnetic particles. This interaction strongly depends on the size of the particles, and it is found that particles with a particular size contribute the most to magnetic hardening. C1 [Li Yi; Xu Ben; Li Qiu-Lin; Liu Wei] Tsinghua Univ, Sch Mat Sci & Engn, Beijing 100084, Peoples R China. [Hu Shen-Yang; Li Yu-Lan] Pacific NW Natl Lab, Richland, WA 99352 USA. [Li Yi; Li Qiu-Lin; Liu Wei] Tsinghua Univ, Grad Sch Shenzhen, Shenzhen 518055, Peoples R China. RP Liu, W (reprint author), Tsinghua Univ, Sch Mat Sci & Engn, Beijing 100084, Peoples R China. EM liuw@mail.tsinghua.edu.cn NR 18 TC 0 Z9 0 U1 1 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0256-307X EI 1741-3540 J9 CHINESE PHYS LETT JI Chin. Phys. Lett. PD JUN PY 2015 VL 32 IS 6 AR 067502 DI 10.1088/0256-307X/32/6/067502 PG 4 WC Physics, Multidisciplinary SC Physics GA CN7EP UT WOS:000358597200038 ER PT J AU Yi, HM Chen, CY Sun, X Xie, ZJ Feng, Y Liang, AJ Peng, YY He, SL Zhao, L Liu, GD Dong, XL Zhang, J Chen, CT Xu, ZY Gu, GD Zhou, XJ AF Yi He-Mian Chen Chao-Yu Sun Xuan Xie Zhuo-Jin Feng Ya Liang Ai-Ji Peng Ying-Ying He Shao-Long Zhao Lin Liu Guo-Dong Dong Xiao-Li Zhang Jun Chen Chuang-Tian Xu Zu-Yan Gu Gen-Da Zhou Xing-Jiang TI Electronic Structure, Irreversibility Line and Magnetoresistance of Cu0.3Bi2Se3 Superconductor SO CHINESE PHYSICS LETTERS LA English DT Article ID TOPOLOGICAL CRYSTALLINE INSULATOR; HGTE QUANTUM-WELLS; SINGLE DIRAC CONE; PHASE-TRANSITION; SPIN; STATES; SURFACE; TEMPERATURE; ORDER; FIELD AB CuxBi2Se3 is a superconductor that is a potential candidate for topological superconductors. We report our laser-based angle-resolved photoemission measurement on the electronic structure of the CuxBi2Se3 superconductor, and a detailed magneto-resistance measurement in both normal and superconducting states. We find that the topological surface state of the pristine Bi2Se3 topological insulator remains robust after the Cu-intercalation, while the Dirac cone location moves downward due to electron doping. Detailed measurements on the magnetic field-dependence of the resistance in the superconducting state establishes an irreversibility line and gives a value of the upper critical field at zero temperature of similar to 4000 Oe for the Cu0.3Bi2Se3 superconductor with a middle point T-c of 1.9 K. The relation between the upper critical field H-c2 and temperature T is different from the usual scaling relation found in cuprates and in other kinds of superconductors. Small positive magneto-resistance is observed in Cu0.3Bi2Se3 superconductors up to room temperature. These observations provide useful information for further study of this possible candidate for topological superconductors. C1 [Yi He-Mian; Chen Chao-Yu; Sun Xuan; Xie Zhuo-Jin; Feng Ya; Liang Ai-Ji; Peng Ying-Ying; He Shao-Long; Zhao Lin; Liu Guo-Dong; Dong Xiao-Li; Zhang Jun; Zhou Xing-Jiang] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Chen Chuang-Tian; Xu Zu-Yan] Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100190, Peoples R China. [Gu Gen-Da] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Zhou Xing-Jiang] Collaborat Innovat Ctr Quantum Matter, Beijing 100871, Peoples R China. RP Zhou, XJ (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. EM XJZhou@aphy.iphy.ac.cn RI peng, yingying/K-1805-2015; xu, zhijun/A-3264-2013; Feng, Ya/B-3868-2017 OI peng, yingying/0000-0002-2657-3590; xu, zhijun/0000-0001-7486-2015; FU National Natural Science Foundation of China [11190022, 91021006, 11374338]; National Basic Research Program of China [2011CB921703, 2011CBA00110, 2013CB921700]; Strategic Priority Research Program(B) of the Chinese Academy of Sciences [XDB07020300] FX Supported by the National Natural Science Foundation of China under Grant Nos 11190022, 91021006 and 11374338, the National Basic Research Program of China under Grant Nos 2011CB921703, 2011CBA00110 and 2013CB921700, and the Strategic Priority Research Program(B) of the Chinese Academy of Sciences under Grant No XDB07020300. NR 53 TC 0 Z9 0 U1 3 U2 34 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0256-307X EI 1741-3540 J9 CHINESE PHYS LETT JI Chin. Phys. Lett. PD JUN PY 2015 VL 32 IS 6 AR 067401 DI 10.1088/0256-307X/32/6/067401 PG 5 WC Physics, Multidisciplinary SC Physics GA CN7EP UT WOS:000358597200035 ER PT J AU Liu, S Wang, B Thiagarajan, JJ Bremer, PT Pascucci, V AF Liu, S. Wang, B. Thiagarajan, J. J. Bremer, P. -T. Pascucci, V. TI Visual Exploration of High-Dimensional Data through Subspace Analysis and Dynamic Projections SO COMPUTER GRAPHICS FORUM LA English DT Article ID DATA VISUALIZATION; FRAMEWORK; REDUCTION AB We introduce a novel interactive framework for visualizing and exploring high-dimensional datasets based on subspace analysis and dynamic projections. We assume the high-dimensional dataset can be represented by a mixture of low-dimensional linear subspaces with mixed dimensions, and provide a method to reliably estimate the intrinsic dimension and linear basis of each subspace extracted from the subspace clustering. Subsequently, we use these bases to define unique 2D linear projections as viewpoints from which to visualize the data. To understand the relationships among the different projections and to discover hidden patterns, we connect these projections through dynamic projections that create smooth animated transitions between pairs of projections. We introduce the view transition graph, which provides flexible navigation among these projections to facilitate an intuitive exploration. Finally, we provide detailed comparisons with related systems, and use real-world examples to demonstrate the novelty and usability of our proposed framework. C1 [Liu, S.; Wang, B.; Pascucci, V.] Univ Utah, Sci Comp & Imaging Inst, Salt Lake City, UT 84112 USA. [Thiagarajan, J. J.; Bremer, P. -T.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Liu, S (reprint author), Univ Utah, Sci Comp & Imaging Inst, Salt Lake City, UT 84112 USA. FU US DOE by LLNL [DE-AC52-07NA27344, LLNL-CONF-658933]; NSF [0904631]; NSG [IIS-1045032]; NSF EFT [ACI-0906379]; DOE/NEUP [120341]; DOE/Codesign [P01180734]; [DE-EE0004449]; [DE-NA0002375]; [DE-SC0007446]; [DE-SC0010498] FX This work was performed in part under the auspices of the US DOE by LLNL under Contract DE-AC52-07NA27344., LLNL-CONF-658933. This work is also supported in part by NSF 0904631, DE-EE0004449, DE-NA0002375, DE-SC0007446, DE-SC0010498, NSG IIS-1045032, NSF EFT ACI-0906379, DOE/NEUP 120341, DOE/Codesign P01180734. NR 37 TC 2 Z9 2 U1 0 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0167-7055 EI 1467-8659 J9 COMPUT GRAPH FORUM JI Comput. Graph. Forum PD JUN PY 2015 VL 34 IS 3 BP 271 EP 280 DI 10.1111/cgf.12639 PG 10 WC Computer Science, Software Engineering SC Computer Science GA CN3LP UT WOS:000358328200030 ER PT J AU Dasgupta, A Kosara, R Gosink, L AF Dasgupta, A. Kosara, R. Gosink, L. TI VIMTEX: A Visualization Interface for Multivariate, Time-Varying, Geological Data Exploration SO COMPUTER GRAPHICS FORUM LA English DT Article ID PARALLEL; BIOREMEDIATION; SCATTERPLOTS; PATTERNS AB Observing interactions among chemical species and microorganisms in the earth's sub-surface is a common task in the field of geology. Bioremediation experiments constitute one such class of interactions which focus on getting rid of pollutants through processes such as carbon sequestration. The main goal of scientists' observations is to analyze the dynamics of the chemical reactions and understand how they collectively affect the carbon content of the soil. In our work, we extract the high-level goals of geologists and propose a visual analytics solution which helps scientists in deriving insights about multivariate, temporal behavior of these chemical species. Specifically, our key contributions are the following: i) characterization of the domain-specific goals and their translation to exploratory data analysis tasks, ii) developing an analytical abstraction in the form of perceptually motivated screen-space metrics for bridging the gap between the tasks and the visualization, and iii) realization of the tasks and metrics in the form of VIMTEX, which is a set of coordinated multiple views for letting scientists observe multivariate, temporal relationships in the data. We provide several examples and case studies along with expert feedback for demonstrating the efficacy of our solution. C1 [Dasgupta, A.] NYU, New York, NY 10003 USA. [Kosara, R.] Tableau Software, Seattle, WA USA. [Gosink, L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Dasgupta, A (reprint author), NYU, New York, NY 10003 USA. NR 30 TC 1 Z9 1 U1 0 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0167-7055 EI 1467-8659 J9 COMPUT GRAPH FORUM JI Comput. Graph. Forum PD JUN PY 2015 VL 34 IS 3 BP 341 EP 350 DI 10.1111/cgf.12646 PG 10 WC Computer Science, Software Engineering SC Computer Science GA CN3LP UT WOS:000358328200037 ER PT J AU Hughes, MS McCarthy, JE Bruillard, PJ Marsh, JN Wickline, SA AF Hughes, Michael S. McCarthy, John E. Bruillard, Paul J. Marsh, Jon N. Wickline, Samuel A. TI Entropy vs. Energy Waveform Processing: A Comparison Based on the Heat Equation SO ENTROPY LA English DT Article DE information wave; optimal detection; entropy image; joint entropy ID CONTRAST-TARGETED TISSUE; THERMODYNAMIC ANALOGS; SHANNON ENTROPY; RENYI ENTROPY; ULTRASONIC-DETECTION; SIGNAL RECEIVER; LIMITING FORM; REAL-TIME; IN-VIVO; TUMORS AB Virtually all modern imaging devices collect electromagnetic or acoustic waves and use the energy carried by these waves to determine pixel values to create what is basically an energy picture. However, waves also carry information, as quantified by some form of entropy, and this may also be used to produce an information image. Numerous published studies have demonstrated the advantages of entropy, or information imaging, over conventional methods. The most sensitive information measure appears to be the joint entropy of the collected wave and a reference signal. The sensitivity of repeated experimental observations of a slowly-changing quantity may be defined as the mean variation (i.e., observed change) divided by mean variance (i.e., noise). Wiener integration permits computation of the required mean values and variances as solutions to the heat equation, permitting estimation of their relative magnitudes. There always exists a reference, such that joint entropy has larger variation and smaller variance than the corresponding quantities for signal energy, matching observations of several studies. Moreover, a general prescription for finding an optimal reference for the joint entropy emerges, which also has been validated in several studies. C1 [Hughes, Michael S.; Bruillard, Paul J.] Pacific NW Natl Lab, Richland, WA 99354 USA. [McCarthy, John E.] Washington Univ, Dept Math, St Louis, MO 63130 USA. [Marsh, Jon N.; Wickline, Samuel A.] Washington Univ, Sch Med, St Louis, MO 63110 USA. RP Hughes, MS (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. EM michael.s.hughes@pnnl.gov; mccarthy@wustl.edu; paul.bruillard@pnnl.gov; jnm@cvu.wustl.edu; wicklines@aol.com FU NIH [EB002168, 5R21EB018095]; NSF [DMS1300280] FX This study was funded by NIH EB002168, 5R21EB018095 and NSF DMS1300280. The research was carried out at the Washington University Department of Mathematics and the School of Medicine. NR 47 TC 2 Z9 2 U1 2 U2 7 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1099-4300 J9 ENTROPY-SWITZ JI Entropy PD JUN PY 2015 VL 17 IS 6 BP 3518 EP 3551 DI 10.3390/e17063518 PG 34 WC Physics, Multidisciplinary SC Physics GA CM6MO UT WOS:000357803000001 PM 27110093 ER PT J AU Holt, B Johnson, MP Perkovic-Martin, D Panzer, B AF Holt, Benjamin Johnson, Michael P. Perkovic-Martin, Dragana Panzer, Ben TI Snow depth on Arctic sea ice derived from radar: In situ comparisons and time series analysis SO JOURNAL OF GEOPHYSICAL RESEARCH-OCEANS LA English DT Article DE snow on sea Ice ID ULTRA-WIDE-BAND; THICKNESS; VARIABILITY; OCEAN AB The snow radar being flown on NASA's Operation IceBridge, ongoing aircraft campaigns to the Arctic and the Antarctic are providing unique observations of the depth of snow on the sea ice cover. In this paper, we focus on the radar-derived snow depth results from the 2009-2012 Arctic campaigns. We develop and evaluate the use of a distinct snow layer tracker to measure snow depth based on a Support Vector Machine (SVM) supervised learning algorithm. The snow radar is designed to detect both the air-snow and snow-ice interfaces using ultrawideband frequencies from 2 to 8 GHz. The quality, errors, and repeatability of the snow radar snow depth estimates are examined, based on comparisons with in situ data obtained during two separate sea ice field campaigns, the GreenArc 2009 and the CryoVEx 2011 campaigns off Greenland in the Lincoln Sea. Finally, we analyze 4 years (2009-2012) of three annually repeated sea ice flight lines obtained in early spring, located off Greenland and the Canadian Arctic. We examine the annual variations of snow depth differences between perennial and seasonal ice when available. Overall, the snow layer tracker produced consistent, accurate results for snow depths between 0.10 and approximate to 0.60 m. This was confirmed with comparisons with the two data sets from the in situ measurement campaigns as well as with the time series analysis, and is consistent with other published results. C1 [Holt, Benjamin; Johnson, Michael P.; Perkovic-Martin, Dragana] CALTECH, Jet Prop Lab, Pasadena, CA 91125 USA. [Panzer, Ben] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Holt, B (reprint author), CALTECH, Jet Prop Lab, Pasadena, CA 91125 USA. EM Benjamin.M.Holt@jpl.nasa.gov FU National Aeronautics and Space Administration FX This work was performed at the Jet Propulsion Laboratory, California Institute of Technology, and at Kansas University, under contract with the National Aeronautics and Space Administration. Ben Panzer performed this work while at the University of Kansas. The authors wish to thank the following for valuable discussions: Christian Haas (York University) regarding the CryoVEx field measurements, Ron Kwok (JPL), and Prasad Gogineni and Carl Leuschen (University of Kansas). We also wish to thank Jackie Richter-Menge and Bruce Elder (CRREL) as well as Sinead Farrell (University of Maryland) for providing the GreenArc 2009 data. The snow radar raw data utilized for this study were produced by CReSIS and made available, along with the ATM, CAMBOT, and DMS imagery through the National Snow and Ice Data Center IceBridge data portal (http://nsidc.org/icebridge/portal/). To identify snow depths for different sea ice types, we utilized derived sea ice type output data available from the EUMETSAT Ocean and Sea Ice Processing Centre (http://saf.met.no/p/ice/#type). NR 43 TC 3 Z9 3 U1 2 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9275 EI 2169-9291 J9 J GEOPHYS RES-OCEANS JI J. Geophys. Res.-Oceans PD JUN PY 2015 VL 120 IS 6 BP 4260 EP 4287 DI 10.1002/2015JC010815 PG 28 WC Oceanography SC Oceanography GA CN0SP UT WOS:000358124100021 ER PT J AU Boardsen, SA Kim, EH Raines, JM Slavin, JA Gershman, DJ Anderson, BJ Korth, H Sundberg, T Schriver, D Travnicek, P AF Boardsen, S. A. Kim, E. -H. Raines, J. M. Slavin, J. A. Gershman, D. J. Anderson, B. J. Korth, H. Sundberg, T. Schriver, D. Travnicek, P. TI Interpreting similar to 1Hz magnetic compressional waves in Mercury's inner magnetosphere in terms of propagating ion-Bernstein waves SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE ion-Bernstein mode; ray tracing; Mercury's magnetosphere; planetary loss cone instability ID MESSENGERS 1ST FLYBY; ULF WAVES; CYCLOTRON WAVES; PLASMA SHEET; FIELD; DISTRIBUTIONS; GENERATION; FREQUENCY; MAGNETOMETER; ABSORPTION AB We show that similar to 1Hz magnetic compressional waves observed in Mercury's inner magnetosphere could be interpreted as ion-Bernstein waves in a moderate proton beta similar to 0.1 plasma. An observation of a proton distribution with a large planetary loss cone is presented, and we show that this type of distribution is highly unstable to the generation of ion-Bernstein waves with low magnetic compression. Ray tracing shows that as these waves propagate back and forth about the magnetic equator; they cycle between a state of low and high magnetic compression. The group velocity decreases during the high-compression state leading to a pileup of compressional wave energy, which could explain the observed dominance of the highly compressional waves. This bimodal nature is due to the complexity of the index of refraction surface in a warm plasma whose upper branch has high growth rate with low compression, and its lower branch has low growth/damping rate with strong compression. Two different cycles are found: one where the compression maximum occurs at the magnetic equator and one where the compression maximum straddles the magnetic equator. The later cycle could explain observations where the maximum in compression straddles the equator. Ray tracing shows that this mode is confined within 12 degrees magnetic latitude which can account for the bulk of the observations. We show that the Doppler shift can account for the difference between the observed and model wave frequency, if the wave vector direction is in opposition to the plasma flow direction. We note that the Wentzel-Kramers-Brillouin approximation breaks down during the pileup of compressional energy and that a study involving full wave solutions is required. C1 [Boardsen, S. A.] Univ Maryland Baltimore Cty, Goddard Planetary Heliophys Inst, Baltimore, MD 21228 USA. [Boardsen, S. A.] NASA Goddard Space Flight Ctr, Heliophys Sci Div, Greenbelt, MD USA. [Kim, E. -H.] Princeton Univ, Princeton Ctr Heliophys, Princeton, NJ 08544 USA. [Kim, E. -H.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Raines, J. M.; Slavin, J. A.; Gershman, D. J.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Gershman, D. J.] NASA Goddard Space Flight Ctr, Geospace Phys Lab, Greenbelt, MD USA. [Anderson, B. J.; Korth, H.] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD USA. [Sundberg, T.] Queen Mary Univ London, Sch Phys & Astron, London, England. [Schriver, D.] Univ Calif Los Angeles, Dept Phys, Los Angeles, CA 90024 USA. [Travnicek, P.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. RP Boardsen, SA (reprint author), Univ Maryland Baltimore Cty, Goddard Planetary Heliophys Inst, Baltimore, MD 21228 USA. EM Scott.A.Boardsen@nasa.gov RI Travnicek, Pavel/G-8608-2014; Slavin, James/H-3170-2012 OI Slavin, James/0000-0002-9206-724X FU NASA Planetary Data Analysis Program [NNX10AU26G]; Geoscience [NNX08AJ78G]; NASA [NNH09AK63I, NNH11AQ46I]; DOE [DEAC02-09CH11466]; NASA Discovery Program [NAS5-97271]; NASA Heliophysics Supporting Research Program [NNX15AJ68G] FX We thank K. Ronnmark at Umea University in Sweden for providing us with the warm plasma instability code WHAMP and the warm plasma ray tracing code RATRACE. The data used in this study are publicly available at the Planetary Data System (http://pds.nasa.gov/). This research was supported by NASA Planetary Data Analysis Program grant NNX10AU26G and Geoscience grant NNX08AJ78G. The work at the Princeton University was supported by NASA grants NNH09AK63I and NNH11AQ46I, and DOE contract DEAC02-09CH11466. The MESSENGER project is supported by the NASA Discovery Program under contracts NAS5-97271 to the Johns Hopkins University Applied Physics Laboratory. This work was also supported by the NASA Heliophysics Supporting Research Program under grant NNX15AJ68G. NR 55 TC 5 Z9 5 U1 0 U2 5 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD JUN PY 2015 VL 120 IS 6 BP 4213 EP 4228 DI 10.1002/2014JA020910 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CN1RZ UT WOS:000358199100010 ER PT J AU Malaspina, DM Wygant, JR Ergun, RE Reeves, GD Skoug, RM Larsen, BA AF Malaspina, David M. Wygant, John R. Ergun, Robert E. Reeves, Geoff D. Skoug, Ruth M. Larsen, Brian A. TI Electric field structures and waves at plasma boundaries in the inner magnetosphere SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE inner magnetosphere; plasma boundary; injection; plasma sheet; nonlinear electric field structures ID THEMIS; SHEET; ACCELERATION; INSTRUMENT; INJECTIONS; ORBIT AB Recent observations by the Van Allen Probes spacecraft have demonstrated that a variety of electric field structures and nonlinear waves frequently occur in the inner terrestrial magnetosphere, including phase space holes, kinetic field line resonances, nonlinear whistler mode waves, and several types of double layer. However, it is unclear whether such structures and waves have a significant impact on the dynamics of the inner magnetosphere, including the radiation belts and ring current. To make progress toward quantifying their importance, this study statistically evaluates the correlation of such structures and waves with plasma boundaries. A strong correlation is found. These statistical results, combined with observations of electric field activity at propagating plasma boundaries, are consistent with the scenario that the sources of the free energy for the structures and waves of interest are localized near and comove with these boundaries. Therefore, the ability of these structures and waves to influence plasma in the inner magnetosphere is governed in part by the spatial extent and dynamics of macroscopic plasma boundaries in that region. C1 [Malaspina, David M.; Ergun, Robert E.] Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80309 USA. [Wygant, John R.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Ergun, Robert E.] Univ Colorado, Dept Astrophys & Planetary Sci, Boulder, CO 80309 USA. [Reeves, Geoff D.; Skoug, Ruth M.; Larsen, Brian A.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Malaspina, DM (reprint author), Univ Colorado, Atmospher & Space Phys Lab, Campus Box 392, Boulder, CO 80309 USA. EM David.Malaspina@colorado.edu RI Reeves, Geoffrey/E-8101-2011 OI Reeves, Geoffrey/0000-0002-7985-8098 FU EFW; EMFISIS; ECT; NASA [NAS5-01072] FX The authors thank the Van Allen Probes team, especially the EFW, EMFISIS, and ECT teams, for their support. This work was funded by NASA award NAS5-01072. All data used in this work are available from the EFW, EMFISIS, and ECT teams (http://rbspgway.jhuapl.edu/data\_ instrumentationSOC). NR 40 TC 20 Z9 20 U1 1 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD JUN PY 2015 VL 120 IS 6 BP 4246 EP 4263 DI 10.1002/2015JA021137 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CN1RZ UT WOS:000358199100012 ER PT J AU Hwang, J Choi, EJ Park, JS Fok, MC Lee, DY Kim, KC Shin, DK Usanova, ME Reeves, GD AF Hwang, J. Choi, E. -J. Park, J. -S. Fok, M. -C. Lee, D. -Y. Kim, K. -C. Shin, D. -K. Usanova, M. E. Reeves, G. D. TI Comprehensive analysis of the flux dropout during 7-8 November 2008 storm using multisatellite observations and RBE model SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE flux dropout; RBE model; magneopause shadowing; atmospheric precipitation; geomagnetic storm; radiation belt ID OUTER RADIATION BELT; PITCH-ANGLE SCATTERING; ION-CYCLOTRON WAVES; ELECTRON ACCELERATION; INNER MAGNETOSPHERE; MAGNETIC STORMS; CHORUS WAVES; 30 SEPTEMBER; PHASE-SPACE; DIFFUSION AB We investigate an electron flux dropout during a weak storm on 7-8 November 2008, with Dst minimum value being - 37 nT. During this period, two clear dropouts were observed on GOES 11>2MeV electrons. We also find a simultaneous dropout in the subrelativistic electrons recorded by Time History of Events and Macroscale Interactions during Substorms probes in the outer radiation belt. Using the Radiation Belt Environment model, we try to reproduce the observed dropout features in both relativistic and subrelativistic electrons. We found that there are local time dependences in the dropout for both observation and simulation in subrelativistic electrons: ( 1) particle loss begins from nightside and propagates into dayside and (2) resupply starts from near dawn magnetic local time and propagates into the dayside following electron drift direction. That resupply of the particles might be caused by substorm injections due to enhanced convection. We found a significant precipitation in hundreds keV electrons during the dropout. We observe electromagnetic ion cyclotron and chorus waves both on the ground and in space. We find the drift shells are opened near the beginning of the first dropout. The dropout in MeV electrons at GEO might therefore be initiated due to the magnetopause shadowing, and the followed dropout in hundreds keV electrons might be the result of the combination of magnetopause shadowing and precipitation loss into the Earth's atmosphere. C1 [Hwang, J.; Kim, K. -C.] Korea Astron & Space Sci Inst, Taejon, South Korea. [Hwang, J.] Korea Univ Sci & Technol, Dept Astron & Space Sci, Taejon, South Korea. [Choi, E. -J.] Korea Adv Inst Sci & Technol, Dept Phys, Taejon 305701, South Korea. [Park, J. -S.] Kyung Hee Univ, Sch Space Res, Yongin, South Korea. [Fok, M. -C.] NASA GSFC, Greenbelt, MD USA. [Lee, D. -Y.; Shin, D. -K.] Chungbuk Natl Univ, Dept Astron & Space Sci, Cheongju, South Korea. [Usanova, M. E.] Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80309 USA. [Reeves, G. D.] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM USA. RP Hwang, J (reprint author), Korea Astron & Space Sci Inst, Taejon, South Korea. EM jahwang@kasi.re.kr OI Reeves, Geoffrey/0000-0002-7985-8098 FU Planetary system research for space exploration project; KASI; NSL [20110030742]; Canadian Space Agency; NASA [NAS5-02099] FX This work was supported by "Planetary system research for space exploration" project and the basic research funding from KASI. This work at Chungbuk National University was supported by an NSL grant (20110030742) of the National Research Foundation of Korea. We are thankful to the THEMIS team (http://themis.ssl.berkeley.edu/data_retrieval. index); NASA's CDAWeb ( http://cdaweb.gsfc.nasa.gov/), OMNI ( http://omniweb.gsfc.nasa.gov/); and NOAA's GOES (http://www.goes.noaa.gov/), POES (ftp://virbo.org/POES), NGDC http://www.ngdc.noaa.gov/ngdcinfo/onlineaccess.html),and LANL GEO data ( by personal contact to G.D. Reeves) for providing online data access and data analysis tools. The authors thank I.R. Mann, D.K. Milling, and the rest of the CARISMA team for the data. CARISMA is operated by the University of Alberta, funded by the Canadian Space Agency. We acknowledge NASA contract NAS5-02099 for the use of data from the THEMIS mission. NR 55 TC 3 Z9 3 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD JUN PY 2015 VL 120 IS 6 BP 4298 EP 4312 DI 10.1002/2015JA021085 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CN1RZ UT WOS:000358199100015 ER PT J AU Welling, DT Jordanova, VK Glocer, A Toth, G Liemohn, MW Weimer, DR AF Welling, D. T. Jordanova, V. K. Glocer, A. Toth, G. Liemohn, M. W. Weimer, D. R. TI The two-way relationship between ionospheric outflow and the ring current SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE magnetosphere; ring current; ionospheric outflow ID ALLEN PROBES OBSERVATIONS; SHEET ION COMPOSITION; FIELD-ALIGNED CURRENT; POLAR WIND; PLASMA SHEET; NEAR-EARTH; INNER MAGNETOSPHERE; MAGNETIC-FIELD; STORM-TIME; PROTON PRECIPITATION AB It is now well established that the ionosphere, because it acts as a significant source of plasma, plays a critical role in ring current dynamics. However, because the ring current deposits energy into the ionosphere, the inverse may also be true: the ring current can play a critical role in the dynamics of ionospheric outflow. This study uses a set of coupled, first-principles-based numerical models to test the dependence of ionospheric outflow on ring current-driven region 2 field-aligned currents (FACs). A moderate magnetospheric storm event is modeled with the Space Weather Modeling Framework using a global MHD code (Block Adaptive Tree Solar wind Roe-type Upwind Scheme, BATS-R-US), a polar wind model (Polar Wind Outflow Model), and a bounce-averaged kinetic ring current model (ring current atmosphere interaction model with self-consistent magnetic field, RAM-SCB). Initially, each code is two-way coupled to all others except for RAM-SCB, which receives inputs from the other models but is not allowed to feed back pressure into the MHD model. The simulation is repeated with pressure coupling activated, which drives strong pressure gradients and region 2 FACs in BATS-R-US. It is found that the region 2 FACs increase heavy ion outflow by up to 6 times over the noncoupled results. The additional outflow further energizes the ring current, establishing an ionosphere-magnetosphere mass feedback loop. This study further demonstrates that ionospheric outflow is not merely a plasma source for the magnetosphere but an integral part in the nonlinear ionosphere-magnetosphere-ring current system. C1 [Welling, D. T.; Toth, G.; Liemohn, M. W.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Jordanova, V. K.] Los Alamos Natl Lab, Los Alamos, NM USA. [Glocer, A.] NASA Goddard Space Flight Ctr, Greenbelt, MD USA. [Weimer, D. R.] Virginia Polytech Inst & State Univ, Bradley Dept Elect & Comp Engn, Ctr Space Sci & Engn Res, Blacksburg, VA 24061 USA. RP Welling, DT (reprint author), Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. EM dwelling@umich.edu RI Toth, Gabor/B-7977-2013; OI Toth, Gabor/0000-0002-5654-9823; Jordanova, Vania/0000-0003-0475-8743 FU NSF [AGS 1202984]; NASA [NNH13AV48I, NNH14AX90I, NNX11AO60G, NNX13AD69G]; Los Alamos National Laboratory Directed Research and Development (LDRD) Program FX The authors acknowledge the use of data from the ACE satellite MAG and SWEPAM instruments provided by NASA GSFC Space Physics Data Facility. Dst index was obtained via the World Data Center for Geomagnetism, Kyoto. This work was supported by NSF award AGS 1202984; NASA awards NNH13AV48I, NNH14AX90I, NNX11AO60G, and NNX13AD69G; and the Los Alamos National Laboratory Directed Research and Development (LDRD) Program. Models used in this study can be freely obtained from http://csem.engin.umich.edu; simulation data can be obtained by contacting the authors. NR 114 TC 6 Z9 6 U1 1 U2 10 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD JUN PY 2015 VL 120 IS 6 BP 4338 EP 4353 DI 10.1002/2015JA021231 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CN1RZ UT WOS:000358199100018 ER PT J AU Ni, BB Zou, ZY Gu, XD Zhou, C Thorne, RM Bortnik, J Shi, R Zhao, ZY Baker, DN Kanekal, SG Spence, HE Reeves, GD Li, XL AF Ni, Binbin Zou, Zhengyang Gu, Xudong Zhou, Chen Thorne, Richard M. Bortnik, Jacob Shi, Run Zhao, Zhengyu Baker, Daniel N. Kanekal, Shrikhanth G. Spence, Harlan E. Reeves, Geoffrey D. Li, Xinlin TI Variability of the pitch angle distribution of radiation belt ultrarelativistic electrons during and following intense geomagnetic storms: Van Allen Probes observations SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE radiation belt ultrarelativistic electrons; pitch angle distribution; decay time scales; geomagnetic storms; resonant wave-particle interactions ID MARCH 2013 STORM; RELATIVISTIC ELECTRONS; EMIC WAVES; STATISTICAL-ANALYSIS; RESONANT SCATTERING; MAGNETIC STORM; ACCELERATION; CHORUS; RING; SIMULATIONS AB Fifteen months of pitch angle resolved Van Allen Probes Relativistic Electron-Proton Telescope (REPT) measurements of differential electron flux are analyzed to investigate the characteristic variability of the pitch angle distribution of radiation belt ultrarelativistic (>2MeV) electrons during storm conditions and during the long-term poststorm decay. By modeling the ultrarelativistic electron pitch angle distribution as sin(n)alpha, where alpha is the equatorial pitch angle, we examine the spatiotemporal variations of the n value. The results show that, in general, n values increase with the level of geomagnetic activity. In principle, ultrarelativistic electrons respond to geomagnetic storms by becoming more peaked at 90 degrees pitch angle with n values of 2-3 as a supportive signature of chorus acceleration outside the plasmasphere. High n values also exist inside the plasmasphere, being localized adjacent to the plasmapause and exhibiting energy dependence, which suggests a significant contribution from electromagnetic ion cyclotron (EMIC) wave scattering. During quiet periods, n values generally evolve to become small, i.e., 0-1. The slow and long-term decays of the ultrarelativistic electrons after geomagnetic storms, while prominent, produce energy and L-shell-dependent decay time scales in association with the solar and geomagnetic activity and wave-particle interaction processes. At lower L shells inside the plasmasphere, the decay time scales tau(d) for electrons at REPT energies are generally larger, varying from tens of days to hundreds of days, which can be mainly attributed to the combined effect of hiss-induced pitch angle scattering and inward radial diffusion. As L shell increases to L similar to 3.5, a narrow region exists (with a width of similar to 0.5L), where the observed ultrarelativistic electrons decay fastest, possibly resulting from efficient EMIC wave scattering. As L shell continues to increase, tau(d) generally becomes larger again, indicating an overall slower loss process by waves at high L shells. Our investigation based upon the sin(n)alpha function fitting and the estimate of decay time scale offers a convenient and useful means to evaluate the underlying physical processes that play a role in driving the acceleration and loss of ultrarelativistic electrons and to assess their relative contributions. C1 [Ni, Binbin; Zou, Zhengyang; Gu, Xudong; Zhou, Chen; Shi, Run; Zhao, Zhengyu] Wuhan Univ, Sch Elect Informat, Dept Space Phys, Wuhan 430072, Peoples R China. [Ni, Binbin] Chinese Acad Sci, State Key Lab Space Weather, Beijing, Peoples R China. [Thorne, Richard M.; Bortnik, Jacob] Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA USA. [Baker, Daniel N.; Li, Xinlin] Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80309 USA. [Kanekal, Shrikhanth G.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Spence, Harlan E.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. [Reeves, Geoffrey D.] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM USA. RP Ni, BB (reprint author), Wuhan Univ, Sch Elect Informat, Dept Space Phys, Wuhan 430072, Peoples R China. EM bbni@whu.edu.cn RI Reeves, Geoffrey/E-8101-2011; OI Reeves, Geoffrey/0000-0002-7985-8098; zou, zhengyang/0000-0003-1273-4573 FU NSFC [41204120, 41474141]; Fundamental Research Funds for the Central Universities [2042014kf0251]; Specialized Research Fund for State Key Laboratories; JHU/APL under NASA [967399, 921647, NAS5-01072]; ECT sub-award [13-041]; NASA [NNX11AR64G] FX This work was supported by the NSFC grants 41204120 and 41474141, the Fundamental Research Funds for the Central Universities grant 2042014kf0251, and the Project Supported by the Specialized Research Fund for State Key Laboratories. This work was also supported by JHU/APL contracts 967399 and 921647 under NASA's prime contract NAS5-01072. The analysis at UCLA was supported by the ECT sub-award 13-041 and NASA grant NNX11AR64G. Van Allen Probes REPT data were obtained from http://www.rbsp-ect.lanl.gov/science/DataDirectories.php. NR 48 TC 8 Z9 9 U1 0 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD JUN PY 2015 VL 120 IS 6 BP 4863 EP 4876 DI 10.1002/2015JA021065 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CN1RZ UT WOS:000358199100058 ER PT J AU Chakrabarty, D Rout, D Sekar, R Narayanan, R Reeves, GD Pant, TK Veenadhari, B Shiokawa, K AF Chakrabarty, D. Rout, Diptiranjan Sekar, R. Narayanan, R. Reeves, G. D. Pant, Tarun K. Veenadhari, B. Shiokawa, K. TI Three different types of electric field disturbances affecting equatorial ionosphere during a long-duration prompt penetration event SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE storm-substorm relationship; 630; 0nm airglow; equatorial ionosphere; prompt penetration; substorm; pseudo-breakup ID SPREAD-F; MAGNETOSPHERIC SUBSTORMS; SUDDEN COMMENCEMENT; NUMERICAL-ANALYSIS; PARTICLE; EXPANSION; REGION; MODEL; ONSET; PSEUDOBREAKUP AB Coordinated digisonde and OI 630.0nm airglow observations from Thumba (TVM), an Indian dip equatorial station, in conjunction with magnetic and geosynchronous particle flux measurements, reveal three different types of electric field disturbances in the equatorial ionosphere-thermosphere system (ITS) occurring in succession over a period of 6h on a single night (22-23 January,2012; A(p) = 24). These include (1) westward electric field perturbations owing to a pseudo-breakup and a substorm event, each lasting for about 30min; (2) eastward electric field perturbations continuing for about an hour, owing to the southward excursion of Z component of interplanetary magnetic field (B-z); and (3) DP2-type fluctuating (period approximate to 40min) electric field perturbation sustaining for about 4h. The pseudo-breakup and the fully grown substorm events are found to be longitudinally localized and different in terms of response in the westward auroral electrojet index (AL) as well as geosynchronous electron/proton injections. The polarity of the prompt penetration of interplanetary electric field that affects the equatorial ionosphere is observed to be eastward during 2100-2200 IST (Indian Standard Time) which is observationally sparse but consistent with modeling studies. Interestingly, on the same night, DP2-type electric field fluctuations with approximate to 40min periodicity and occasional eastward polarity (akin to daytime) are also found to affect the equatorial ITS for about 4h (2200-0200 IST). The case study, thus, brings out different processes that constitute a long duration prompt penetration event which, otherwise, would have been categorized as a single event. C1 [Chakrabarty, D.; Rout, Diptiranjan; Sekar, R.; Narayanan, R.] Phys Res Lab, Ahmadabad 380009, Gujarat, India. [Reeves, G. D.] Los Alamos Natl Lab, Los Alamos, NM USA. [Pant, Tarun K.] VSSC, Space Phys Lab, Trivandrum, Kerala, India. [Veenadhari, B.] Indian Inst Geomagnetism, Navi Mumbai, India. [Shiokawa, K.] Nagoya Univ, STEL, Nagoya, Aichi 4648601, Japan. RP Chakrabarty, D (reprint author), Phys Res Lab, Ahmadabad 380009, Gujarat, India. EM dipu@prl.res.in OI Reeves, Geoffrey/0000-0002-7985-8098 FU Department of Space, Government of India FX This work is supported by the Department of Space, Government of India. The digisonde data used in this work are provided by Space Physics Laboratory, Vikram Sarabhai Space Center, Trivandrum, India. The Indian and Japanese magnetic data used in this work are provided by Indian Institute of Geomagnetism, Navi Mumbai, India, and Solar Terrestrial Environment Laboratory, Nagoya University, Japan, respectively. The geosynchronous particle injection data are provided by Los Alamos National Laboratory, New Mexico, USA. The geomagnetic indices and solar wind data are downloaded from NASA GSFC CDAWeb (http://cdaweb.gsfc.nasa.gov/istp_public/). The 630.0 nm airglow intensity data can be made available upon request for further evaluation and research. NR 45 TC 4 Z9 4 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD JUN PY 2015 VL 120 IS 6 BP 4993 EP 5008 DI 10.1002/2014JA020759 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CN1RZ UT WOS:000358199100066 ER PT J AU Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Bergauer, T Dragicevic, M Ero, J Friedl, M Fruehwirth, 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 Treberer-Treberspurg, W Waltenberger, W Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Alderweireldt, S Bansal, S Cornelis, T De Wolf, EA Janssen, X Knutsson, A Lauwers, J Luyckx, S Ochesanu, S Rougny, R Van De Klundert, M Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Blekman, F Blyweert, S D'Hondt, J Daci, N Heracleous, N Keaveney, J Lowette, S Maes, M Olbrechts, A Python, Q Strom, D Tavernier, S Van Doninck, W Van Mulders, P Van Onsem, GP Villella, I Caillol, C Clerbaux, B De Lentdecker, G Dobur, D Favart, L Gay, APR Grebenyuk, A Leonard, A Mohammadi, A Pernie, L Randle-conde, A Reis, T Seva, T Thomas, L Vander Velde, C Vanlaer, P Wang, J Zenoni, F Adler, V Beernaert, K Benucci, L Cimmino, A Costantini, S Crucy, S Fagot, A Garcia, G Mccartin, J Rios, AAO Poyraz, D Ryckbosch, D Diblen, SS Sigamani, M Strobbe, N Thyssen, F Tytgat, M 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 Jafari, A Jez, P Komm, M Lemaitre, V Nuttens, C Pagano, D Perrini, L Pin, A Piotrzkowski, K Popov, A Quertenmont, L Selvaggi, M Marono, MV Garcia, JMV Beliy, N Caebergs, T Daubie, E Hammad, GH Alda, WL Alves, GA Brito, L Martins, MC Martins, TD Molina, J Herrera, CM Pol, ME Teles, PR Carvalho, W Chinellato, J Custodio, A Da Costa, EM Damiao, DD Martins, CD De Souza, SF Malbouisson, H Figueiredo, DM Mundim, L Nogima, H Da Silva, WLP Santaolalla, J Santoro, A Sznajder, A Manganote, EJT Pereira, AV Bernardes, CA Dogra, S Tomei, TRFP Gregores, EM Mercadante, PG Novaes, SF Padula, SS Aleksandrov, A Genchev, V Hadjiiska, R Iaydjiev, P Marinov, A Piperov, S Rodozov, M Stoykova, S Sultanov, G Vutova, M Dimitrov, A Glushkov, I Litov, L Pavlov, B Petkov, P Bian, JG Chen, GM Chen, HS Chen, M Cheng, T Du, R Jiang, CH Plestina, R Romeo, F Tao, J Wang, Z Asawatangtrakuldee, C Ban, Y Liu, S Mao, Y Qian, SJ Wang, D Xu, Z Zhang, L Zou, W Avila, C Cabrera, A 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 Sudic, L Attikis, A Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, F Razis, PA Rykaczewski, H Bodlak, M Finger, M Finger, M Assran, Y Kamel, AE Mahmoud, MA Radi, A Kadastik, M Murumaa, M Raidal, M Tiko, A Eerola, P 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 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Halkiadakis, E. Hidas, D. Kaplan, S. Lath, A. Panwalkar, S. Park, M. Salur, S. Schnetzer, S. Sheffield, D. Somalwar, S. Stone, R. Thomas, S. Thomassen, P. Walker, M. Rose, K. Spanier, S. York, A. Bouhali, O. Hernandez, A. Castaneda Dildick, S. Eusebi, R. Flanagan, W. Gilmore, J. Kamon, T. Khotilovich, V. Krutelyov, V. Montalvo, R. Osipenkov, I. Pakhotin, Y. Patel, R. Perloff, A. Roe, J. Rose, A. Safonov, A. Suarez, I. Tatarinov, A. Ulmer, K. A. Akchurin, N. Cowden, C. Damgov, J. Dragoiu, C. Dudero, P. R. Faulkner, J. Kovitanggoon, K. Kunori, S. Lee, S. W. Libeiro, T. Volobouev, I. Appelt, E. Delannoy, A. G. Greene, S. Gurrola, A. Johns, W. Maguire, C. Mao, Y. Melo, A. Sharma, M. Sheldon, P. Snook, B. Tuo, S. Velkovska, J. Arenton, M. W. Boutle, S. Cox, B. Francis, B. Goodell, J. Hirosky, R. Ledovskoy, A. Li, H. Lin, C. Neu, C. Wolfe, E. Wood, J. Clarke, C. Harr, R. Karchin, P. E. Don, C. Kottachchi Kankanamge Lamichhane, P. Sturdy, J. Belknap, D. A. Carlsmith, D. Cepeda, M. Dasu, S. Dodd, L. Duric, S. Friis, E. Hall-Wilton, R. Herndon, M. Herve, A. Klabbers, P. Lanaro, A. Lazaridis, C. Levine, A. Loveless, R. Mohapatra, A. Ojalvo, I. Perry, T. Pierro, G. A. Polese, G. Ross, I. Sarangi, T. Savin, A. Smith, W. H. Taylor, D. Vuosalo, C. Woods, N. CA CMS Collaboration TI Performance of electron reconstruction and selection with the CMS detector in proton-proton collisions at root s=8 TeV SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Pattern recognition; cluster finding; calibration and fitting methods; Performance of High Energy Physics Detectors ID TUNGSTATE CRYSTAL CALORIMETER; HADRON-COLLISIONS AB The performance and strategies used in electron reconstruction and selection at CMS are presented based on data corresponding to an integrated luminosity of 19.7 fb(-1), collected in proton-proton collisions at root s = 8TeV at the CERN LHC. The paper focuses on prompt isolated electrons with transverse momenta ranging from about 5 to a few 100 GeV. A detailed description is given of the algorithms used to cluster energy in the electromagnetic calorimeter and to reconstruct electron trajectories in the tracker. The electron momentum is estimated by combining the energy measurement in the calorimeter with the momentum measurement in the tracker. Benchmark selection criteria are presented, and their performances assessed using Z, SIC, and J/psi decays into e(+)+e(-) pairs. The spectra of the observables relevant to electron reconstruction and selection as well as their global efficiencies are well reproduced by Monte Carlo simulations. The momentum scale is calibrated with an uncertainty smaller than 0.3%. The momentum resolution for electrons produced in Z boson decays ranges from 1.7 to 4.5%, depending on electron pseudorapidity and energy loss through bremsstrahlung in the detector material. C1 [Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.] Yerevan Phys Inst, Yerevan 375036, Armenia. 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[Barone, L.; Cavallari, F.; D'imperio, G.; Del Re, D.; Diemoz, M.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.; Soffi, L.; Traczyk, P.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Barone, L.; D'imperio, G.; Del Re, D.; Longo, E.; Margaroli, F.; Micheli, F.; Organtini, G.; Rahatlou, S.; Santanastasio, F.; 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.; Covarelli, R.; Degano, A.; Demaria, N.; Finco, L.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Angioni, G. L. Pinna; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Tamponi, U.; Trapani, P. P.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Amapane, N.; Argiro, S.; Bellan, R.; Casasso, S.; Costa, M.; Degano, A.; Finco, L.; Migliore, E.; Monaco, V.; Pacher, L.; Angioni, G. L. Pinna; Romero, A.; Sacchi, R.; Solano, A.; Trapani, P. P.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientale Novara, Turin, Italy. [Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; La Licata, C.; Marone, M.; Schizzi, A.; Umer, T.; Zanetti, A.; Zanetti, M.] Ist Nazl Fis Nucl, Sez Trieste, Trieste, Italy. [Candelise, V.; Della Ricca, G.; La Licata, C.; Marone, M.; Schizzi, A.; Umer, T.] Univ Trieste, Trieste, Italy. [Chang, S.; Kropivnitskaya, A.; Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea. [Kim, D. H.; Kim, G. N.; Kim, M. S.; Kong, D. J.; Lee, S.; Oh, Y. D.; Park, H.; Sakharov, A.; Son, D. C.] Kyungpook Natl Univ, Daegu, South Korea. [Kim, T. J.; Ryu, M. S.] Chonbuk Natl Univ, Jeonju, South Korea. [Kim, J. Y.; Moon, D. H.; 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, B.; Lee, K. S.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea. [Yoo, H. D.] Seoul Natl Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, I. C.; Ryu, G.] Univ Seoul, Seoul, South Korea. [Choi, Y.; Choi, Y. K.; Goh, J.; Kim, D.; Kwon, E.; Lee, J.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Juodagalvis, A.] Vilnius State Univ, Vilnius, Lithuania. [Komaragiri, J. R.; Ali, M. A. B. Md; Abdullah, W. A. T. Wan] Univ Malaya, Natl Ctr Particle Phys, Kuala Lumpur, Malaysia. [Casimiro Linares, E.; Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-de La Cruz, I.; Hernandez-Almada, A.; Lopez-Fernandez, R.; Sanchez-Hernandez, A.] IPN, Ctr Invest & Estudios Avanzados, Mexico City 07738, DF, Mexico. [Carrillo Moreno, S.; Vazquez Valencia, F.] Univ Iberoameri, Mexico City, DF, Mexico. [Pedraza, I.; Salazar Ibarguen, H. A.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Morelos Pineda, A.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland 1, New Zealand. [Butler, P. H.; Reucroft, S.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, A.; Ahmad, M.; Hassan, Q.; Hoorani, H. R.; Khan, W. A.; Khurshid, T.; 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.; 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.; Olszewski, M.] Univ Warsaw, Inst Expt Phys, Fac Phys, Warsaw, Poland. [Bargassa, P.; Beirao Da Cruz E Silva, C.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Lloret Iglesias, L.; Nguyen, F.; Rodrigues Antunes, J.; Seixas, J.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Afanasiev, S.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Konoplyanikov, V.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Skatchkov, N.; Smirnov, V.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Golovtsov, V.; Ivanov, Y.; Kim, V.; Kuznetsova, E.; 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.; Pozdnyakov, I.; Safronov, G.; Semenov, S.; Stolin, V.; Vlasov, E.; Zhokin, A.; Spiropulu, M.] 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.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Kaminskiy, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] Inst High Energy Phys, State Res Ctr Russian Federat, Protvino, Russia. [Adzic, P.; Ekmedzic, M.; Milosevic, J.; Rekovic, V.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Adzic, P.; Ekmedzic, M.; Milosevic, J.; Rekovic, V.] Univ Belgrade, Vinca Inst Nucl Sci, Belgrade, Serbia. [Alcaraz Maestre, J.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Dominguez Vazquez, D.; Escalante Del Valle, A.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Navarro De Martino, E.; Perez-Calero Yzquierdo, A.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.] Ctr Invest Energet Medioambientales & Tecnol CIEM, Madrid, Spain. [Albajar, C.; de Troconiz, J. F.; Missiroli, M.; Moran, D.] Univ Autonoma Madrid, Madrid, Spain. [Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.] Univ Oviedo, Oviedo, Spain. [Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Duarte Campderros, J.; Fernandez, M.; Gomez, G.; 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. [Bloch, D.; Sharma, A.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benaglia, A.; Bendavid, J.; Benhabib, L.; Benitez, J. F.; Bocci, A.; Bonato, A.; Bondu, O.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Colafranceschi, S.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; David, A.; De Guio, F.; De Roeck, A.; De Visscher, S.; Di Marco, E.; Dobson, M.; Dordevic, M.; Dorney, B.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Franzoni, G.; Funk, W.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Glege, F.; Guida, R.; Gundacker, S.; Guthoff, M.; Hammer, J.; Hansen, M.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lourenco, C.; Magini, N.; Malgeri, L.; Mannelli, M.; Marrouche, J.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Morovic, S.; Mulders, M.; Orsini, L.; Pape, L.; Perez, E.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pimiae, M.; Piparo, D.; Plagge, M.; Racz, A.; Rolandi, G.; Rovere, M.; Sakulin, H.; Schaefer, C.; Schwick, C.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Steggemann, J.; Stieger, B.; Stoye, M.; Takahashi, Y.; Treille, D.; Tsirou, A.; Veres, G. I.; Wardle, N.; Woehri, H. K.; Wollny, H.; 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.; Kotlinski, D.; Langenegger, U.; Renker, D.; Rohe, T.] Paul Scherrer Inst, Villigen, Switzerland. [Bachmair, F.; Baeni, L.; Bianchini, L.; Buchmann, M. A.; Casal, B.; Chanon, N.; Dissertori, G.; Dittmar, M.; Donega, M.; Duenser, M.; Eller, P.; Grab, C.; Hits, D.; Hoss, J.; Kasieczka, G.; Lustermann, W.; Mangano, B.; Marini, A. C.; Marionneau, M.; del Arbol, P. Martinez Ruiz; Masciovecchio, M.; Meister, D.; Mohr, N.; Musella, P.; Naegeli, C.; Nessi-Tedaldi, F.; Pandolfi, F.; Pauss, F.; Perrozzi, L.; Peruzzi, M.; Quittnat, M.; Rebane, L.; Rossini, M.; Starodumov, A.; Takahashi, M.; Theofilatos, K.; Wallny, R.; Weber, H. A.] Swiss Fed Inst Technol, Inst Particle Phys, Zurich, Switzerland. [Amsler, C.; Canelli, M. F.; Chiochia, V.; De Cosa, A.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Lange, C.; Ngadiuba, J.; Pinna, D.; Robmann, P.; Ronga, F. J.; Taroni, S.; Yang, Y.] Univ Zurich, Zurich, Switzerland. [Cardaci, M.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.] Natl Cent Univ, Chungli 32054, Taiwan. [Chang, P.; Chang, Y. H.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Grundler, U.; Hou, W. S.; Liu, Y. F.; Lu, R. S.; Moya, M. Minano; Petrakou, E.; Tzeng, Y. M.; Wilken, R.] Natl Taiwan Univ, Taipei 10764, Taiwan. [Asavapibhop, B.; Singh, G.; Srimanobhas, N.; Suwonjandee, N.] Chulalongkorn Univ, Fac Sci, Dept Phys, Bangkok, Thailand. [Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Guler, Y.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Cerci, D. Sunar; Tali, B.; Topakli, H.; Vergili, M.; Zorbilmez, C.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Bilin, B.; Bilmis, S.; Gamsizkan, H.; Isildak, B.; Karapinar, G.; Ocalan, K.; Sekmen, S.; Surat, U. E.; Yalvac, M.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Albayrak, E. A.; Gulmez, E.; Kaya, M.; Kaya, O.; Yetkin, T.] Bogazici Univ, Istanbul, Turkey. [Cankocak, K.; Vardarli, F. I.] 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.; 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.; Sakuma, T.; El Nasr-Storey, S. Seif; Senkin, S.; Smith, V. J.] 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.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Williams, T.; 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.; Dauncey, P.; Davies, G.; Della Negra, M.; Dunne, P.; Elwood, A.; Ferguson, W.; Fulcher, J.; Futyan, D.; Hall, G.; Iles, G.; Jarvis, M.; Karapostoli, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A. M.; Malik, S.; Mathias, B.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Tapper, A.; Acosta, M. Vazquez; Virdee, T.; Zenz, S. C.] Univ London Imperial Coll Sci Technol & Med, London, England. [Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Pastika, N.; Scarborough, T.; Wu, Z.] 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.; Lawson, P.; Richardson, C.; Rohlf, J.; St John, J.; Sulak, L.] Boston Univ, Boston, MA 02215 USA. [Bhattacharya, S.; Alimena, J.; Berry, E.; Christopher, G.; Cutts, D.; Demiragli, Z.; Dhingra, N.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Laird, E.; Landsberg, G.; Narain, M.; Sagir, S.; 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.; Lander, R.; Mulhearn, M.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Wilbur, S.; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. Univ Calif Los Angeles, Los Angeles, CA USA. [Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Rikova, M. Ivova; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Luthra, A.; Malberti, M.; Negrete, M. Olmedo; Shrinivas, A.; Sumowidagdo, S.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Sharma, V.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Holzner, A.; Kelley, R.; Klein, D.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Palmer, C.; Pieri, M.; Sani, M.; Simon, S.; Tadel, M.; Tu, Y.; Vartak, A.; Wuerthwein, F.; Yagil, A.; Della Porta, G. Zevi; Walker, M.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Bradmiller-Feld, J.; Campagnari, C.; Danielson, T.; Dishaw, A.; Dutta, V.; Flowers, K.; Sevilla, M. Franco; Geffert, P.; George, C.; Golf, F.; Gouskos, L.; Incandela, J.; Justus, C.; Mccoll, N.; Mullin, S. D.; Richman, J.; Stuart, D.; To, W.; West, C.; Yoo, J.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. [Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Mott, A.; Newman, H. B.; Pena, C.; Pierini, M.; Spiropulu, M.; Vlimant, J. R.; Wilkinson, R.; Xie, S.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA. [Azzolini, V.; Calamba, A.; Carlson, B.; Ferguson, T.; Iiyama, Y.; Paulini, M.; Russ, J.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Cumalat, J. P.; Ford, W. T.; Gaz, A.; Krohn, M.; Lopez, E. Luiggi; Nauenberg, U.; Smith, J. G.; Stenson, K.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; Chaves, J.; Chu, J.; Dittmer, S.; Eggert, N.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Ryd, A.; Salvati, E.; Skinnari, L.; 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.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gottschalk, E.; Gray, L.; Green, D.; Gruenendahl, S.; Gutsche, O.; Hanlon, J.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Kwan, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; De Sa, R. Lopes; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoorn, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mishra, K.; Mrenna, S.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitbeck, A.; Whitmore, J.; Yang, F.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Carver, M.; Curry, D.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Field, R. D.; Fisher, M.; Furic, I. K.; Hugon, J.; Konigsberg, J.; Korytov, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Mei, H.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Rinkevicius, A.; Shchutska, L.; Snowball, M.; Sperka, D.; Yelton, J.; Zakaria, M.] Univ Florida, Gainesville, FL USA. [Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA. [Adams, J. R.; Adams, T.; Askew, A.; Bochenek, 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.; Hohlmann, M.; Kalakhety, H.; Yumiceva, F.] Florida Inst Technol, Melbourne, FL 32901 USA. [Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Kurt, P.; O'Brien, C.; Gonzalez, I. D. Sandoval; Silkworth, C.; Turner, P.; Varelas, N.] UIC, Chicago, IL USA. [Bilki, B.; Clarida, W.; Dilsiz, K.; Haytmyradov, M.; Merlo, J. P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Rahmat, R.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Anderson, I.; Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Swartz, M.; Xiao, M.] Johns Hopkins Univ, Baltimore, MD USA. [Baringer, P.; Bean, A.; Benelli, G.; Bruner, C.; Gray, J.; Kenny, R. P., III; Majumder, D.; Malek, M.; Murray, M.; Noonan, D.; Sanders, S.; Sekaric, J.; Stringer, R.; Wang, Q.; Wood, J. S.] Univ Kansas, Lawrence, KS 66045 USA. [Chakaberia, I.; Ivanov, A.; Kaadze, K.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Skhirtladze, N.; Svintradze, I.] Kansas State Univ, Manhattan, KS 66506 USA. [Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Gomez Moreno, B.; Baden, A.; Belloni, A.; Calvert, B.; Eno, S. C.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Mignerey, A. C.; Pedro, K.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Barbieri, R.; Bierwagen, K.; Busza, W.; Cali, I. A.; Di Matteo, L.; Ceballos, G. Gomez; Goncharov, M.; Gulhan, D.; Klute, M.; Lai, Y. S.; Lee, Y. J.; Levin, A.; Luckey, P. D.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Sumorok, K.; Velicanu, D.; Veverka, J.; Wyslouch, B.; Yang, M.; Zanetti, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA. [Dahmes, B.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Nourbakhsh, S.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Acosta, J. G.; Oliveros, S.] Univ Mississippi, Oxford, MS USA. [Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Suarez, R. 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RI Montanari, Alessandro/J-2420-2012; Manganote, Edmilson/K-8251-2013; Lokhtin, Igor/D-7004-2012; Grandi, Claudio/B-5654-2015; Rovelli, Tiziano/K-4432-2015; Dremin, Igor/K-8053-2015; VARDARLI, Fuat Ilkehan/B-6360-2013; Hoorani, Hafeez/D-1791-2013; Dogra, Sunil /B-5330-2013; Leonidov, Andrey/M-4440-2013; Andreev, Vladimir/M-8665-2015; Petrushanko, Sergey/D-6880-2012; Cakir, Altan/P-1024-2015; Ruiz, Alberto/E-4473-2011; Govoni, Pietro/K-9619-2016; Tuominen, Eija/A-5288-2017; Yazgan, Efe/C-4521-2014; Paulini, Manfred/N-7794-2014; Inst. of Physics, Gleb Wataghin/A-9780-2017; Ogul, Hasan/S-7951-2016; ciocci, maria agnese /I-2153-2015; Kovac, Marko/D-5817-2017; Perez-Calero Yzquierdo, Antonio/F-2235-2013; Novaes, Sergio/D-3532-2012; Della Ricca, Giuseppe/B-6826-2013; Chinellato, Jose Augusto/I-7972-2012; Tomei, Thiago/E-7091-2012; Dubinin, Mikhail/I-3942-2016; Stahl, Achim/E-8846-2011; Kirakosyan, Martin/N-2701-2015; Gulmez, Erhan/P-9518-2015; Tinoco Mendes, Andre David/D-4314-2011; Seixas, Joao/F-5441-2013; Matorras, Francisco/I-4983-2015; TUVE', Cristina/P-3933-2015; Dudko, Lev/D-7127-2012; KIM, Tae Jeong/P-7848-2015; Menasce, Dario/A-2168-2016; Paganoni, Marco/A-4235-2016; Azarkin, Maxim/N-2578-2015; de Jesus Damiao, Dilson/G-6218-2012; Calvo Alamillo, Enrique/L-1203-2014; Flix, Josep/G-5414-2012; Hernandez Calama, Jose Maria/H-9127-2015; Cerrada, Marcos/J-6934-2014; Vilela Pereira, Antonio/L-4142-2016; Sznajder, Andre/L-1621-2016; Mora Herrera, Maria Clemencia/L-3893-2016; Mundim, Luiz/A-1291-2012; Konecki, Marcin/G-4164-2015; Vogel, Helmut/N-8882-2014; Benussi, Luigi/O-9684-2014; Xie, Si/O-6830-2016; Leonardo, Nuno/M-6940-2016; Calderon, Alicia/K-3658-2014; Goh, Junghwan/Q-3720-2016 OI Montanari, Alessandro/0000-0003-2748-6373; Grandi, Claudio/0000-0001-5998-3070; Rovelli, Tiziano/0000-0002-9746-4842; Ruiz, Alberto/0000-0002-3639-0368; Govoni, Pietro/0000-0002-0227-1301; Tuominen, Eija/0000-0002-7073-7767; Yazgan, Efe/0000-0001-5732-7950; Paulini, Manfred/0000-0002-6714-5787; Ogul, Hasan/0000-0002-5121-2893; ciocci, maria agnese /0000-0003-0002-5462; Martinez Ruiz del Arbol, Pablo/0000-0002-7737-5121; Heath, Helen/0000-0001-6576-9740; Perez-Calero Yzquierdo, Antonio/0000-0003-3036-7965; Novaes, Sergio/0000-0003-0471-8549; Della Ricca, Giuseppe/0000-0003-2831-6982; Chinellato, Jose Augusto/0000-0002-3240-6270; Tomei, Thiago/0000-0002-1809-5226; Dubinin, Mikhail/0000-0002-7766-7175; Stahl, Achim/0000-0002-8369-7506; Gulmez, Erhan/0000-0002-6353-518X; Tinoco Mendes, Andre David/0000-0001-5854-7699; Seixas, Joao/0000-0002-7531-0842; Matorras, Francisco/0000-0003-4295-5668; TUVE', Cristina/0000-0003-0739-3153; Dudko, Lev/0000-0002-4462-3192; KIM, Tae Jeong/0000-0001-8336-2434; Menasce, Dario/0000-0002-9918-1686; Paganoni, Marco/0000-0003-2461-275X; de Jesus Damiao, Dilson/0000-0002-3769-1680; Calvo Alamillo, Enrique/0000-0002-1100-2963; Flix, Josep/0000-0003-2688-8047; Hernandez Calama, Jose Maria/0000-0001-6436-7547; Cerrada, Marcos/0000-0003-0112-1691; Vilela Pereira, Antonio/0000-0003-3177-4626; Sznajder, Andre/0000-0001-6998-1108; Mora Herrera, Maria Clemencia/0000-0003-3915-3170; Mundim, Luiz/0000-0001-9964-7805; Konecki, Marcin/0000-0001-9482-4841; Vogel, Helmut/0000-0002-6109-3023; Benussi, Luigi/0000-0002-2363-8889; Xie, Si/0000-0003-2509-5731; Leonardo, Nuno/0000-0002-9746-4594; Goh, Junghwan/0000-0002-1129-2083 FU Austrian Federal Ministry of Science, Research and Economy; Austrian Science Fund; Belgian Fonds de la Recherche Scientifique; Fonds voor Wetenschappelijk Onderzoek; CNPq; CAPES; FAPERJ; FAPESP; Bulgarian Ministry of Education and Science; CERN; Chinese Academy of Sciences, Ministry of Science and Technology; National Natural Science Foundation of China; Colombian Funding Agency (COLCIENCIAS); Croatian Ministry of Science, Education and Sport; Croatian Science Foundation; Research Promotion Foundation, Cyprus; Ministry of Education and Research; Estonian Research Council [IUT23-4, IUT23-6]; European Regional Development Fund, Estonia; Academy of Finland; Finnish Ministry of Education and Culture; Helsinki Institute of Physics; Institut National de Physique Nucleaire et de Physique des Particules/CNRS; Commissariat a l'Energie Atomique et aux Energies Alternatives/CEA, France; Bundesministerium fur Bildung und Forschung; Deutsche Forschungsgemeinschaft; Helmholtz-Gemeinschaft Deutscher Forschungszentren, Germany; General Secretariat for Research and Technology, Greece; National Scientific Research Foundation; National Innovation Office, Hungary; Department of Atomic Energy, India; Department of Science and Technology, India; Institute for Studies in Theoretical Physics and Mathematics, Iran; Science Foundation, Ireland; Istituto Nazionale di Fisica Nucleare, Italy; Ministry of Science, ICT and Future Planning; National Research Foundation (NRF), Republic of Korea; Lithuanian Academy of Sciences; Ministry of Education; University of Malaya (Malaysia); CINVESTAV; CONACYT; SEP; UASLP-FAI; Ministry of Business, Innovation and Employment, New Zealand; Pakistan Atomic Energy Commission; Ministry of Science and Higher Education; National Science Centre, Poland; Fundacao para a Ciencia e a Tecnologia, Portugal; JINR, Dubna; Ministry of Education and Science of the Russian Federation; Federal Agency of Atomic Energy of the Russian Federation; Russian Academy of Sciences; Russian Foundation for Basic Research; Ministry of Education, Science and Technological Development of Serbia; Secretaria de Estado de Investigacion, Desarrollo e Innovacion and Programa Consolider-Ingenio, Spain; ETH Board; ETH Zurich; PSI; SNF; UniZH; Canton Zurich; SER; Ministry of Science and Technology, Taipei; Thailand Center of Excellence in Physics; Institute for the Promotion of Teaching Science and Technology of Thailand; Special Task Force for Activating Research and the National Science and Technology Development Agency of Thailand; Scientific and Technical Research Council of Turkey; Turkish Atomic Energy Authority; National Academy of Sciences of Ukraine; State Fund for Fundamental Researches, Ukraine; Science and Technology Facilities Council, U.K.; US Department of Energy; US National Science Foundation; Marie-Curie programme; European Research Council (European Union); 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 the Czech Republic; Council of Science and Industrial Research, India; HOMING PLUS programme of Foundation for Polish Science; European Union; Regional Development Fund; Compagnia di San Paolo (Torino); Consorzio per la Fisica (Trieste); MIUR (Italy) [20108T4XTM]; Thalis programme; Aristeia programme; EU-ESF; Greek NSRF; National Priorities Research Program by Qatar National Research Fund FX We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC and thank the technical and administrative staffs at CERN and at other CMS institutes for their contributions to the success of the CMS effort. In addition, we gratefully acknowledge the computing centres and personnel of the Worldwide LHC Computing Grid for delivering so effectively the computing infrastructure essential to our analyses.; Finally, we acknowledge the enduring support for the construction and operation of the LHC and the CMS detector provided by the following funding agencies: the Austrian Federal Ministry of Science, Research and Economy and the Austrian Science Fund; the Belgian Fonds de la Recherche Scientifique, and Fonds voor Wetenschappelijk Onderzoek; the Brazilian Funding Agencies (CNPq, CAPES, FAPERJ, and FAPESP); the Bulgarian Ministry of Education and Science; CERN; the Chinese Academy of Sciences, Ministry of Science and Technology, and National Natural Science Foundation of China; the Colombian Funding Agency (COLCIENCIAS); the Croatian Ministry of Science, Education and Sport, and the Croatian Science Foundation; the Research Promotion Foundation, Cyprus; the Ministry of Education and Research, Estonian Research Council via IUT23-4 and IUT23-6 and European Regional Development Fund, Estonia; the Academy of Finland, Finnish Ministry of Education and Culture, and Helsinki Institute of Physics; the Institut National de Physique Nucleaire et de Physique des Particules/CNRS, and Commissariat a l'Energie Atomique et aux Energies Alternatives/CEA, France; the Bundesministerium fur Bildung und Forschung, Deutsche Forschungsgemeinschaft, and Helmholtz-Gemeinschaft Deutscher Forschungszentren, Germany; the General Secretariat for Research and Technology, Greece; the National Scientific Research Foundation, and National Innovation Office, Hungary; the Department of Atomic Energy and the Department of Science and Technology, India; the Institute for Studies in Theoretical Physics and Mathematics, Iran; the Science Foundation, Ireland; the Istituto Nazionale di Fisica Nucleare, Italy; the Ministry of Science, ICT and Future Planning, and National Research Foundation (NRF), Republic of Korea; the Lithuanian Academy of Sciences; the Ministry of Education, and University of Malaya (Malaysia); the Mexican Funding Agencies (CINVESTAV, CONACYT, SEP, and UASLP-FAI); the Ministry of Business, Innovation and Employment, New Zealand; the Pakistan Atomic Energy Commission; the Ministry of Science and Higher Education and the National Science Centre, Poland; the Fundacao para a Ciencia e a Tecnologia, Portugal; JINR, Dubna; the Ministry of Education and Science of the Russian Federation, the Federal Agency of Atomic Energy of the Russian Federation, Russian Academy of Sciences, and the Russian Foundation for Basic Research; the Ministry of Education, Science and Technological Development of Serbia; the Secretaria de Estado de Investigacion, Desarrollo e Innovacion and Programa Consolider-Ingenio 2010, Spain; the Swiss Funding Agencies (ETH Board, ETH Zurich, PSI, SNF, UniZH, Canton Zurich, and SER); the Ministry of Science and Technology, Taipei; the Thailand Center of Excellence in Physics, the Institute for the Promotion of Teaching Science and Technology of Thailand, Special Task Force for Activating Research and the National Science and Technology Development Agency of Thailand; the Scientific and Technical Research Council of Turkey, and Turkish Atomic Energy Authority; the National Academy of Sciences of Ukraine, and State Fund for Fundamental Researches, Ukraine; the Science and Technology Facilities Council, U.K.; the US Department of Energy, and the US National Science Foundation.; Individuals have received support from the Marie-Curie programme and the European Research Council and EPLANET (European Union); the Leventis Foundation; the A.P. Sloan Foundation; the Alexander von Humboldt Foundation; the Belgian Federal Science Policy Office; the Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA- Belgium); the Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); the Ministry of Education, Youth and Sports (MEYS) of the Czech Republic; the Council of Science and Industrial Research, India; the HOMING PLUS programme of Foundation for Polish Science, cofinanced from European Union, Regional Development Fund; the Compagnia di San Paolo (Torino); the Consorzio per la Fisica (Trieste); MIUR project 20108T4XTM (Italy); the Thalis and Aristeia programmes cofinanced by EU-ESF and the Greek NSRF; and the National Priorities Research Program by Qatar National Research Fund. NR 45 TC 2 Z9 2 U1 8 U2 41 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JUN PY 2015 VL 10 AR P06005 DI 10.1088/1748-0221/10/06/P06005 PG 65 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM9CQ UT WOS:000358004200021 ER PT J AU Lee, MJ Brown, DN Chang, JK Ding, D Gnani, D Grace, CR Jones, JA Kolomensky, YG von der Lippe, H Mcvittie, PJ Stettler, MW Walder, JP AF Lee, M. J. Brown, D. N. Chang, J. K. Ding, D. Gnani, D. Grace, C. R. Jones, J. A. Kolomensky, Y. G. von der Lippe, H. Mcvittie, P. J. Stettler, M. W. Walder, J. P. TI Design and performance of a custom ASIC digitizer for wire chamber readout in 65 nm CMOS technology SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Digital signal processing (DSP); CMOS readout of gaseous detectors; Front-end electronics for detector readout ID TO-DIGITAL CONVERTER; CHIP AB We present the design and performance of a prototype ASIC digitizer for integrated wire chamber readout, implemented in 65 nm commercial CMOS technology. Each channel of the 4-channel prototype is composed of two 16-bit Time-to-Digital Converters (TDCs), one 8-bit Analog-to-Digital Converter (ADC), a front-end preamplifier and shaper, plus digital and analog buffers that support a variety of digitization chains. The prototype has a multiplexed digital backend that executes a state machine, distributes control and timing signals, and buffers data for serial output. Laboratory bench tests measure the absolute TDC resolution between 74 ps and 480 ps, growing with the absolute delay, and a relative time resolution of 19 ps. Resolution outliers due to cross-talk between clock signals and supply or reference voltages are seen. After calibration, the ADC displays good linearity and noise performance, with an effective number of bits of 6.9. Under normal operating conditions the circuit consumes 32 mW per channel. Potential design improvements to address the resolution drift and tails are discussed. C1 [Lee, M. J.; Brown, D. N.; Chang, J. K.; Ding, D.; Gnani, D.; Grace, C. R.; Jones, J. A.; Kolomensky, Y. G.; von der Lippe, H.; Mcvittie, P. J.; Stettler, M. W.; Walder, J. P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Chang, J. K.; Ding, D.; Kolomensky, Y. G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Lee, MJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mjlee@lbl.gov RI Kolomensky, Yury/I-3510-2015 OI Kolomensky, Yury/0000-0001-8496-9975 FU US Department of Energy (DOE), Office of Science [DE-AC02-05CH11231, DE-AC02-07CH11359] FX This material is based upon work supported by the US Department of Energy (DOE), Office of Science under contract numbers DE-AC02-05CH11231 and DE-AC02-07CH11359. We thank the personnel of the MNRC reactor facility operated by the University of California at Davis for their support during the radiation tolerance testing. NR 13 TC 1 Z9 1 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JUN PY 2015 VL 10 AR P06007 DI 10.1088/1748-0221/10/06/P06007 PG 22 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM9CQ UT WOS:000358004200023 ER PT J AU Meot, F AF Meot, F. TI Simulation of radiation damping in rings, using stepwise ray-tracing methods SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Accelerator modelling and simulations (multi-particle dynamics; single-particle dynamics); Beam Optics; Beam dynamics AB The ray-tracing code Zgoubi computes particle trajectories in arbitrary magnetic and/or electric field maps or analytical field models. It includes a built-in fitting procedure, spin tracking, many Monte Carlo processes. The accuracy of the integration method makes it an efficient tool for multi-turn tracking in periodic machines. Energy loss by synchrotron radiation, based on Monte Carlo techniques, had been introduced in Zgoubi in the early 2000s for studies regarding the linear collider beam delivery system. However, only recently has this Monte Carlo tool been used for systematic beam dynamics and spin diffusion studies in rings, including the eRHIC electron-ion collider project at the Brookhaven National Laboratory. Some beam dynamics aspects of this recent use of Zgoubi capabilities, including considerations of accuracy as well as further benchmarking in the presence of synchrotron radiation in rings, are reported here. C1 Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. RP Meot, F (reprint author), Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. EM fmeot@bnl.gov NR 29 TC 0 Z9 0 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JUN PY 2015 VL 10 AR T06006 DI 10.1088/1748-0221/10/06/T06006 PG 25 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM9CQ UT WOS:000358004200037 ER PT J AU Nomerotski, A AF Nomerotski, A. TI New characterization techniques for LSST sensors SO JOURNAL OF INSTRUMENTATION LA English DT Article; Proceedings Paper CT Conference on Precision Astronomy with Fully Depleted CCDs CY DEC 04-05, 2014 CL Brookhaven Natl Lab, Upton, NY HO Brookhaven Natl Lab DE Photon detectors for UV, visible and IR photons (solid-state) (PIN diodes, APDs, Si-PMTs, G-APDs, CCDs, EBCCDs, EMCCDs etc); Charge transport and multiplication in solid media; Image processing AB Fully depleted, thick CCDs with extended infra-red response have become the sensor of choice for modern sky surveys. However, the charge transport effects in the silicon and associated astrometric distortions could make mapping between the sky coordinates and sensor coordinates non-trivial, and limit the ultimate precision achievable with these sensors. Two new characterization techniques for the CCDs, which both could probe these issues, are discussed: x-ray flat fielding and imaging of pinhole arrays. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Nomerotski, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM anomerotski@bnl.gov RI Nomerotski, Andrei/A-5169-2010 NR 11 TC 0 Z9 0 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD JUN PY 2015 VL 10 AR C06010 DI 10.1088/1748-0221/10/06/C06010 PG 12 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM9CQ UT WOS:000358004200010 ER PT J AU Biswal, NC Wu, Z Sun, J Chu, J AF Biswal, N. C. Wu, Z. Sun, J. Chu, J. TI Skin Temperature Recovery Rate as a Potential Predictor for Radiation-Induced Skin Reactions SO MEDICAL PHYSICS LA English DT Meeting Abstract CT 57th Annual Meeting and Exhibition of the American-Association-of-Physicists-in-Medicine (AAPM) CY JUL 12-16, 2015 CL Anaheim, CA SP Amer Assoc Physicists Med C1 [Biswal, N. C.; Wu, Z.; Chu, J.] Rush Univ, Med Ctr, Chicago, IL 60612 USA. [Sun, J.] Argonne Natl Lab, Lemont, IL USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER ASSOC PHYSICISTS MEDICINE AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0094-2405 J9 MED PHYS JI Med. Phys. PD JUN PY 2015 VL 42 IS 6 BP 3329 EP 3329 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CL5KH UT WOS:000356998301580 PM 26127662 ER PT J AU Reft, C Lu, Z Noonan, J AF Reft, C. Lu, Z. Noonan, J. TI Dosimetry of a Small Field Electron Beam for Innovative Radiotherapy of Small Surface Or Internal Tumors SO MEDICAL PHYSICS LA English DT Meeting Abstract CT 57th Annual Meeting and Exhibition of the American-Association-of-Physicists-in-Medicine (AAPM) CY JUL 12-16, 2015 CL Anaheim, CA SP Amer Assoc Physicists Med C1 [Reft, C.; Lu, Z.] Univ Chicago, Chicago, IL 60637 USA. [Noonan, J.] Argonne Natl Lab, Lemont, IL USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER ASSOC PHYSICISTS MEDICINE AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0094-2405 J9 MED PHYS JI Med. Phys. PD JUN PY 2015 VL 42 IS 6 BP 3411 EP 3411 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CL5KH UT WOS:000356998302046 PM 26128002 ER PT J AU Ramos-Mendez, J Perl, J Schuemann, J Shin, J Paganetti, H Faddegon, B AF Ramos-Mendez, J. Perl, J. Schuemann, J. Shin, J. Paganetti, H. Faddegon, B. TI Implementation of An Extension Module for Dose Response Models in the TOPAS Monte Carlo Toolkit SO MEDICAL PHYSICS LA English DT Meeting Abstract CT 57th Annual Meeting and Exhibition of the American-Association-of-Physicists-in-Medicine (AAPM) CY JUL 12-16, 2015 CL Anaheim, CA SP Amer Assoc Physicists Med C1 [Ramos-Mendez, J.; Faddegon, B.] Univ Calif San Francisco, San Francisco, CA 94143 USA. [Perl, J.] Stanford Linear Accelerator Ctr, Menlo Pk, CA USA. [Schuemann, J.; Paganetti, H.] Massachusetts Gen Hosp, Boston, MA 02114 USA. [Shin, J.] St Jude Childrens Res Hosp, Memphis, TN 38105 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER ASSOC PHYSICISTS MEDICINE AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0094-2405 J9 MED PHYS JI Med. Phys. PD JUN PY 2015 VL 42 IS 6 BP 3441 EP 3442 PG 2 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CL5KH UT WOS:000356998302172 PM 26128130 ER PT J AU Lin, Y La Tessa, C Rusek, A Held, K AF Lin, Y. La Tessa, C. Rusek, A. Held, K. TI Irradiation of Human Cell Lines Using Carbon Ions: Real Time Dosimetry Using Gaf-Chromic Film SO MEDICAL PHYSICS LA English DT Meeting Abstract CT 57th Annual Meeting and Exhibition of the American-Association-of-Physicists-in-Medicine (AAPM) CY JUL 12-16, 2015 CL Anaheim, CA SP Amer Assoc Physicists Med C1 [Lin, Y.; Held, K.] Massachusetts Gen Hosp, Boston, MA 02114 USA. [Lin, Y.; Held, K.] Harvard Univ, Sch Med, Boston, MA USA. [La Tessa, C.; Rusek, A.] NASA Space Radiat Lab, Brookhaven Natl Lab, Upton, NY USA. NR 0 TC 0 Z9 0 U1 0 U2 4 PU AMER ASSOC PHYSICISTS MEDICINE AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0094-2405 J9 MED PHYS JI Med. Phys. PD JUN PY 2015 VL 42 IS 6 BP 3456 EP 3456 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CL5KH UT WOS:000356998302232 PM 26128191 ER PT J AU Perl, J Villagomez-Bernabe, B Currell, F AF Perl, J. Villagomez-Bernabe, B. Currell, F. TI TOPAS_edu: A Window Into the Stochastic World Through the TOPAS Tool for Particle Simulation SO MEDICAL PHYSICS LA English DT Meeting Abstract CT 57th Annual Meeting and Exhibition of the American-Association-of-Physicists-in-Medicine (AAPM) CY JUL 12-16, 2015 CL Anaheim, CA SP Amer Assoc Physicists Med C1 [Perl, J.] Stanford Linear Accelerator Ctr, Menlo Pk, CA USA. [Villagomez-Bernabe, B.; Currell, F.] Queens Univ Belfast, Belfast, Antrim, North Ireland. FU Engineering and Physical Sciences Research Council [EP/K039342/1] NR 0 TC 0 Z9 0 U1 2 U2 2 PU AMER ASSOC PHYSICISTS MEDICINE AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0094-2405 J9 MED PHYS JI Med. Phys. PD JUN PY 2015 VL 42 IS 6 BP 3557 EP 3557 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CL5KH UT WOS:000356998302637 PM 26128637 ER PT J AU Ready, I Pak, R Mihailescu, L Vetter, K AF Ready, I. Pak, R. Mihailescu, L. Vetter, K. TI A New Aperture-Based Imaging System for Prompt-Gamma Range Verification of Proton Beam Therapy SO MEDICAL PHYSICS LA English DT Meeting Abstract CT 57th Annual Meeting and Exhibition of the American-Association-of-Physicists-in-Medicine (AAPM) CY JUL 12-16, 2015 CL Anaheim, CA SP Amer Assoc Physicists Med C1 [Ready, I.; Pak, R.; Vetter, K.] Univ Calif Berkeley, Berkeley, CA USA. [Mihailescu, L.; Vetter, K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER ASSOC PHYSICISTS MEDICINE AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0094-2405 J9 MED PHYS JI Med. Phys. PD JUN PY 2015 VL 42 IS 6 BP 3678 EP 3678 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CL5KH UT WOS:000356998303316 ER PT J AU Yue, YF Chu, YZ Guo, H AF Yue, Yufei Chu, Yuzhuo Guo, Hong TI Computational Study of Symmetric Methylation on Histone Arginine Catalyzed by Protein Arginine Methyltransferase PRMT5 through QM/MM MD and Free Energy Simulations SO MOLECULES LA English DT Article DE protein arginine methyltransferase (PRMT); symmetric dimethylarginine (SDMA); asymmetric dimethylarginine (ADMA) ID PRODUCT SPECIFICITY; CRYSTAL-STRUCTURE; DYNAMICS; DIMETHYLATION; ARABIDOPSIS; MECHANISM; COMPLEX; BINDING; INSIGHTS; RECEPTOR AB Protein arginine methyltransferases (PRMTs) catalyze the transfer of the methyl group from S-adenosyl-l-methionine (AdoMet) to arginine residues. There are three types of PRMTs (I, II and III) that produce different methylation products, including asymmetric dimethylarginine (ADMA), symmetric dimethylarginine (SDMA) and monomethylarginine (MMA). Since these different methylations can lead to different biological consequences, understanding the origin of product specificity of PRMTs is of considerable interest. In this article, the quantum mechanical/molecular mechanical (QM/MM) molecular dynamics (MD) and free energy simulations are performed to study SDMA catalyzed by the Type II PRMT5 on the basis of experimental observation that the dimethylated product is generated through a distributive fashion. The simulations have identified some important interactions and proton transfers during the catalysis. Similar to the cases involving Type I PRMTs, a conserved Glu residue (Glu435) in PRMT5 is suggested to function as general base catalyst based on the result of the simulations. Moreover, our results show that PRMT5 has an energetic preference for the first methylation on N-1 followed by the second methylation on a different -guanidino nitrogen of arginine (N-2).The first and second methyl transfers are estimated to have free energy barriers of 19-20 and 18-19 kcal/mol respectively. The computer simulations suggest a distinctive catalytic mechanism of symmetric dimethylation that seems to be different from asymmetric dimethylation. C1 [Yue, Yufei; Guo, Hong] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. [Chu, Yuzhuo] Dalian Univ Technol, Sch Life Sci & Biotechnol, Dalian 116024, Peoples R China. [Guo, Hong] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37830 USA. RP Guo, H (reprint author), Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. EM yyue@vols.utk.edu; yzchu@dlut.edu.cn; hguo1@utk.edu FU National Science Foundation [0817940, ACI-1053575] FX We thank Martin Karplus for a gift of the CHARMM program. This work was supported by the National Science Foundation (Grant 0817940 to H.G.). We are also grateful for the computer resources (Newton) from University of Tennessee, Knoxville and from the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1053575. NR 43 TC 4 Z9 5 U1 5 U2 16 PU MDPI AG PI BASEL PA ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND SN 1420-3049 J9 MOLECULES JI Molecules PD JUN PY 2015 VL 20 IS 6 BP 10032 EP 10046 DI 10.3390/molecules200610032 PG 15 WC Chemistry, Organic SC Chemistry GA CM8ZE UT WOS:000357992700034 PM 26035101 ER PT J AU Brandt, RE Stevanovic, V Ginley, DS Buonassisi, T AF Brandt, Riley E. Stevanovic, Vladan Ginley, David S. Buonassisi, Tonio TI Identifying defect-tolerant semiconductors with high minority-carrier lifetimes: beyond hybrid lead halide perovskites SO MRS COMMUNICATIONS LA English DT Article ID SILICON SOLAR-CELLS; PHASE-TRANSITIONS; PHOTOVOLTAIC MATERIALS; AMORPHOUS-SILICON; HIGH-PERFORMANCE; SINGLE-CRYSTALS; DIFFUSION; LENGTHS; FILMS; PHOTOLUMINESCENCE AB The emergence of methyl-ammonium lead halide (MAPbX(3)) perovskites motivates the identification of unique properties giving rise to exceptional bulk transport properties, and identifying future materials with similar properties. Here, we propose that this "defect tolerance" emerges from fundamental electronic-structure properties, including the orbital character of the conduction and valence band extrema, the charge-carrier effective masses, and the static dielectric constant. We use MaterialsProject.org searches and detailed electronic-structure calculations to demonstrate these properties in other materials than MAPbX(3). This framework of materials discovery may be applied more broadly, to accelerate discovery of new semiconductors based on emerging understanding of recent successes. C1 [Brandt, Riley E.; Buonassisi, Tonio] MIT, Cambridge, MA 02139 USA. [Stevanovic, Vladan; Ginley, David S.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Stevanovic, Vladan] Colorado Sch Mines, Golden, CO 80401 USA. RP Brandt, RE (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM rbrandt@alum.mit.edu; buonassisi@mit.edu FU Center for Next Generation Materials by Design (CMGMD), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences FX This work was supported as part of the Center for Next Generation Materials by Design (CMGMD), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. R.E.B. acknowledges an NSF GRFP fellowship. The authors thank R. Jaramillo, R. Chakraborty, V. Steinmann, and R. Kurchin (MIT) as well as S. Lany and A. Zakutayev (NREL) for helpful conversations. NR 95 TC 60 Z9 60 U1 8 U2 64 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 2159-6859 EI 2159-6867 J9 MRS COMMUN JI MRS Commun. PD JUN PY 2015 VL 5 IS 2 BP 265 EP 275 DI 10.1557/mrc.2015.26 PG 11 WC Materials Science, Multidisciplinary SC Materials Science GA CN1AK UT WOS:000358147300016 ER PT J AU Liu, JY Cheng, X Nagarajan, V Xin, HL AF Liu, Jia Yin Cheng, Xuan Nagarajan, Valanoor Xin, Huo Lin TI Understanding growth mechanisms of epitaxial manganese oxide (Mn3O4) nanostructures on strontium titanate (STO) oxide substrates SO MRS COMMUNICATIONS LA English DT Article ID SURFACE; FILMS; NANOCRYSTALS; DIFFUSION; ADATOMS; ISLANDS AB The role of substrate orientation on interface registry and nanocrystal shape has been investigated for epitaxial manganese oxide (Mn3O4) nanocrystals. Mn3O4 (101) nanoplatelets and (112)-orientated nanowires have been successfully deposited on (111) and (110) SrTiO3 (STO) substrates, respectively. Under higher magnifications, the (101) platelets were found to exhibit step-like growth, spiraling outward from a local dislocation site at the Mn3O4-STO interface. Selected area electron diffraction analysis from transmission electron microscope (TEM) was carried out to determine the in-plane edge directionalities of (101) and (112) Mn3O4. We found the (101) Mn3O4 orientation to exhibit a complex in-plane epitaxial relation of [2 (31) over bar](Mn3O4)//[100](STO) and an out-of-plane relation of [(1) over bar 01](Mn3O4)//[(1) over bar 11](STO). Furthermore, lattice misorientations of 58 degrees in-plane and 35 degrees out-of-plane have been calculated, attributed to the shear caused by the spiral growth. For the (112) Mn3O4 nanowires, the TEM diffraction pattern indicates pyramidal cross-sections based along [0 (11) over bar] STO. Subsequent calculations reveal that the (112) nanowires have their long axis (c-axis) such that [001](Mn3O4)//[110](STO). Thus the nanowires grow preferentially along its longest axis giving rise to the observed shape and anisotropic nature. C1 [Liu, Jia Yin; Cheng, Xuan; Nagarajan, Valanoor] Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia. [Xin, Huo Lin] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Nagarajan, V (reprint author), Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia. EM nagarajan@unsw.edu.au RI valanoor, nagarajan/B-4159-2012; Xin, Huolin/E-2747-2010 OI Xin, Huolin/0000-0002-6521-868X FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The TEM data were acquired at Australian Centre for Microscopy & Microanalysis (ACMM) in Sydney University, Australia. The authors specially thank Dr. Hongwei Liu for technical support and Mr. Henry Liu for the crystal structure graphics shown in S1. Research carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 25 TC 1 Z9 1 U1 1 U2 5 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 2159-6859 EI 2159-6867 J9 MRS COMMUN JI MRS Commun. PD JUN PY 2015 VL 5 IS 2 BP 277 EP 284 DI 10.1557/mrc.2015.12 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA CN1AK UT WOS:000358147300017 ER PT J AU Baktash, C Lee, IY AF Baktash, Cyrus Lee, I-Yang TI Juerg Xaver Saladin SO PHYSICS TODAY LA English DT Biographical-Item C1 [Baktash, Cyrus] US DOE, Germantown, MD 20874 USA. [Lee, I-Yang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Baktash, C (reprint author), US DOE, Germantown, MD 20874 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0031-9228 EI 1945-0699 J9 PHYS TODAY JI Phys. Today PD JUN PY 2015 VL 68 IS 6 BP 64 EP 64 DI 10.1063/PT.3.2826 PG 1 WC Physics, Multidisciplinary SC Physics GA CN3JK UT WOS:000358321700019 ER PT J AU Prein, AF Langhans, W Fosser, G Ferrone, A Ban, N Goergen, K Keller, M Tolle, M Gutjahr, O Feser, F Brisson, E Kollet, S Schmidli, J van Lipzig, NPM Leung, R AF Prein, Andreas F. Langhans, Wolfgang Fosser, Giorgia Ferrone, Andrew Ban, Nikolina Goergen, Klaus Keller, Michael Toelle, Merja Gutjahr, Oliver Feser, Frauke Brisson, Erwan Kollet, Stefan Schmidli, Juerg van Lipzig, Nicole P. M. Leung, Ruby TI A review on regional convection-permitting climate modeling: Demonstrations, prospects, and challenges SO REVIEWS OF GEOPHYSICS LA English DT Review DE convection-permitting modeling; added value; climate; cloud resolving; nonhydrostatic modeling; high resolution ID CLOUD-RESOLVING MODEL; NUMERICAL WEATHER PREDICTION; HIGH-RESOLUTION SIMULATIONS; LATERAL BOUNDARY-CONDITIONS; URBAN HEAT-ISLAND; NONHYDROSTATIC ATMOSPHERIC MODEL; MOISTURE-PRECIPITATION FEEDBACK; MADDEN-JULIAN OSCILLATION; TROPICAL CYCLONE ACTIVITY; SPECIAL OBSERVING PERIOD AB Regional climate modeling using convection-permitting models (CPMs; horizontal grid spacing <4km) emerges as a promising framework to provide more reliable climate information on regional to local scales compared to traditionally used large-scale models (LSMs; horizontal grid spacing >10km). CPMs no longer rely on convection parameterization schemes, which had been identified as a major source of errors and uncertainties in LSMs. Moreover, CPMs allow for a more accurate representation of surface and orography fields. The drawback of CPMs is the high demand on computational resources. For this reason, first CPM climate simulations only appeared a decade ago. In this study, we aim to provide a common basis for CPM climate simulations by giving a holistic review of the topic. The most important components in CPMs such as physical parameterizations and dynamical formulations are discussed critically. An overview of weaknesses and an outlook on required future developments is provided. Most importantly, this review presents the consolidated outcome of studies that addressed the added value of CPM climate simulations compared to LSMs. Improvements are evident mostly for climate statistics related to deep convection, mountainous regions, or extreme events. The climate change signals of CPM simulations suggest an increase in flash floods, changes in hail storm characteristics, and reductions in the snowpack over mountains. In conclusion, CPMs are a very promising tool for future climate research. However, coordinated modeling programs are crucially needed to advance parameterizations of unresolved physics and to assess the full potential of CPMs. C1 [Prein, Andreas F.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Prein, Andreas F.] Graz Univ, Wegener Ctr Global & Climate Change WEGC, Graz, Austria. [Langhans, Wolfgang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Fosser, Giorgia] Meteo France CNRS, CNRM GAME, Toulouse, France. [Ferrone, Andrew] Luxembourg Inst Sci & Technol, Environm Res & Innovat Dept, Environm Resource Ctr, Belvaux, Luxembourg. [Ban, Nikolina; Keller, Michael; Schmidli, Juerg] ETH, Inst Atmospher & Climate Sci, Zurich, Switzerland. [Goergen, Klaus] Univ Bonn, Meteorol Inst, Bonn, Germany. [Goergen, Klaus] Res Ctr Julich, Julich Supercomp Ctr, Julich, Germany. [Goergen, Klaus; Kollet, Stefan] ABC J Geoverbund, Ctr High Performance Sci Comp Terr Syst, Julich, Germany. [Keller, Michael; Schmidli, Juerg] ETH, Ctr Climate Syst Modeling, Zurich, Switzerland. [Toelle, Merja] Univ Giessen, Inst Geog, D-35390 Giessen, Germany. [Gutjahr, Oliver] Univ Trier, Dept Environm Meteorol, Reg & Environm Sci, Trier, Germany. [Feser, Frauke] Helmholtz Zentrum Geesthacht Ctr Mat & Coastal Re, Inst Coastal Res, Geesthacht, Germany. [Brisson, Erwan] Goethe Univ Frankfurt, Inst Atmosphare & Umwelt, D-60054 Frankfurt, Germany. [Kollet, Stefan] Res Ctr Julich, Agrosphere IBG 3, Julich, Germany. [van Lipzig, Nicole P. M.] Katholieke Univ Leuven, Dept Earth & Environm Sci, Leuven, Belgium. [Leung, Ruby] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Prein, AF (reprint author), Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. EM prein@ucar.edu RI Langhans, Wolfgang/J-6437-2014; Langhans, Wolfgang/C-4073-2016; Feser, Frauke/C-1605-2014; Goergen, Klaus/A-4655-2017; Schmidli, Juerg/G-9282-2012 OI Feser, Frauke/0000-0002-0252-468X; Goergen, Klaus/0000-0002-4208-3444; Schmidli, Juerg/0000-0002-6322-6512 FU NHCM-2 - Austrian Science Fund (FWF) [P24758-N29]; HighEnd: Extremes project - Austrian Climate Research Program (ACRP) [KR13AC6K10981]; National Research Fund of Luxembourg [FNR C09/SR/16]; U.S. Department of Energy Office of Science Biological and Environmental Research; U.S. Department of Energy [DE-AC05-76RLO1830]; National Science Foundation FX Part of this work was supported by the NHCM-2 project funded by the Austrian Science Fund (FWF; project P24758-N29) and the HighEnd: Extremes project funded by the Austrian Climate Research Program (ACRP; project KR13AC6K10981). COSMO-CLM data for domain i (see Table 1) were taken from the CLIMPACT Project funded by the National Research Fund of Luxembourg through grant FNR C09/SR/16. Leung is supported by the U.S. Department of Energy Office of Science Biological and Environmental Research as part of the Regional and Global Climate Modeling Program. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy under contract DE-AC05-76RLO1830. NCAR is funded by the National Science Foundation. The data sets included in this study can be accessed by contacting the lead authors of the corresponding publications. NR 383 TC 47 Z9 47 U1 15 U2 53 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 8755-1209 EI 1944-9208 J9 REV GEOPHYS JI Rev. Geophys. PD JUN PY 2015 VL 53 IS 2 BP 323 EP 361 DI 10.1002/2014RG000475 PG 39 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CN3JO UT WOS:000358322200005 ER PT J AU Yin, WJ Chen, HY Shi, TT Wei, SH Yan, YF AF Yin, Wan-Jian Chen, Hangyan Shi, Tingting Wei, Su-Huai Yan, Yanfa TI Origin of High Electronic Quality in Structurally Disordered CH3NH3PbI3 and the Passivation Effect of Cl and O at Grain Boundaries SO ADVANCED ELECTRONIC MATERIALS LA English DT Article ID PEROVSKITE SOLAR-CELLS; METHYLAMMONIUM LEAD IODIDE; ORGANOMETAL HALIDE PEROVSKITES; DEVICE EFFICIENCY; SINGLE-CRYSTALS; CHLORIDE; PERFORMANCE; LIGHT; TRANSPORT; 1ST-PRINCIPLES AB The organic-inorganic hybrid perovskite CH3NH3PbI3 exhibits more structural disorder but more electronic order compared to inorganic CdTe. The grain boundaries of CH3NH3PbI3 could induce defect levels around the VBM and thus increase hole effective mass. CI and O are found to be able to spontaneously segregate into the GBs, passivate the defect state, and improve carrier transportation. C1 [Yin, Wan-Jian; Shi, Tingting; Yan, Yanfa] Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA. [Yin, Wan-Jian; Shi, Tingting; Yan, Yanfa] Univ Toledo, Wright Ctr Photovolta Innovat & Commercializat, Toledo, OH 43606 USA. [Yin, Wan-Jian; Wei, Su-Huai] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Chen, Hangyan] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15213 USA. RP Yin, WJ (reprint author), Univ Toledo, Dept Phys & Astron, Toledo, OH 43606 USA. EM yinwanjian@gmail.com; swei@nrel.gov; yanfa.yan@utoledo.edu RI Yin, Wanjian/F-6738-2013 FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy [DE-AC36-08GO28308]; Ohio Research Scholar Program FX This research used the resources of the Ohio Supercomputer Center and the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Work at NREL was supported by the U.S. Department of Energy under Contract No. DE-AC36-08GO28308. Y.Y. acknowledges the support of the Ohio Research Scholar Program. NR 57 TC 25 Z9 26 U1 13 U2 69 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 2199-160X J9 ADV ELECTRON MATER JI Adv. Electron. Mater. PD JUN PY 2015 VL 1 IS 6 AR 1500044 DI 10.1002/aelm.201500044 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CM4LS UT WOS:000357656700008 ER PT J AU Durham, JM Guardincerri, E Morris, CL Bacon, J Fabritius, J Fellows, S Poulson, D Plaud-Ramos, K Renshaw, J AF Durham, J. M. Guardincerri, E. Morris, C. L. Bacon, J. Fabritius, J. Fellows, S. Poulson, D. Plaud-Ramos, K. Renshaw, J. TI Tests of cosmic ray radiography for power industry applications SO AIP ADVANCES LA English DT Article ID MUONS AB In this report, we assess muon multiple scattering tomography as a non-destructive inspection technique in several typical areas of interest to the nuclear power industry, including monitoring concrete degradation, gate valve conditions, and pipe wall thickness. This work is motivated by the need for imaging methods that do not require the licensing, training, and safety controls of x-rays, and by the need to be able to penetrate considerable overburden to examine internal details of components that are otherwise inaccessible, with minimum impact on industrial operations. In some scenarios, we find that muon tomography may be an attractive alternative to more typical measurements. (C) 2015 Author(s). C1 [Durham, J. M.; Guardincerri, E.; Morris, C. L.; Bacon, J.; Fabritius, J.; Fellows, S.; Poulson, D.; Plaud-Ramos, K.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Renshaw, J.] Elect Power Res Inst, Charlotte, NC 28262 USA. RP Durham, JM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM durham@lanl.gov OI Durham, J. Matthew/0000-0002-5831-3398; Morris, Christopher/0000-0003-2141-0255 FU U.S. Department of Energy [DE-AC5206NA25396]; Decision Sciences International Corporation; Toshiba Corporation FX This work was performed under the auspices of the U.S. Department of Energy under Contract DE-AC5206NA25396. This work was supported in part by Decision Sciences International Corporation and in part by Toshiba Corporation. NR 11 TC 2 Z9 2 U1 2 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2158-3226 J9 AIP ADV JI AIP Adv. PD JUN PY 2015 VL 5 IS 6 AR 067111 DI 10.1063/1.4922006 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CM3TS UT WOS:000357608000011 ER PT J AU Qin, W Lu, WC Xia, LH Zhao, LZ Zang, QJ Wang, CZ Ho, KM AF Qin, Wei Lu, Wen-Cai Xia, Lin-Hua Zhao, Li-Zhen Zang, Qing-Jun Wang, C. Z. Ho, K. M. TI Structures and stability of metal-doped GenM (n=9, 10) clusters SO AIP ADVANCES LA English DT Article ID CAGE CLUSTERS; SI; SN; ATOM; PB AB The lowest-energy structures of neutral and cationic GenM (n = 9, 10; M = Si, Li, Mg, Al, Fe, Mn, Pb, Au, Ag, Yb, Pm and Dy) clusters were studied by genetic algorithm (GA) and first-principles calculations. The calculation results show that doping of the metal atoms and Si into Ge-9 and Ge-10 clusters is energetically favorable. Most of the metal-doped Ge cluster structures can be viewed as adding or substituting metal atom on the surface of the corresponding ground-state Ge-n clusters. However, the neutral and cationic FeGe9,10, MnGe9,10 and Ge10Al are cage-like with the metal atom encapsulated inside. Such cage-like transition metal doped Ge-n clusters are shown to have higher adsorption energy and thermal stability. Our calculation results suggest that Ge9,10Fe and Ge9Si would be used as building blocks in cluster-assembled nanomaterials because of their high stabilities. (C) 2015 Author(s). C1 [Qin, Wei; Lu, Wen-Cai; Xia, Lin-Hua; Zhao, Li-Zhen; Zang, Qing-Jun] Qingdao Univ, Growing Base State Key Lab, Lab Fiber Mat & Modern Text, Qingdao 266071, Shandong, Peoples R China. [Qin, Wei; Lu, Wen-Cai; Xia, Lin-Hua; Zhao, Li-Zhen; Zang, Qing-Jun] Qingdao Univ, Coll Phys, Qingdao 266071, Shandong, Peoples R China. Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130021, Jilin, Peoples R China. [Wang, C. Z.; Ho, K. M.] US DOE, Dept Phys, Ames, IA 50011 USA. [Wang, C. Z.; Ho, K. M.] US DOE, Astron & Ames Lab, Ames, IA 50011 USA. RP Qin, W (reprint author), Qingdao Univ, Growing Base State Key Lab, Lab Fiber Mat & Modern Text, Qingdao 266071, Shandong, Peoples R China. EM qinw@qdu.edu.cn FU China Postdoctoral Science Foundation [2014M561-885]; Postdoctoral Application Research Program of Qingdao of China; National Natural Science Foundation of China [21273122, 21203105]; U.S. Department of Energy [DE-AC02-07CH11358] FX This work was supported by the China Postdoctoral Science Foundation (Grant No. 2014M561-885), the Postdoctoral Application Research Program of Qingdao of China and the National Natural Science Foundation of China (Grant No. 21273122). Li-Zhen Zhao acknowledges the support by the National Natural Science Foundation of China (Grant No. 21203105). Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. This work was also supported by the Director for Energy Research, Office of Basic Energy Sciences including a grant of computer time at the National Energy Research Supercomputing Center (NERSC) in Berkeley. NR 34 TC 0 Z9 0 U1 1 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2158-3226 J9 AIP ADV JI AIP Adv. PD JUN PY 2015 VL 5 IS 6 AR 067159 DI 10.1063/1.4923316 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CM3TS UT WOS:000357608000059 ER PT J AU Christian, TM Beaton, DA Alberi, K Fluegel, B Mascarenhas, A AF Christian, Theresa M. Beaton, Daniel A. Alberi, Kirstin Fluegel, Brian Mascarenhas, Angelo TI Mysterious absence of pair luminescence in gallium phosphide bismide SO APPLIED PHYSICS EXPRESS LA English DT Article ID ISOELECTRONIC TRAPS; GAP-N; PHOTOLUMINESCENCE; BISMUTH; GROWTH; BAND; SEMICONDUCTORS; GAAS1-XBIX; NITROGEN; ALLOYS AB Gallium phosphide bismide (GaP1-xBix) epilayers with x up to 1.0% were grown via molecular beam epitaxy and their photoluminescence spectra were investigated at low temperatures. Surprisingly, the emission spectrum of the GaP1-xBix epilayers was fully described by isolated bismuth-bound exciton recombination at the A and B lines (2.232 and 2.229 eV, respectively) together with their phonon replicas, without a need for any description of recombination from bismuth pair or cluster states. These observations contrast with the typical behavior of energy transfer to lower-lying nitrogen pair states in GaP1-yBiy at similar impurity concentrations and offer insights into the electronic structure evolution of GaP1-xBix. (C) 2015 The Japan Society of Applied Physics C1 [Christian, Theresa M.] Univ Colorado, Boulder, CO 80305 USA. [Christian, Theresa M.; Beaton, Daniel A.; Alberi, Kirstin; Fluegel, Brian; Mascarenhas, Angelo] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Christian, TM (reprint author), Univ Colorado, Boulder, CO 80305 USA. FU Department of Energy Office of Science, Basic Energy Sciences [DE-AC36-OSGO-28308]; National Renewable Energy Laboratory LDRD program [06591301]; Department of Energy Office of Science Graduate Fellowship Program (DOE SCGF) [DEAC05-06OR23100] FX The authors gratefully acknowledge helpful discussions with Yong Zhang. This research was supported by the Department of Energy Office of Science, Basic Energy Sciences, under DE-AC36-OSGO-28308 (spectroscopy) and by the National Renewable Energy Laboratory LDRD program under award 06591301 (growth development). TC acknowledges support 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 control No. DEAC05-06OR23100. NR 26 TC 2 Z9 2 U1 1 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1882-0778 EI 1882-0786 J9 APPL PHYS EXPRESS JI Appl. Phys. Express PD JUN PY 2015 VL 8 IS 6 AR 061202 DI 10.7567/APEX.8.061202 PG 4 WC Physics, Applied SC Physics GA CM9ZS UT WOS:000358071400008 ER PT J AU Wierer, JJ Allerman, AA Skogen, EJ Tauke-Pedretti, A Vawter, GA Montano, I AF Wierer, Jonathan J., Jr. Allerman, Andrew A. Skogen, Erik J. Tauke-Pedretti, Anna Vawter, Gregory A. Montano, Ines TI Selective layer disordering in intersubband Al0.028Ga0.972N/AlN superlattices with silicon nitride capping layer SO APPLIED PHYSICS EXPRESS LA English DT Article ID ALGAN/GAN QUANTUM-WELLS; MU-M; TRANSITION; DIFFUSION; LASERS; SEMICONDUCTORS; MODULATION AB Selective layer disordering in an intersubband Al0.028Ga0.972N/AlN superlattice using a silicon nitride (SiNx) capping layer is demonstrated. The SiNx capped superlattice exhibits suppressed layer disordering under high-temperature annealing. Additionally, the rate of layer disordering is reduced with increased SiNx thickness. The layer disordering is caused by Si diffusion, and the SiNx layer inhibits vacancy formation at the crystal surface and ultimately, the movement of Al and Ga atoms across the heterointerfaces. Patterning of the SiNx layer results in selective layer disordering, an attractive method to integrate active and passive III-nitride-based intersubband devices. (C) 2015 The Japan Society of Applied Physics C1 [Wierer, Jonathan J., Jr.; Allerman, Andrew A.; Skogen, Erik J.; Tauke-Pedretti, Anna; Vawter, Gregory A.; Montano, Ines] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wierer, JJ (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA. EM jwierer@sandia.gov RI Wierer, Jonathan/G-1594-2013 OI Wierer, Jonathan/0000-0001-6971-4835 FU Sandia National Laboratories Laboratory Directed Research and Development program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank F. Cajas for the waveguide preparation. This work is fund by the Sandia National Laboratories Laboratory Directed Research and Development 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. NR 32 TC 0 Z9 0 U1 1 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1882-0778 EI 1882-0786 J9 APPL PHYS EXPRESS JI Appl. Phys. Express PD JUN PY 2015 VL 8 IS 6 AR 061004 DI 10.7567/APEX.8.061004 PG 4 WC Physics, Applied SC Physics GA CM9ZS UT WOS:000358071400004 ER PT J AU Covino, S Baglio, MC Foschini, L Sandrinelli, A Tavecchio, F Treves, A Zhang, H de Almeida, UB Bonnoli, G Bottcher, M Cecconi, M D'Ammando, F di Fabrizio, L Giarrusso, M Leone, F Lindfors, E Lorenzi, V Molinari, E Paiano, S Prandini, E Raiteri, CM Stamerra, A Tagliaferri, G AF Covino, S. Baglio, M. C. Foschini, L. Sandrinelli, A. Tavecchio, F. Treves, A. Zhang, H. de Almeida, U. Barres Bonnoli, G. Boettcher, M. Cecconi, M. D'Ammando, F. di Fabrizio, L. Giarrusso, M. Leone, F. Lindfors, E. Lorenzi, V. Molinari, E. Paiano, S. Prandini, E. Raiteri, C. M. Stamerra, A. Tagliaferri, G. TI Short timescale photometric and polarimetric behavior of two BL Lacertae type objects SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE BL Lacertae objects: individual: PKS 1424+240 ID ACTIVE GALACTIC NUCLEI; MULTIBAND OPTICAL POLARIMETRY; GAMMA-RAY EMISSION; BLAZAR S5 0716+71; LONG-TERM; POLARIZATION VARIABILITY; INTRADAY VARIABILITY; PARTICLE-ACCELERATION; HOST GALAXIES; NASMYTH FOCUS AB Context. Blazars are astrophysical sources whose emission is dominated by non-thermal processes, i.e. synchrotron and inverse Compton emission. Although the general picture is rather robust and consistent with observations, many aspects are still unexplored. Aims. Polarimetric monitoring can off er a wealth of information about the physical processes in blazars. Models with largely different physical ingredients can provide almost indistinguishable predictions for the total flux, but usually are characterized by different polarization properties. We explore the possibility to derive structural information about the emitting regions of blazars by means of a joint analysis of rapid variability of the total and polarized flux at optical wavelengths. Methods. Short timescale (from tens of seconds to a couple of minutes) optical linear polarimetry and photometry for two blazars, BL Lacertae and PKS 1424+240, was carried out with the PAOLO polarimeter at the 3.6 m Telescopio Nazionale Galileo. Several hours of almost continuous observations were obtained for both sources. Results. Our intense monitoring allowed us to draw different scenarios for BL Lacertae and PKS 1424+240, with the former characterized by intense variability and the latter practically constant in total flux. Essentially the same behavior is observed for the polarized flux and the position angle. The variability time-scales turned out to be as short as a few minutes, although involving only a few percent variation of the flux. The polarization variability time-scale is generally consistent with the total flux variability. Total and polarized flux appear to be essentially uncorrelated. However, even during our relatively short monitoring, different regimes can be singled out. Conclusions. No simple scenario is able to satisfactorily model the very rich phenomenology exhibited in our data. Detailed numerical simulations show that the emitting region should be characterized by some symmetry, and the inclusion of turbulence for the magnetic field may constitute the missing ingredient for a more complete interpretation of the data. C1 [Covino, S.; Baglio, M. C.; Foschini, L.; Sandrinelli, A.; Tavecchio, F.; Bonnoli, G.; Tagliaferri, G.] INAF, Osserv Astron Brera, I-23807 Merate, Lc, Italy. [Baglio, M. C.; Sandrinelli, A.; Treves, A.] Univ Insubria, I-22100 Como, Italy. [Treves, A.] Univ Milano Bicocca, INFN Milano Bicocca, I-20126 Milan, Italy. [de Almeida, U. Barres] Ctr Brasileiro Pesquisas Fis, BR-22290180 Rio De Janeiro, Brazil. [Zhang, H.; Boettcher, M.] Ohio Univ, Inst Astrophys, Dept Phys & Astron, Athens, OH 45701 USA. [Zhang, H.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Boettcher, M.] North West Univ, Ctr Space Res, ZA-2531 Potchefstroom, South Africa. [Boettcher, M.; di Fabrizio, L.; Lorenzi, V.; Molinari, E.] INAF, Fund Galileo Galilei, Canary Islands 38712, La Palma, Spain. [D'Ammando, F.] INAF, Ist Radioastron, I-40129 Bologna, Italy. [D'Ammando, F.] Univ Bologna, DIFA, I-40127 Bologna, Italy. [Giarrusso, M.; Leone, F.] Univ Catania, Dipartimento Fis & Astron, I-9512 Catania, Italy. [Lindfors, E.] Univ Turku, Turunyliopisto 20014, Finland. [Lindfors, E.] Univ Oulu, Dept Phys, Turunyliopisto 20014, Finland. [Molinari, E.] INAF, Ist Astrofis Spaziale & Fis Cosm Milano, I-20133 Milan, Italy. [Paiano, S.] Univ Padua, I-35131 Padua, Italy. [Paiano, S.] INFN, I-35131 Padua, Italy. [Prandini, E.] Univ Geneva, ISDC, CH-1290 Versoix, Switzerland. [Raiteri, C. M.; Stamerra, A.] INAF, Osserv Astrofis Torino, I-10025 Pino Torinese, Italy. RP Covino, S (reprint author), INAF, Osserv Astron Brera, Via Bianchi 46, I-23807 Merate, Lc, Italy. EM stefano.covino@brera.inaf.it OI Molinari, Emilio/0000-0002-1742-7735; Raiteri, Claudia Maria/0000-0003-1784-2784; Foschini, Luigi/0000-0001-8678-0324; Covino, Stefano/0000-0001-9078-5507; Baglio, Maria Cristina/0000-0003-1285-4057; Bonnoli, Giacomo/0000-0003-2464-9077; Stamerra, Antonio/0000-0002-9430-5264; Prandini, Elisa/0000-0003-4502-9053 FU ASI [I/004/11/0]; LANL/LDRD program; DoE/Office of Fusion Energy Science through CMSO; National Research Foundation of South Africa through the South African Research Chair Initiative (SARChI) FX This work has been supported by ASI grant I/004/11/0. H.Z. is supported by the LANL/LDRD program and by DoE/Office of Fusion Energy Science through CMSO. Simulations were conducted on LANL's Institutional Computing machines. The work of M.B. is supported by the Department and Technology and the National Research Foundation of South Africa through the South African Research Chair Initiative (SARChI). We also thank the anonymous referee for her/his competent comments that greatly enhanced the quality of the paper. NR 81 TC 3 Z9 3 U1 1 U2 1 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 EI 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JUN PY 2015 VL 578 AR A68 DI 10.1051/0004-6361/201525674 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CM2IF UT WOS:000357502600080 ER PT J AU Durret, F Adami, C Bertin, E Hao, J Marquez, I Martinet, N Maurogordato, S Sauvaget, T Scepi, N Takey, A Ulmer, MP AF Durret, F. Adami, C. Bertin, E. Hao, J. Marquez, I. Martinet, N. Maurogordato, S. Sauvaget, T. Scepi, N. Takey, A. Ulmer, M. P. TI Galaxy clusters in the SDSS Stripe 82 based on photometric redshifts SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE galaxies: clusters: general; galaxies: luminosity function, mass function; galaxies: fundamental parameters ID MORPHOLOGY-DENSITY RELATION; ARCHIVE-RESEARCH SURVEY; CFHTLS DEEP; LEGACY SURVEY; CATALOG; FIELD; SEXTRACTOR; ALGORITHM; EVOLUTION; IMAGES AB Context. The discovery of new galaxy clusters is important for two reasons. First, clusters are interesting per se, since their detailed analysis allows us to understand how galaxies form and evolve in various environments and second, they play an important part in cosmology because their number as a function of redshift gives constraints on cosmological parameters. Aims. We have searched for galaxy clusters in the Stripe 82 region of the Sloan Digital Sky Survey, and analysed various properties of the cluster galaxies. Methods. Based on a recent photometric redshift (hereafter photo-z) galaxy catalogue, we built a cluster catalogue by applying the Adami & MAzure Cluster FInder (AMACFI). Extensive tests were made to fine-tune the AMACFI parameters and make the cluster detection as reliable as possible. The same method was applied to the Millennium simulation to estimate our detection efficiency and the approximate masses of the detected clusters. Considering all the cluster galaxies (i.e. within a 1 Mpc radius of the cluster to which they belong and with a photo-z differing by less than 0.05 from that of the cluster), we stacked clusters in various redshift bins to derive colour magnitude diagrams and galaxy luminosity functions (GLFs). For each galaxy brighter than M-r < -19.0, we computed the disk and spheroid components by applying SExtractor, and by stacking clusters we determined how the disk-to-spheroid flux ratio varies with cluster redshift and mass. Results. We detected 3663 clusters in the redshift range 0.15 <= z <= 0.70, with estimated mean masses between similar to 10(13) and a few 10(14) M-circle dot. We cross-matched our catalogue of candidate clusters with various catalogues extracted from optical and/or X-ray data. The percentages of redetected clusters are at most 40% because in all cases we detect relatively massive clusters, while other authors detect less massive structures. By stacking the cluster galaxies in various redshift bins, we find a clear red sequence in the (g' - r') versus r' colour magnitude diagrams, and the GLFs are typical of clusters, though with a possible contamination from field galaxies. The morphological analysis of the cluster galaxies shows that the fraction of late-type to early-type galaxies shows an increase with redshift (particularly in 9 sigma clusters) and a decrease with detection level, i.e. cluster mass. Conclusions. From the properties of the cluster galaxies, the majority of the candidate clusters detected here seem to be real clusters with typical cluster properties. C1 [Durret, F.; Bertin, E.; Marquez, I.; Maurogordato, S.; Sauvaget, T.] UPMC, CNRS, UMR 7095, Inst Astrophys Paris, F-75014 Paris, France. [Adami, C.] OAMP, LAM, F-13388 Marseille 13, France. [Hao, J.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Marquez, I.] CSIC, Inst Astrofis Andalucia, E-18008 Granada, Spain. [Maurogordato, S.] Cassiopee, OCA, F-06304 Nice 4, France. [Sauvaget, T.] Observ Paris, GEPI, F-92195 Meudon, France. [Sauvaget, T.; Ulmer, M. P.] Northwestern Univ, Dept Phys & Astron, CIREA, Evanston, IL 60208 USA. [Scepi, N.] ENS, F-94235 Cachan, France. [Takey, A.] NRIAG, Helwan 11421, Cairo, Egypt. RP Durret, F (reprint author), UPMC, CNRS, UMR 7095, Inst Astrophys Paris, 98bis Bd Arago, F-75014 Paris, France. EM durret@iap.fr RI Marquez, Isabel/A-1248-2009; OI Marquez Perez, Isabel/0000-0003-2629-1945 FU Spanish grants [AYA2010-15169, AYA2013-42227-P]; Junta de Andalucia [TIC-114]; Junta de Andalucia through Excellence Project [P08-TIC-03531]; Alfred P. Sloan Foundation; National Science Foundation; US Department of Energy Office of Science; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; 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 F.D. acknowledges long-term support from CNES. I.M. acknowledges financial support from the Spanish grants AYA2010-15169 and AYA2013-42227-P and from the Junta de Andalucia through TIC-114 and the Excellence Project P08-TIC-03531. A.T. acknowledges the support and the hospitality of IAP/CNRS for two one month visits. We are grateful to Andrea Biviano for giving us his IDL program to fit GLFs with a Schechter function and to Alberto Cappi for discussions. We thank the six high school students M.A. Garcia Valverde, B. Hernandez Ramos, J. Leon Lovell, L. Martinez Sanchez de Lara, J. Rodriguez Zamorano and L. Vallecillos Azor for their careful eye classification of about 1000 galaxies. 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 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, 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 48 TC 4 Z9 4 U1 0 U2 1 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 EI 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JUN PY 2015 VL 578 AR A79 DI 10.1051/0004-6361/201425293 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CM2IF UT WOS:000357502600091 ER PT J AU Feindt, U Kerschhaggl, M Kowalski, M Aldering, G Antilogus, P Aragon, C Bailey, S Baltay, C Bongard, S Buton, C Canto, A Cellier-Holzem, F Childress, M Chotard, N Copin, Y Fakhouri, HK Gangler, E Guy, J Kim, A Nugent, P Nordin, J Paech, K Pain, R Pecontal, E Pereira, R Perlmutter, S Rabinowitz, D Rigault, M Runge, K Saunders, C Scalzo, R Smadja, G Tao, C Thomas, RC Weaver, BA Wu, C AF Feindt, U. Kerschhaggl, M. Kowalski, M. Aldering, G. Antilogus, P. Aragon, C. Bailey, S. Baltay, C. Bongard, S. Buton, C. Canto, A. Cellier-Holzem, F. Childress, M. Chotard, N. Copin, Y. Fakhouri, H. K. Gangler, E. Guy, J. Kim, A. Nugent, P. Nordin, J. Paech, K. Pain, R. Pecontal, E. Pereira, R. Perlmutter, S. Rabinowitz, D. Rigault, M. Runge, K. Saunders, C. Scalzo, R. Smadja, G. Tao, C. Thomas, R. C. Weaver, B. A. Wu, C. TI Measuring cosmic bulk flows with Type Ia supernovae from the Nearby Supernova Factory (vol 560, A90, 2013) SO ASTRONOMY & ASTROPHYSICS LA English DT Correction DE cosmology: observations; cosmological parameters; large-scale structure of Universe; supernovae: general; errata,addenda C1 [Feindt, U.; Kowalski, M.; Nordin, J.; Rigault, M.] Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. [Feindt, U.; Kerschhaggl, M.; Buton, C.; Paech, K.] Univ Bonn, Inst Phys, D-53115 Bonn, Germany. [Aldering, G.; Aragon, C.; Bailey, S.; Fakhouri, H. K.; Kim, A.; Perlmutter, S.; Runge, K.; Saunders, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Antilogus, P.; Bongard, S.; Canto, A.; Cellier-Holzem, F.; Guy, J.; Pain, R.; Wu, C.] Univ Paris 07, Univ Paris 06, CNRS IN2P3, Lab Phys Nucl & Hautes Energies, F-75252 Paris 05, France. [Baltay, C.; Rabinowitz, D.] Yale Univ, Dept Phys, New Haven, CT 06250 USA. [Childress, M.; Scalzo, R.] Australian Natl Univ, Res Sch Astron & Astrophys, Canberra, ACT 2611, Australia. [Chotard, N.; Copin, Y.; Gangler, E.; Pereira, R.; Smadja, G.] Univ Lyon, F-69622 Lyon, France. [Chotard, N.; Copin, Y.; Perlmutter, S.] Univ Lyon 1, CNRS IN2P3, Inst Phys Nucl Lyon, F-69622 Lyon, France. [Fakhouri, H. K.; Thomas, R. C.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Nugent, P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Nugent, P.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Pecontal, E.] Univ Lyon 1, Ctr Rech Astron Lyon, F-69561 St Genis Laval, France. [Tao, C.] Ctr Phys Particules Marseille, F-13288 Marseille 09, France. [Tao, C.] Tsinghua Univ, Tsinghua Ctr Astrophys, Beijing 100084, Peoples R China. [Weaver, B. A.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [Wu, C.] Chinese Acad Sci, Natl Astron Observ, Beijing 100012, Peoples R China. RP Feindt, U (reprint author), Humboldt Univ, Inst Phys, Newtonstr 15, D-12489 Berlin, Germany. EM feindt@physik.hu-berlin.de; mkersch@physik.uni-bonn.de NR 1 TC 0 Z9 0 U1 0 U2 1 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 EI 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JUN PY 2015 VL 578 AR C1 DI 10.1051/0004-6361/201321880e PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CM2IF UT WOS:000357502600001 ER PT J AU Hsiao, EY Burns, CR Contreras, C Hoflich, P Sand, D Marion, GH Phillips, MM Stritzinger, M Gonzalez-Gaitan, S Mason, RE Folatelli, G Parent, E Gall, C Amanullah, R Anupama, GC Arcavi, I Banerjee, DPK Beletsky, Y Blanc, GA Bloom, JS Brown, PJ Campillay, A Cao, Y De Cia, A Diamond, T Freedman, WL Gonzalez, C Goobar, A Holmbo, S Howell, DA Johansson, J Kasliwal, MM Kirshner, RP Krisciunas, K Kulkarni, SR Maguire, K Milne, PA Morrell, N Nugent, PE Ofek, EO Osip, D Palunas, P Perley, DA Persson, SE Piro, AL Rabus, M Roth, M Schiefelbein, JM Srivastav, S Sullivan, M Suntzeff, NB Surace, J Wozniak, PR Yaron, O AF Hsiao, E. Y. Burns, C. R. Contreras, C. Hoeflich, P. Sand, D. Marion, G. H. Phillips, M. M. Stritzinger, M. Gonzalez-Gaitan, S. Mason, R. E. Folatelli, G. Parent, E. Gall, C. Amanullah, R. Anupama, G. C. Arcavi, I. Banerjee, D. P. K. Beletsky, Y. Blanc, G. A. Bloom, J. S. Brown, P. J. Campillay, A. Cao, Y. De Cia, A. Diamond, T. Freedman, W. L. Gonzalez, C. Goobar, A. Holmbo, S. Howell, D. A. Johansson, J. Kasliwal, M. M. Kirshner, R. P. Krisciunas, K. Kulkarni, S. R. Maguire, K. Milne, P. A. Morrell, N. Nugent, P. E. Ofek, E. O. Osip, D. Palunas, P. Perley, D. A. Persson, S. E. Piro, A. L. Rabus, M. Roth, M. Schiefelbein, J. M. Srivastav, S. Sullivan, M. Suntzeff, N. B. Surace, J. Wozniak, P. R. Yaron, O. TI Strong near-infrared carbon in the Type Ia supernova iPTF13ebh SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE infrared: general; supernovae: general; supernovae: individual: iPTF13ebh ID PHOTOMETRY DATA RELEASE; HUBBLE-SPACE-TELESCOPE; HIGH-VELOCITY FEATURES; TIME OPTICAL-SPECTRA; WHITE-DWARF STAR; LIGHT CURVES; SN 2014J; MAXIMUM-LIGHT; THERMONUCLEAR SUPERNOVAE; FACTORY OBSERVATIONS AB We present near-infrared (NIR) time-series spectroscopy, as well as complementary ultraviolet (UV), optical, and NIR data, of the Type Ia supernova (SN Ia) iPTF13ebh, which was discovered within two days from the estimated time of explosion. The first NIR spectrum was taken merely 2 : 3 days after explosion and may be the earliest NIR spectrum yet obtained of a SN Ia. The most striking features in the spectrum are several NIR C I lines, and the C I lambda 1.0693 mu m line is the strongest ever observed in a SN Ia. Interestingly, no strong optical C II counterparts were found, even though the optical spectroscopic time series began early and is densely cadenced. Except at the very early epochs, within a few days from the time of explosion, we show that the strong NIR C I compared to the weaker optical C II appears to be general in SNe Ia. iPTF13ebh is a fast decliner with Delta m(15)(B) = 1.79 +/- 0.01, and its absolute magnitude obeys the linear part of the width-luminosity relation. It is therefore categorized as a "transitional" event, on the fast-declining end of normal SNe Ia as opposed to subluminous/91bg-like objects. iPTF13ebh shows NIR spectroscopic properties that are distinct from both the normal and subluminous/91bg-like classes, bridging the observed characteristics of the two classes. These NIR observations suggest that composition and density of the inner core are similar to that of 91bg-like events, and that it has a deep-reaching carbon burning layer that is not observed in more slowly declining SNe Ia. There is also a substantial difference between the explosion times inferred from the early-time light curve and the velocity evolution of the Si II lambda 0.6355 mu m line, implying a long dark phase of similar to 4 days. C1 [Hsiao, E. Y.; Contreras, C.; Stritzinger, M.; Gall, C.; Holmbo, S.] Aarhus Univ, Dept Phys & Astron, DK-8000 Aarhus C, Denmark. [Hsiao, E. Y.; Contreras, C.; Phillips, M. M.; Beletsky, Y.; Campillay, A.; Gonzalez, C.; Morrell, N.; Osip, D.; Palunas, P.; Roth, M.] Campanas Observ, Carnegie Observ, Colina El Pino, Chile. [Burns, C. R.; Blanc, G. A.; Freedman, W. L.; Kasliwal, M. M.; Persson, S. E.; Piro, A. L.] Carnegie Observ, Pasadena, CA 91101 USA. [Hoeflich, P.; Diamond, T.] Florida State Univ, Tallahassee, FL 32306 USA. [Sand, D.] Texas Tech Univ, Dept Phys, Lubbock, TX 79409 USA. [Marion, G. H.] Univ Texas Austin, Austin, TX 78712 USA. [Marion, G. H.; Kirshner, R. P.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Gonzalez-Gaitan, S.] Millennium Inst Astrophys, Santiago, Chile. [Gonzalez-Gaitan, S.; Blanc, G. A.] Univ Chile, Dept Astron, Santiago, Chile. [Mason, R. E.] Northern Operat Ctr, Gemini Observ, Hilo, HI 96720 USA. [Folatelli, G.] CCT CONICET UNLP, IALP, La Plata, Buenos Aires, Argentina. [Folatelli, G.] Univ Tokyo, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba 2778583, Japan. [Parent, E.] Bishops Univ, Dept Phys, Sherbrooke, PQ J1M 1Z7, Canada. [Gall, C.] Univ Copenhagen, Niels Bohr Inst, Dark Cosmol Ctr, DK-2100 Copenhagen, Denmark. [Amanullah, R.; Goobar, A.; Johansson, J.] Stockholm Univ, Dept Phys, Oskar Klein Ctr, Albanova Univ Ctr, S-10691 Stockholm, Sweden. [Anupama, G. C.; Srivastav, S.] Indian Inst Astrophys, Bangalore 560034, Karnataka, India. [Arcavi, I.; Howell, D. A.] Cumbres Observ Global Telescope Network, Goleta, CA 93117 USA. [Arcavi, I.; Howell, D. A.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Banerjee, D. P. K.] Phys Res Lab, Astron & Astrophys Div, Ahmadabad 380009, Gujarat, India. [Bloom, J. S.; Nugent, P. E.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Brown, P. J.; Krisciunas, K.; Schiefelbein, J. M.; Suntzeff, N. B.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. [Cao, Y.; Kulkarni, S. R.; Perley, D. A.] CALTECH, Cahill Ctr Astrophys, Pasadena, CA 91125 USA. [Nugent, P. E.] Lawrence Berkeley Natl Lab, Computat Res Div, Computat Cosmol Ctr, Berkeley, CA 94611 USA. [Maguire, K.] European Southern Observ Astron Res Southern Hemi, D-85748 Garching, Germany. [Milne, P. A.] Univ Arizona, Steward Observ, Tucson, AZ 85719 USA. [De Cia, A.; Ofek, E. O.; Yaron, O.] Weizmann Inst Sci, Dept Particle Phys & Astrophys, IL-76100 Rehovot, Israel. [Rabus, M.] Pontificia Univ Catolica Chile, Fac Fis, Inst Astrofis, Santiago, Region Metropol, Chile. [Sullivan, M.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. [Surace, J.] CALTECH, Spitzer Sci Ctr, Pasadena, CA 91125 USA. [Wozniak, P. R.] Los Alamos Natl Lab, Space & Remote Sensing, Los Alamos, NM 87545 USA. RP Hsiao, EY (reprint author), Aarhus Univ, Dept Phys & Astron, Ny Munkegade 120, DK-8000 Aarhus C, Denmark. EM hsiao@phys.au.dk RI Gall, Christa/P-7630-2016; OI Gall, Christa/0000-0002-8526-3963; Wozniak, Przemyslaw/0000-0002-9919-3310; Sullivan, Mark/0000-0001-9053-4820; stritzinger, maximilian/0000-0002-5571-1833 FU National Science Foundation [AST-1008343]; Danish Agency for Science and Technology and Innovation; CONICYT through FONDECYT [3130680]; Ministry of Economy, Development, and Tourism's Millennium Science Initiative [IC12009]; Danish National Research Foundation; US Department of Energy; Gemini Observatory [GN-2013B-Q-76]; Office of Science of the US Department of Energy [DE-AC02-05CH11231]; National Aeronautics and Space Administration FX This paper is based upon work supported by the National Science Foundation under Grant No. AST-1008343. M.S., E.Y.H., C.C, and C.G. acknowledge the generous support provided by the Danish Agency for Science and Technology and Innovation through a Sapere Aude Level 2 grant. S.G. acknowledges support from CONICYT through FONDECYT grant 3130680 and from the Ministry of Economy, Development, and Tourism's Millennium Science Initiative through grant IC12009, awarded to The Millennium Institute of Astrophysics, MAS. The Dark Cosmology Centre is funded by the Danish National Research Foundation. LANL participation in iPTF is supported by the US Department of Energy as part of the Laboratory Directed Research and Development program. The bulk of the data presented here was obtained with the 1 m Swope, 2.5 m du Pont, and the 6.5 m Magellan Telescopes at the Las Campanas Observatory. This work also relies on data obtained at the Gemini Observatory, under the long-term program GN-2013B-Q-76. The Gemini Observatory is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), Ministerio da Ciencia, Tecnologia e Inovacao (Brazil) and Ministerio de Ciencia, Tecnologia e Innovacion Productiva (Argentina). The authors would like to recognize the very significant cultural role and reverence that the summit of Mauna Kea has within the indigenous community of Hawaii. We are grateful for our opportunity to conduct observations from this mountain. We have also made use of the Nordic Optical Telescope, which is operated by the Nordic Optical Telescope Scientific Association at the Observatorio del Roque de los Muchachos, La Palma, Spain, of the Instituto de Astrofisica de Canarias. The William Herschel Telescope and its override programme are operated on the island of La Palma by the Isaac Newton Group in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias. This research used resources from the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. We have also made use of the NASA/IPAC Extragalactic Database (NED) which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration. NR 136 TC 9 Z9 9 U1 0 U2 3 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 EI 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JUN PY 2015 VL 578 AR A9 DI 10.1051/0004-6361/201425297 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CM2IF UT WOS:000357502600021 ER PT J AU Luna, GJM Raymond, JC Brickhouse, NS Mauche, CW Suleimanov, V AF Luna, G. J. M. Raymond, J. C. Brickhouse, N. S. Mauche, C. W. Suleimanov, V. TI Testing the cooling flow model in the intermediate polar EX Hydrae SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE novae, cataclysmic variables; radiation mechanisms: general; X-rays: individuals: EX Hydrae ID X-RAY-EMISSION; MAGNETIC CATACLYSMIC VARIABLES; WHITE-DWARF MASSES; HEAT-CONDUCTION; THERMAL CONDUCTION; ACCRETION COLUMN; GALAXY CLUSTERS; SPECTRAL MODEL; SPECTROSCOPY; CHANDRA AB We use the best available X-ray data from the intermediate polar EX Hydrae to study the cooling-flow model often applied to interpret the X-ray spectra of these accreting magnetic white dwarf binaries. First, we resolve a long-standing discrepancy between the X-ray and optical determinations of the mass of the white dwarf in EX Hya by applying new models of the inner disk truncation radius. Our fits to the X-ray spectrum now agree with the white dwarf mass of 0.79 M-circle dot determined using dynamical methods through spectroscopic observations of the secondary. We use a simple isobaric cooling flow model to derive the emission line fluxes, emission measure distribution, and H-like to He-like line ratios for comparison with the 496 ks Chandra High Energy Transmission Grating observation of EX Hydrae. We find that the H/He ratios are not well reproduced by this simple isobaric cooling flow model and show that while H-like line fluxes can be accurately predicted, fluxes of lower-Z He-like lines are significantly underestimated. This discrepancy suggests that an extra heating mechanism plays an important role at the base of the accretion column, where cooler ions form. We thus explored more complex cooling models, including the change of gravitational potential with height in the accretion column and a magnetic dipole geometry. None of these modifications to the standard cooling flow model are able to reproduce the observed line ratios. While a cooling flow model with subsolar (0.1 circle dot) abundances is able to reproduce the line ratios by reducing the cooling rate at temperatures lower than similar to 10(7.3) K, the predicted line-to-continuum ratios are much lower than observed. We discuss and discard mechanisms, such as photoionization, departures from constant pressure, resonant scattering, different electron-ion temperatures, and Compton cooling. Thermal conduction transfers energy from the region above 10(7) K, where the H-like lines are mostly formed, to the cooler regions where the He-like ions of the lower-Z elements are formed, hence in principle it could help resolve the problem. However, simple models indicate that the energy is deposited below 10(6) K, which is too cool to increase the emission of the He-like lines we observe. We conclude that some other effect, such as thermally unstable cooling, modifies the temperature distribution. C1 [Luna, G. J. M.] IAFE CONICET UBA, Buenos Aires, DF, Argentina. [Luna, G. J. M.; Raymond, J. C.; Brickhouse, N. S.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Mauche, C. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Suleimanov, V.] Univ Tubingen, Inst Astron & Astrophys, Kepler Ctr Astro & Particle Phys, D-72076 Tubingen, Germany. [Suleimanov, V.] Kazan Volga Reg Fed Univ, Kazan 420008, Russia. RP Luna, GJM (reprint author), IAFE CONICET UBA, CC 67,Suc 28 C1428ZAA CABA, Buenos Aires, DF, Argentina. EM gjmluna@iafe.uba.ar OI Brickhouse, Nancy/0000-0002-8704-4473 FU NASA [GO7-8026X]; CONICET/Argentina [PICT 2011/269, PIP D-4598/2012]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; German Research Foundation (DFG) [WE 1312/48-1] FX We thanks Vinay Kashyap, Randall K. Smith, and Adam Foster. G.J.M.L. acknowledge support from: NASA to the Smithsonian Astrophysical Observatory (SAO) under Chandra GO7-8026X; grants PICT 2011/269 (Agencia) and PIP D-4598/2012 (CONICET/Argentina). C.W.M.'s contribution to this work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. V.S. was supported by German Research Foundation (DFG) grant WE 1312/48-1. NR 55 TC 1 Z9 1 U1 0 U2 1 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JUN PY 2015 VL 578 AR A15 DI 10.1051/0004-6361/201525755 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CM2IF UT WOS:000357502600027 ER PT J AU Randerson, JT Lindsay, K Munoz, E Fu, W Moore, JK Hoffman, FM Mahowald, NM Doney, SC AF Randerson, J. T. Lindsay, K. Munoz, E. Fu, W. Moore, J. K. Hoffman, F. M. Mahowald, N. M. Doney, S. C. TI Multicentury changes in ocean and land contributions to the climate-carbon feedback SO GLOBAL BIOGEOCHEMICAL CYCLES LA English DT Article DE Atlantic meridional overturning circulation; net primary production; stratification; ecosystems; carbon-concentration feedback ID EARTH SYSTEM MODELS; DIOXIDE VARIABILITY; CYCLE FEEDBACKS; CO2 EMISSIONS; WOOD HARVEST; CCSM4; 21ST-CENTURY; SIMULATIONS; PROJECTIONS; DYNAMICS AB Improved constraints on carbon cycle responses to climate change are needed to inform mitigation policy, yet our understanding of how these responses may evolve after 2100 remains highly uncertain. Using the Community Earth System Model (v1.0), we quantified climate-carbon feedbacks from 1850 to 2300 for the Representative Concentration Pathway 8.5 and its extension. In three simulations, land and ocean biogeochemical processes experienced the same trajectory of increasing atmospheric CO2. Each simulation had a different degree of radiative coupling for CO2 and other greenhouse gases and aerosols, enabling diagnosis of feedbacks. In a fully coupled simulation, global mean surface air temperature increased by 9.3K from 1850 to 2300, with 4.4K of this warming occurring after 2100. Excluding CO2, warming from other greenhouse gases and aerosols was 1.6K by 2300, near a 2K target needed to avoid dangerous anthropogenic interference with the climate system. Ocean contributions to the climate-carbon feedback increased considerably over time and exceeded contributions from land after 2100. The sensitivity of ocean carbon to climate change was found to be proportional to changes in ocean heat content, as a consequence of this heat modifying transport pathways for anthropogenic CO2 inflow and solubility of dissolved inorganic carbon. By 2300, climate change reduced cumulative ocean uptake by 330PgC, from 1410PgC to 1080PgC. Land fluxes similarly diverged over time, with climate change reducing stocks by 232PgC. Regional influence of climate change on carbon stocks was largest in the North Atlantic Ocean and tropical forests of South America. Our analysis suggests that after 2100, oceans may become as important as terrestrial ecosystems in regulating the magnitude of the climate-carbon feedback. C1 [Randerson, J. T.; Fu, W.; Moore, J. K.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Lindsay, K.; Munoz, E.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Hoffman, F. M.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Mahowald, N. M.] Cornell Univ, Dept Earth & Atmospher Sci, Ithaca, NY USA. [Doney, S. C.] Woods Hole Oceanog Inst, Woods Hole, MA 02543 USA. RP Randerson, JT (reprint author), Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. EM jranders@uci.edu RI Doney, Scott/F-9247-2010; Mahowald, Natalie/D-8388-2013; Hoffman, Forrest/B-8667-2012 OI Doney, Scott/0000-0002-3683-2437; Mahowald, Natalie/0000-0002-2873-997X; Hoffman, Forrest/0000-0001-5802-4134 FU U.S. Department of Energy Office of Science; National Science Foundation (NSF); Regional and Global Climate Modeling Program in the Climate and Environmental Sciences Division of the Biological and Environmental Research (BER) Program in the U.S. Department of Energy Office of Science; NSF [AGS-1048827, AGS-1021776, AGS-1048890]; NSF; BER FX We are grateful for support from the U.S. Department of Energy Office of Science and the National Science Foundation (NSF). J.T.R. and F.H. received support from the Regional and Global Climate Modeling Program in the Climate and Environmental Sciences Division of the Biological and Environmental Research (BER) Program in the U.S. Department of Energy Office of Science. J.T.R., K.L., E.M., W.F., J.K.M., S.C.D., and N.N.M. received funding from the NSF project "Collaborative Research: Improved Regional and Decadal Predictions of the Carbon Cycle" (AGS-1048827, AGS-1021776, and AGS-1048890). The Community Earth System Modeling project receives support from both NSF and BER. Computing resources were provided by the Climate Simulation Laboratory at NCAR's Computational and Information Systems Laboratory, sponsored by NSF and other agencies. The CESM1(BGC) simulation output analyzed here for the RCP/ECP8.5 scenario is available upon request. Please contact the authors for ftp access. The CESM1(BGC) simulations for the CMIP5 1%/yr CO2 increase experiments are available on the Earth SystemGrid Federation (http://pcmdi9.llnl.gov/esgf-web-fe/). We thank C. Jones and an anonymous reviewer for their valuable suggestions during the review process. NR 61 TC 10 Z9 10 U1 3 U2 41 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0886-6236 EI 1944-9224 J9 GLOBAL BIOGEOCHEM CY JI Glob. Biogeochem. Cycle PD JUN PY 2015 VL 29 IS 6 BP 744 EP 759 DI 10.1002/2014GB005079 PG 16 WC Environmental Sciences; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Geology; Meteorology & Atmospheric Sciences GA CM8NE UT WOS:000357957600002 ER PT J AU Tian, HQ Lu, CQ Yang, J Banger, K Huntzinger, DN Schwalm, CR Michalak, AM Cook, R Ciais, P Hayes, D Huang, MY Ito, A Jain, AK Lei, HM Mao, JF Pan, SF Post, WM Peng, SS Poulter, B Ren, W Ricciuto, D Schaefer, K Shi, XY Tao, B Wang, WL Wei, YX Yang, QC Zhang, BW Zeng, N AF Tian, Hanqin Lu, Chaoqun Yang, Jia Banger, Kamaljit Huntzinger, Deborah N. Schwalm, Christopher R. Michalak, Anna M. Cook, Robert Ciais, Philippe Hayes, Daniel Huang, Maoyi Ito, Akihiko Jain, Atul K. Lei, Huimin Mao, Jiafu Pan, Shufen Post, Wilfred M. Peng, Shushi Poulter, Benjamin Ren, Wei Ricciuto, Daniel Schaefer, Kevin Shi, Xiaoying Tao, Bo Wang, Weile Wei, Yaxing Yang, Qichun Zhang, Bowen Zeng, Ning TI Global patterns and controls of soil organic carbon dynamics as simulated by multiple terrestrial biosphere models: Current status and future directions SO GLOBAL BIOGEOCHEMICAL CYCLES LA English DT Article DE soil organic carbon (SOC); heterotrophic respiration (Rh); mean residence time (MRT); soil carbon dynamics model; belowground processes; uncertainty ID PROGRAM MULTISCALE SYNTHESIS; EARTH SYSTEM MODELS; LAND-USE CHANGE; INTERCOMPARISON PROJECT; NITROGEN INTERACTIONS; AGRICULTURAL LAND; VEGETATION MODEL; CLIMATE-CHANGE; WHITE SPRUCE; TEMPERATURE AB Soil is the largest organic carbon (C) pool of terrestrial ecosystems, and C loss from soil accounts for a large proportion of land-atmosphere C exchange. Therefore, a small change in soil organic C (SOC) can affect atmospheric carbon dioxide (CO2) concentration and climate change. In the past decades, a wide variety of studies have been conducted to quantify global SOC stocks and soil C exchange with the atmosphere through site measurements, inventories, and empirical/process-based modeling. However, these estimates are highly uncertain, and identifying major driving forces controlling soil C dynamics remains a key research challenge. This study has compiled century-long (1901-2010) estimates of SOC storage and heterotrophic respiration (Rh) from 10 terrestrial biosphere models (TBMs) in the Multi-scale Synthesis and Terrestrial Model Intercomparison Project and two observation-based data sets. The 10 TBM ensemble shows that global SOC estimate ranges from 425 to 2111Pg C (1Pg=10(15)g) with a median value of 1158Pg C in 2010. The models estimate a broad range of Rh from 35 to 69PgCyr(-1) with a median value of 51PgCyr(-1) during 2001-2010. The largest uncertainty in SOC stocks exists in the 40-65 degrees N latitude whereas the largest cross-model divergence in Rh are in the tropics. The modeled SOC change during 1901-2010 ranges from -70Pg C to 86Pg C, but in some models the SOC change has a different sign from the change of total C stock, implying very different contribution of vegetation and soil pools in determining the terrestrial C budget among models. The model ensemble-estimated mean residence time of SOC shows a reduction of 3.4years over the past century, which accelerate C cycling through the land biosphere. All the models agreed that climate and land use changes decreased SOC stocks, while elevated atmospheric CO2 and nitrogen deposition over intact ecosystems increased SOC stockseven though the responses varied significantly among models. Model representations of temperature and moisture sensitivity, nutrient limitation, and land use partially explain the divergent estimates of global SOC stocks and soil C fluxes in this study. In addition, a major source of systematic error in model estimations relates to nonmodeled SOC storage in wetlands and peatlands, as well as to old C storage in deep soil layers. C1 [Tian, Hanqin; Lu, Chaoqun; Yang, Jia; Banger, Kamaljit; Pan, Shufen; Ren, Wei; Tao, Bo; Yang, Qichun; Zhang, Bowen] Auburn Univ, Int Ctr Climate & Global Change Res, Sch Forestry & Wildlife Sci, Auburn, AL 36849 USA. [Huntzinger, Deborah N.] No Arizona Univ, Sch Earth Sci & Environm Sustainabil, Flagstaff, AZ 86011 USA. [Huntzinger, Deborah N.; Schwalm, Christopher R.] No Arizona Univ, Dept Civil Engn Construct Management & Environm E, Flagstaff, AZ 86011 USA. [Schwalm, Christopher R.] No Arizona Univ, Ctr Ecosyst Sci & Soc, Flagstaff, AZ 86011 USA. [Michalak, Anna M.] Carnegie Inst Sci, Dept Global Ecol, Stanford, CA USA. [Cook, Robert; Hayes, Daniel; Mao, Jiafu; Post, Wilfred M.; Ricciuto, Daniel; Shi, Xiaoying; Wei, Yaxing] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Cook, Robert; Hayes, Daniel; Mao, Jiafu; Post, Wilfred M.; Ricciuto, Daniel; Shi, Xiaoying; Wei, Yaxing] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Ciais, Philippe; Peng, Shushi] Lab Sci Climat & Environm, Gif Sur Yvette, France. [Huang, Maoyi] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Ito, Akihiko] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan. [Jain, Atul K.] Univ Illinois, Dept Atmospher Sci, Urbana, IL USA. [Lei, Huimin] Tsinghua Univ, Dept Hydraul Engn, Beijing 100084, Peoples R China. [Poulter, Benjamin] Montana State Univ, Dept Ecol, Bozeman, MT 59717 USA. [Schaefer, Kevin] Natl Snow & Ice Data Ctr, Boulder, CO USA. [Wang, Weile] NASA, Ames Res Ctr, Mountain View, CA USA. [Zeng, Ning] Univ Maryland, Dept Atmospher & Ocean Sci, College Pk, MD 20742 USA. RP Tian, HQ (reprint author), Auburn Univ, Int Ctr Climate & Global Change Res, Sch Forestry & Wildlife Sci, Auburn, AL 36849 USA. EM tianhan@auburn.edu; czl0003@auburn.edu RI Banger, Kamaljit/B-3215-2016; Mao, Jiafu/B-9689-2012; Lei, Huimin/H-9596-2015; Tian, Hanqin/A-6484-2012; Peng, Shushi/J-4779-2014; Ren, Wei/G-8317-2016; Ren, Wei/I-4048-2014; Ricciuto, Daniel/I-3659-2016; Zeng, Ning/A-3130-2008; Yang, Jia/A-6483-2012; Jain, Atul/D-2851-2016 OI Cook, Robert/0000-0001-7393-7302; Poulter, Benjamin/0000-0002-9493-8600; Huang, Maoyi/0000-0001-9154-9485; Zhang, Bowen/0000-0002-8370-0509; Mao, Jiafu/0000-0002-2050-7373; Lei, Huimin/0000-0002-1175-2334; Tian, Hanqin/0000-0002-1806-4091; Peng, Shushi/0000-0001-5098-726X; Ren, Wei/0000-0002-4840-4835; Ricciuto, Daniel/0000-0002-3668-3021; Zeng, Ning/0000-0002-7489-7629; Yang, Jia/0000-0003-2019-9603; Jain, Atul/0000-0002-4051-3228 FU NASA ROSES [NNX10AG01A, NNH10AN68I]; U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research; DOE [DE-AC05-00OR22725]; U.S. DOE-BER; U.S. DOE-BER through the Subsurface Biogeochemical Research Program (SBR) as part of the SBR Scientific Focus Area (SFA) at the Pacific Northwest National Laboratory (PNNL); U.S. DOE by BATTELLE Memorial Institute [DE-AC05-76RLO1830]; NASA Interdisciplinary Science Program [NNX10AU06G, NNX11AD47G, NNX14AF93G, NNG04GM39C]; NASA Land Cover/Land Use Change Program [NNX08AL73G]; NASA Carbon Monitoring System Program [NNX14AO73G]; National Science Foundation Dynamics of Coupled Natural-Human System Program [1210360]; Decadal and Regional Climate Prediction using Earth System Models [AGS-1243220]; DOE National Institute for Climate Change Research [DUKE-UN-07-SC-NICCR-1014]; EPA STAR program [2004-STAR-L1]; U.S. National Science Foundation [NSF-AGS-12-43071, NSF-EFRI-083598]; USDA National Institute of Food and Agriculture (NIFA) [2011-68002-30220]; U.S. Department of Energy (DOE) Office of Science [DOE-DE-SC0006706]; NASA Land cover and Land Use Change Program [NNX14AD94G]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [OCI-0725070, ACI-1238993] FX Funding for the Multi-scale Synthesis and Terrestrial Model Intercomparison Project (MsTMIP; http://nacp.ornl.gov/MsTMIP.shtml) was provided through NASA ROSES grant NNX10AG01A. Data management support for preparing, documenting, and distributing model driver and output data were performed by the Modeling and Synthesis Thematic Data Center at Oak Ridge National Laboratory (http://nacp.ornl.gov), with funding through NASA ROSES grant NNH10AN68I. Finalized MsTMIP data products will be archived at the ORNL DAAC (http://daac.ornl.gov). This is MsTMIP contribution 4. Acknowledgments for specific MsTMIP participating models are as follows. (1) Biome-BGC. Biome-BGC code was provided by the Numerical Terradynamic Simulation Group at University of Montana. The computational facilities were provided by NASA Earth Exchange at NASA Ames Research Center. (2) CLM and GTEC. Simulations were supported in part by the U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research. Oak Ridge National Laboratory is managed by UTBATTELLE for DOE under contract DE-AC05-00OR22725. (3) CLM4-VIC. This research is supported in part by the U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research (BER) through the Earth System Modeling program and performed using the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U.S. DOE-BER and located at Pacific Northwest National Laboratory (PNNL). Participation of M. Huang in the MsTMIP synthesis is supported by the U.S. DOE-BER through the Subsurface Biogeochemical Research Program (SBR) as part of the SBR Scientific Focus Area (SFA) at the Pacific Northwest National Laboratory (PNNL). PNNL is operated for the U.S. DOE by BATTELLE Memorial Institute under contract DE-AC05-76RLO1830. (4) DLEM. The Dynamic Land Ecosystem Model (DLEM) developed in International Center for Climate and Global Change Research at Auburn University has been supported by NASA Interdisciplinary Science Program (NNX10AU06G, NNX11AD47G, NNX14AF93G, and NNG04GM39C), NASA Land Cover/Land Use Change Program (NNX08AL73G), NASA Carbon Monitoring System Program (NNX14AO73G), National Science Foundation Dynamics of Coupled Natural-Human System Program(1210360), Decadal and Regional Climate Prediction using Earth System Models (AGS-1243220), DOE National Institute for Climate Change Research (DUKE-UN-07-SC-NICCR-1014), and EPA STAR program (2004-STAR-L1). (5) ISAM. The simulations were supported by the U.S. National Science Foundation (NSF-AGS-12-43071 and NSF-EFRI-083598), the USDA National Institute of Food and Agriculture (NIFA) (2011-68002-30220), the U.S. Department of Energy (DOE) Office of Science (DOE-DE-SC0006706), and the NASA Land cover and Land Use Change Program (NNX14AD94G). ISAM simulations were carried out at the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-05CH11231, and at the Blue Waters sustained-petascale computing, University of Illinois at Urbana-Champaign, which is supported by the National Science Foundation (awards OCI-0725070 and ACI-1238993) and the state of Illinois. (6) LPJ-wsl. This work was conducted at LSCE, France, using a modified version of the LPJ version 3.1 model, originally made available by the Potsdam Institute for Climate Impact Research. (7) ORCHIDEE-LSCE. ORCHIDEE is developed at the IPSL institute in France.; The simulations were performed with the support of the GHG-Europe FP7 grant with computing facilities provided by LSCE (Laboratoire des Sciences du Climat et de l'Environnement) or TGCC (Tres Grand Centre de Calcul). (8) VISIT. VISIT was developed at the National Institute for Environmental Studies, Japan. This work was mostly conducted during a visiting stay at Oak Ridge National Laboratory. NR 66 TC 17 Z9 17 U1 19 U2 109 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0886-6236 EI 1944-9224 J9 GLOBAL BIOGEOCHEM CY JI Glob. Biogeochem. Cycle PD JUN PY 2015 VL 29 IS 6 BP 775 EP 792 DI 10.1002/2014GB005021 PG 18 WC Environmental Sciences; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Geology; Meteorology & Atmospheric Sciences GA CM8NE UT WOS:000357957600004 ER PT J AU Heikoop, JM Throckmorton, HM Newman, BD Perkins, GB Iversen, CM Chowdhury, TR Romanovsky, V Graham, DE Norby, RJ Wilson, CJ Wullschleger, SD AF Heikoop, Jeffrey M. Throckmorton, Heather M. Newman, Brent D. Perkins, George B. Iversen, Colleen M. Chowdhury, Taniya Roy Romanovsky, Vladimir Graham, David E. Norby, Richard J. Wilson, Cathy J. Wullschleger, Stan D. TI Isotopic identification of soil and permafrost nitrate sources in an Arctic tundra ecosystem SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article DE nitrate; nitrification; permafrost; tundra; isotopes ID THAW-LAKE BASINS; PASSIVE CAPILLARY SAMPLERS; ICE-WEDGE POLYGONS; CLIMATE-CHANGE; STABLE-ISOTOPE; COASTAL-PLAIN; SNOWMELT INFILTRATION; NORTHWEST-TERRITORIES; COLLECTING SAMPLES; NITROGEN DYNAMICS AB The nitrate (NO3-) dual isotope approach was applied to snowmelt, tundra active layer pore waters, and underlying permafrost in Barrow, Alaska, USA, to distinguish between NO3- derived from atmospheric deposition versus that derived from microbial nitrification. Snowmelt had an atmospheric NO3- signal with N-15 averaging -4.81.0 (standard error of the mean) and O-18 averaging 70.21.7. In active layer pore waters, NO3- primarily occurred at concentrations suitable for isotopic analysis in the relatively dry and oxic centers of high-centered polygons. The average N-15 and O-18 of NO3- from high-centered polygons were 0.5 +/- 1.1 parts per thousand and -4.1 +/- 0.6 parts per thousand, respectively. When compared to the N-15 of reduced nitrogen (N) sources, and the O-18 of soil pore waters, it was evident that NO3- in high-centered polygons was primarily from microbial nitrification. Permafrost NO3- had N-15 ranging from approximately -6 parts per thousand to 10 parts per thousand, similar to atmospheric and microbial NO3-, and highly variable O-18 ranging from approximately -2 parts per thousand to 38 parts per thousand. Permafrost ice wedges contained a significant atmospheric component of NO3-, while permafrost textural ice contained a greater proportion of microbially derived NO3-. Large-scale permafrost thaw in this environment would release NO3- with a O-18 signature intermediate to that of atmospheric and microbial NO3. Consequently, while atmospheric and microbial sources can be readily distinguished by the NO3- dual isotope technique in tundra environments, attribution of NO3- from thawing permafrost will not be straightforward. The NO3- isotopic signature, however, appears useful in identifying NO3- sources in extant permafrost ice. C1 [Heikoop, Jeffrey M.; Throckmorton, Heather M.; Newman, Brent D.; Perkins, George B.; Wilson, Cathy J.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. [Iversen, Colleen M.; Norby, Richard J.; Wullschleger, Stan D.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Chowdhury, Taniya Roy; Graham, David E.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Romanovsky, Vladimir] Univ Alaska Fairbanks, Permafrost Lab, Fairbanks, AK USA. RP Heikoop, JM (reprint author), Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. EM jheikoop@lanl.gov RI Heikoop, Jeffrey/C-1163-2011; Graham, David/F-8578-2010; Norby, Richard/C-1773-2012; Wullschleger, Stan/B-8297-2012; OI Graham, David/0000-0001-8968-7344; Norby, Richard/0000-0002-0238-9828; Wullschleger, Stan/0000-0002-9869-0446; Heikoop, Jeffrey/0000-0001-7648-3385 FU Next-Generation Ecosystem Experiments (NGEE Arctic) project; Office of Biological and Environmental Research in the U.S. Department of Energy (DOE)-Office of Science; U.S. Department of Energy [DE-AC52-06NA25396] FX Data associated with isotope samples are provided in Tables S1-S3. Concentration data for all other samples can be obtained directly from the corresponding author. This work was performed under the auspices of the Next-Generation Ecosystem Experiments (NGEE Arctic) project, which is supported by the Office of Biological and Environmental Research in the U.S. Department of Energy (DOE)-Office of Science. We wish to thank Garrett Altmann, Deanne Brice, Joanne Childs, Lily Cohen, Michael Hudak, Marvin Gard, Ingrid Slette, and Victoria Sloan for field and laboratory assistance, and UMIAQ, LLC, for logistical support in Barrow. The manuscript benefited greatly from the thorough and constructive comments of two anonymous reviewers. This work has been authored by an employee of Los Alamos National Security, LLC, operator of the Los Alamos National Laboratory under contract DE-AC52-06NA25396 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting this work for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce this work or allow others to do so for the United States Government purposes. NR 98 TC 3 Z9 3 U1 4 U2 33 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-8953 EI 2169-8961 J9 J GEOPHYS RES-BIOGEO JI J. Geophys. Res.-Biogeosci. PD JUN PY 2015 VL 120 IS 6 BP 1000 EP 1017 DI 10.1002/2014JG002883 PG 18 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA CM8LM UT WOS:000357952400002 ER PT J AU Carmichael, JD Joughin, I Behn, MD Das, S King, MA Stevens, L Lizarralde, D AF Carmichael, Joshua D. Joughin, Ian Behn, Mark D. Das, Sarah King, Matt A. Stevens, Laura Lizarralde, Dan TI Seismicity on the western Greenland Ice Sheet: Surface fracture in the vicinity of active moulins SO JOURNAL OF GEOPHYSICAL RESEARCH-EARTH SURFACE LA English DT Article DE western Greenland Ice Sheet; icequakes; statistical signal processing; GPS; supraglacial lakes; seismic threshold monitoring ID WAVE-FORM CORRELATION; SUPRAGLACIAL LAKES; MOMENT TENSOR; MOUNT-RAINIER; GLACIER; ICEQUAKES; DRAINAGE; SWITZERLAND; GORNERGLETSCHER; ACCELERATION AB We analyzed geophone and GPS measurements collected within the ablation zone of the western Greenland Ice Sheet during a similar to 35day period of the 2011 melt season to study changes in ice deformation before, during, and after a supraglacial lake drainage event. During rapid lake drainage, ice flow speeds increased to similar to 400% of winter values, and icequake activity peaked. At times >7days after drainage, this seismicity developed variability over both diurnal and longer periods (similar to 10days), while coincident ice speeds fell to similar to 150% of winter values and showed nightly peaks in spatial variability. Approximately 95% of all detected seismicity in the lake basin and its immediate vicinity was triggered by fracture propagation within near-surface ice (<330m deep) that generated Rayleigh waves. Icequakes occurring before and during drainage frequently were collocated with the down flow (west) end of the primary hydrofracture through which the lake drained but shifted farther west and outside the lake basin after the drainage. We interpret these results to reveal vertical hydrofracture opening and local uplift during the drainage, followed by enhanced seismicity and ice flow on the downstream side of the lake basin. This region collocates with interferometric synthetic aperture radar-measured speedup in previous years and could reflect the migration path of the meltwater supplied to the bed by the lake. The diurnal seismic signal can be associated with nightly reductions in surface melt input that increase effective basal pressure and traction, thereby promoting elevated strain in the surficial ice. C1 [Carmichael, Joshua D.; Joughin, Ian; Behn, Mark D.] Univ Washington, Appl Phys Lab, Polar Sci Ctr, Seattle, WA 98105 USA. [Carmichael, Joshua D.] Los Alamos Natl Lab, Geophys EES 17, GNDD, Los Alamos, NM USA. [Das, Sarah; Stevens, Laura; Lizarralde, Dan] Woods Hole Oceanog Inst, Dept Geol & Geophys, Woods Hole, MA 02543 USA. [King, Matt A.] Univ Tasmania, Sch Land & Food, Hobart, Tas, Australia. RP Carmichael, JD (reprint author), Univ Washington, Appl Phys Lab, Polar Sci Ctr, Seattle, WA 98105 USA. EM josh.carmichael@gmail.com RI Joughin, Ian/A-2998-2008; Behn, Mark/F-5813-2012; King, Matt/B-4622-2008; OI Joughin, Ian/0000-0001-6229-679X; Behn, Mark/0000-0002-2001-1335; King, Matt/0000-0001-5611-9498; /0000-0003-0480-8018 FU NASA NESSF [NNX08AU82H]; NSF [ANT-0424589]; National Science Foundation's Office of Polar Programs (NSF-OPP) [ARC-1023382, ARC-1023364]; Australian Research Council [FT110100207] FX The authors would like to thank Matt Hoffman for constructive discussions on GPS processing and subglacial hydraulics, Amanda Ziemann, Brooke Medley, and Rod Whitaker for input regarding exposition, David Shean for photographic data of instrument melt out, and James Lucas for providing waveform picks. Research by J. Carmichael was supported by a NASA NESSF Fellowship grant NNX08AU82H and NSF grant ANT-0424589. The fieldwork and additional analyses were supported by the National Science Foundation's Office of Polar Programs (NSF-OPP) through ARC-1023382, awarded to I. Joughin, and ARC-1023364, awarded to S. B. Das and M. D. Behn. Matt King is a recipient of an Australian Research Council Future Fellowship (project number FT110100207). The geophysical data used in this paper from 2011 to 2012 are available and can be obtained by contacting the corresponding author at joshuac@lanl.gov. The ice-velocity data is available upon request by contacting the author Ian Joughin, ian@apl.washington.edu. NR 68 TC 7 Z9 7 U1 2 U2 18 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9003 EI 2169-9011 J9 J GEOPHYS RES-EARTH JI J. Geophys. Res.-Earth Surf. PD JUN PY 2015 VL 120 IS 6 BP 1082 EP 1106 DI 10.1002/2014JF003398 PG 25 WC Geosciences, Multidisciplinary SC Geology GA CM8ZQ UT WOS:000357994400008 ER PT J AU Sevanto, S Dickman, LT AF Sevanto, Sanna Dickman, L. Turin TI Where does the carbon go?-Plant carbon allocation under climate change SO TREE PHYSIOLOGY LA English DT Editorial Material ID INDUCED TREE MORTALITY; PINYON-JUNIPER WOODLAND; RISING ATMOSPHERIC CO2; CHANGE-TYPE DROUGHT; WOODY-PLANTS; ORGANIC-ACID; ELEVATED CO2; WATER-STRESS; DIE-OFF; TEMPERATURE C1 [Sevanto, Sanna; Dickman, L. Turin] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Sevanto, S (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Bikini Atoll Rd MS J495, Los Alamos, NM 87545 USA. EM sanna@lanl.gov NR 37 TC 5 Z9 5 U1 6 U2 55 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0829-318X EI 1758-4469 J9 TREE PHYSIOL JI Tree Physiol. PD JUN PY 2015 VL 35 IS 6 BP 581 EP 584 DI 10.1093/treephys/tpv059 PG 4 WC Forestry SC Forestry GA CM7RK UT WOS:000357893400001 PM 26109074 ER PT J AU Cao, HB Zhao, ZY Lee, M Choi, ES McGuire, MA Sales, BC Zhou, HD Yan, JQ Mandrus, DG AF Cao, H. B. Zhao, Z. Y. Lee, M. Choi, E. S. McGuire, M. A. Sales, B. C. Zhou, H. D. Yan, J. -Q. Mandrus, D. G. TI High pressure floating zone growth and structural properties of ferrimagnetic quantum paraelectric BaFe12O19 SO APL MATERIALS LA English DT Article ID HEXAGONAL FERRITES; CRYSTAL-STRUCTURE; SINGLE-CRYSTAL; HEXAFERRITE CERAMICS; BARIUM FERRITE; FERROELECTRICITY; DIFFRACTION; BAFE18O27; OXYGEN; SRTIO3 AB High quality single crystals of BaFe12O19 were grown using the floating zone technique in 100 atm of flowing oxygen. Single crystal neutron diffraction was used to determine the nuclear and magnetic structures of BaFe12O19 at 4 K and 295 K. At both temperatures, there exist local electric dipoles formed by the off-mirror-plane displacements of magnetic Fe3+ ions at the bipyramidal sites. The displacement at 4 K is about half of that at room temperature. The temperature dependence of the specific heat shows no anomaly associated with long range polar ordering in the temperature range from 1.90 to 300 K. The inverse dielectric permittivity, 1/epsilon, along the c-axis shows a T-2 temperature dependence between 10 K and 20 K, with a significantly reduced temperature dependence displayed below 10 K. Moreover, as the sample is cooled below 1.4 K there is an anomalous sharp upturn in 1/epsilon. These features resemble those of classic quantum paraelectrics such as SrTiO3. The presence of the upturn in 1/epsilon indicates that BaFe12O19 is a critical quantum paraelectric system with Fe3+ ions involved in both magnetic and electric dipole formation. (C) 2015 Author(s). C1 [Cao, H. B.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Zhao, Z. Y.; McGuire, M. A.; Sales, B. C.; Yan, J. -Q.; Mandrus, D. G.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Zhao, Z. Y.; Zhou, H. D.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Lee, M.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Lee, M.; Choi, E. S.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Yan, J. -Q.; Mandrus, D. G.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Cao, HB (reprint author), Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RI McGuire, Michael/B-5453-2009; Cao, Huibo/A-6835-2016; Lee, Minseong/D-5371-2016; Zhou, Haidong/O-4373-2016 OI McGuire, Michael/0000-0003-1762-9406; Cao, Huibo/0000-0002-5970-4980; FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; Scientific User Facilities Division; U.S. DOE, Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Propulsion Materials Program; Gordon and Betty Moore Foundations EPiQS Initiative [GBMF4416]; NHMFL [NSF-DMR-1157490]; U.S. DOE; State of Florida FX Work at ORNL was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division (B.C.S. and J.Q.Y.), and Scientific User Facilities Division (H.B.C.). Magnetization measurements (M.A.M.) were supported by U.S. DOE, Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Propulsion Materials Program. D.G.M. acknowledges support from the Gordon and Betty Moore Foundations EPiQS Initiative through Grant No. GBMF4416. The work at NHMFL is supported by No. NSF-DMR-1157490, U.S. DOE, and the State of Florida. NR 43 TC 5 Z9 5 U1 6 U2 41 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD JUN PY 2015 VL 3 IS 6 AR 062512 DI 10.1063/1.4922934 PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CM3TZ UT WOS:000357608900023 ER PT J AU MacManus-Driscoll, J Suwardi, A Kursumovic, A Bi, ZX Tsai, CF Wang, HY Jia, QX Lee, OJ AF MacManus-Driscoll, Judith Suwardi, Ady Kursumovic, Ahmed Bi, Zhenxing Tsai, Chen-Fong Wang, Haiyan Jia, Quanxi Lee, Oon Jew TI New strain states and radical property tuning of metal oxides using a nanocomposite thin film approach SO APL MATERIALS LA English DT Article ID FERROELECTRIC-FILMS; PHASE; TUNABILITY; DENSITY AB Auxetic-like strain states were generated in self-assembled nanocomposite thin films of (Ba0.6Sr0.4TiO3)(1-x) - (Sm2O3)(x)(BSTO - SmO). A switch from auxetic-like to elastic-like strain behavior was observed for x > 0.50, when the SmO switched from being nanopillars in the BSTO matrix to being the matrix with BSTO nanopillars embedded in it. A simple model was adopted to explain how in-plane strain varies with x. At high x (0.75), strongly enhanced ferroelectric properties were obtained compared to pure BSTO films. The nanocomposite method represents a powerful new way to tune the properties of a wide range of strongly correlated metal oxides whose properties are very sensitive to strain. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [MacManus-Driscoll, Judith; Suwardi, Ady; Kursumovic, Ahmed; Lee, Oon Jew] Univ Cambridge, Dept Mat Sci & Met, Device Mat Grp, Cambridge CB3 0FS, England. [Bi, Zhenxing; Wang, Haiyan] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. [Tsai, Chen-Fong; Wang, Haiyan] Texas A&M Univ, Mat Sci & Engn Program, College Stn, TX 77843 USA. [Jia, Quanxi] Los Alamos Natl Lab, Ctr Integrated Nanotechnol CINT, Los Alamos, NM 87545 USA. RP MacManus-Driscoll, J (reprint author), Univ Cambridge, Dept Mat Sci & Met, Device Mat Grp, Cambridge CB3 0FS, England. EM jld35@cam.ac.uk OI Suwardi, Ady/0000-0002-7342-0431 FU European Research Council (ERC) (Advanced Investigator Grant) [ERC-2009-AdG-247276-NOVOX]; Agency of Science, Technology and Research (A*STAR), Singapore; U.S. National Science Foundation [DMR-1401266, DMR-0846504]; Laboratory Directed Research and Development Program FX This work was supported by the European Research Council (ERC) (Advanced Investigator Grant No. ERC-2009-AdG-247276-NOVOX). A. Suwardi acknowledges support from the Agency of Science, Technology and Research (A*STAR), Singapore. The work at Texas A&M was funded by the U.S. National Science Foundation (Nos. DMR-1401266 and DMR-0846504). The work at Los Alamos was partially supported by the Laboratory Directed Research and Development Program and 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. NR 19 TC 5 Z9 5 U1 5 U2 29 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD JUN PY 2015 VL 3 IS 6 AR 062507 DI 10.1063/1.4919059 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CM3TZ UT WOS:000357608900018 ER PT J AU Mamun, MA Hernandez-Garcia, C Poelker, M Elmustafa, AA AF Mamun, M. A. Hernandez-Garcia, C. Poelker, M. Elmustafa, A. A. TI Correlation of CsK2Sb photocathode lifetime with antimony thickness SO APL MATERIALS LA English DT Article AB CsK2Sb photocathodes with quantum efficiency on the order of 10% at 532 nm, and lifetime greater than 90 days at low voltage, were successfully manufactured via co-deposition of alkali species emanating from an effusion source. Photocathodes were characterized as a function of antimony layer thickness and alkali consumption, inside a vacuum chamber that was initially baked, but frequently vented without re-baking. Photocathode lifetime measured at low voltage is correlated with the antimony layer thickness. Photocathodes manufactured with comparatively thick antimony layers exhibited the best lifetime. We speculate that the antimony layer serves as a reservoir, or sponge, for the alkali. (C) 2015 Author(s). C1 [Mamun, M. A.; Elmustafa, A. A.] Old Dominion Univ, Dept Mech & Aerosp Engn, Norfolk, VA 23529 USA. [Mamun, M. A.; Elmustafa, A. A.] Thomas Jefferson Natl Accelerator Facil, Appl Res Ctr, Newport News, VA 23606 USA. [Hernandez-Garcia, C.; Poelker, M.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Mamun, MA (reprint author), Old Dominion Univ, Dept Mech & Aerosp Engn, Norfolk, VA 23529 USA. EM mmamu001@odu.edu FU U.S. Department of Energy, Division of Material Sciences [DE-FG02-97ER45625]; National Science Foundation [DMR-0420304] FX This material is based on work supported by the U.S. Department of Energy, Division of Material Sciences, under Grant No. DE-FG02-97ER45625 and the National Science Foundation Grant No. DMR-0420304. We also acknowledge college of William and Mary, and Dr. Kai Zhang of ODU for using the FESEM for the microscopic imaging. NR 20 TC 4 Z9 4 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD JUN PY 2015 VL 3 IS 6 AR 066103 DI 10.1063/1.4922319 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CM3TZ UT WOS:000357608900031 ER PT J AU Mitchell, JF AF Mitchell, J. F. TI Sr2IrO4: Gateway to cuprate superconductivity? SO APL MATERIALS LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTIVITY; FERMI ARCS; OXIDES AB High temperature superconductivity in cuprates remains a defining challenge in condensed matter physics. Recently, a new set of related compounds based on Ir rather than Cu has been discovered that may be on the verge of superconductivity themselves or be able to shed new light on the underlying interactions responsible for superconductivity in the cuprates. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Mitchell, JF (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division FX The author thanks B. J. Kim who is responsible for the vast majority of the work discussed here. Also contributing significantly were staff at Sector 27 of the Advanced Photon Source (J. Kim, T. Gog, and D. Casa), J. Allen (University of Michigan), G. Jackeli and G. Khaliullin (MPI Stuttgart), and Q. Zhao and H. Zheng (Argonne). Work in the Materials Science Division at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. NR 18 TC 1 Z9 1 U1 7 U2 34 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD JUN PY 2015 VL 3 IS 6 AR 062404 DI 10.1063/1.4921953 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CM3TZ UT WOS:000357608900011 ER PT J AU Ong, KP Fan, XF Subedi, A Sullivan, MB Singh, DJ AF Ong, Khuong P. Fan, Xiaofeng Subedi, Alaska Sullivan, Michael B. Singh, David J. TI Transparent conducting properties of SrSnO3 and ZnSnO3 SO APL MATERIALS LA English DT Article ID POLAR OXIDE ZNSNO3; ZINC-STANNATE; THIN-FILMS; OPTICAL-PROPERTIES; FABRICATION; ELECTRODES; BASNO3 AB We report optical properties of doped n-type SrSnO3 and ZnSnO3 in relation to potential application as transparent conductors. We find that the orthorhombic distortion of the perovskite structure in SrSnO3 leads to absorption in the visible as the doping level is increased. This arises from interband transitions. We find that strain tuning could modify this absorption, but does not eliminate it. On the other hand, we find that ZnSnO3 although also having a non-cubic structure, can retain excellent transparency when doped, making it a good candidate transparent conductor. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [Ong, Khuong P.; Sullivan, Michael B.] Agcy Sci Technol & Res, Inst High Performance Comp, Singapore 138632, Singapore. [Fan, Xiaofeng] Jilin Univ, Coll Mat Sci & Engn, Changchun 130012, Peoples R China. [Subedi, Alaska] Max Planck Inst Struct & Dynam Matter, Hamburg, Germany. [Singh, David J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Ong, KP (reprint author), Agcy Sci Technol & Res, Inst High Performance Comp, 1 Fusionopolis Way,16-16 Connexis, Singapore 138632, Singapore. RI Fan, Xiaofeng/B-9680-2011; OI Fan, Xiaofeng/0000-0001-6288-4866; Sullivan, Michael/0000-0001-5454-9355 FU Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; Singapore Agency for Science Technology and Research (A*STAR) FX Work at ORNL was supported by the Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. Work at IHPC was supported by the Singapore Agency for Science Technology and Research (A*STAR). We are grateful for useful discussions with Bharat Jalan. NR 52 TC 6 Z9 6 U1 18 U2 100 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD JUN PY 2015 VL 3 IS 6 AR 062505 DI 10.1063/1.4919564 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CM3TZ UT WOS:000357608900016 ER PT J AU Wu, J Bozovic, I AF Wu, J. Bozovic, I. TI Perspective: Extremely fine tuning of doping enabled by combinatorial molecular-beam epitaxy SO APL MATERIALS LA English DT Article ID INTERFACE SUPERCONDUCTIVITY; TRANSITION AB Chemical doping provides an effective method to control the electric properties of complex oxides. However, the state-of-art accuracy in controlling doping is limited to about 1%. This hampers elucidation of the precise doping dependences of physical properties and phenomena of interest, such as quantum phase transitions. Using the combinatorial molecular beam epitaxy, we improve the accuracy in tuning the doping level by two orders of magnitude. We illustrate this novel method by two examples: a systematic investigation of the doping dependence of interface superconductivity, and a study of the competing ground states in the vicinity of the insulator-to-superconductor transition. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [Wu, J.; Bozovic, I.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Wu, J (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX This work was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 13 TC 0 Z9 0 U1 2 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2166-532X J9 APL MATER JI APL Mater. PD JUN PY 2015 VL 3 IS 6 AR 062401 DI 10.1063/1.4917283 PG 3 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CM3TZ UT WOS:000357608900008 ER PT J AU DelRio, FW Cook, RF Boyce, BL AF DelRio, Frank W. Cook, Robert F. Boyce, Brad L. TI Fracture strength of micro- and nano-scale silicon components SO APPLIED PHYSICS REVIEWS LA English DT Review ID SINGLE-CRYSTAL SILICON; THETA-LIKE SPECIMENS; MEASURING MECHANICAL-PROPERTIES; STRESS-CORROSION CRACKING; POLYSILICON THIN-FILMS; TO-DUCTILE TRANSITION; SCANNING-ELECTRON-MICROSCOPE; ATOMIC-FORCE MICROSCOPY; FLIP-CHIP ASSEMBLIES; POLYCRYSTALLINE SILICON AB Silicon devices are ubiquitous in many micro-and nano-scale technological applications, most notably microelectronics and microelectromechanical systems (MEMS). Despite their widespread usage, however, issues related to uncertain mechanical reliability remain a major factor inhibiting the further advancement of device commercialization. In particular, reliability issues related to the fracture of MEMS components have become increasingly important given continued reductions in critical feature sizes coupled with recent escalations in both MEMS device actuation forces and harsh usage conditions. In this review, the fracture strength of micro-and nano-scale silicon components in the context of MEMS is considered. An overview of the crystal structure and elastic and fracture properties of both single-crystal silicon (SCS) and polycrystalline silicon (polysilicon) is presented. Experimental methods for the deposition of SCS and polysilicon films, fabrication of fracture-strength test components, and analysis of strength data are also summarized. SCS and polysilicon fracture strength results as a function of processing conditions, component size and geometry, and test temperature, environment, and loading rate are then surveyed and analyzed to form overarching processing-structure-property-performance relationships. Future studies are suggested to advance our current view of these relationships and their impacts on the manufacturing yield, device performance, and operational reliability of micro-and nano-scale silicon devices. C1 [DelRio, Frank W.] NIST, Appl Chem & Mat Div, Mat Measurement Lab, Boulder, CO 80305 USA. [Cook, Robert F.] NIST, Mat Measurement Sci Div, Mat Measurement Lab, Gaithersburg, MD 20899 USA. [Boyce, Brad L.] Sandia Natl Labs, Ctr Mat Sci & Engn, Albuquerque, NM 87185 USA. RP DelRio, FW (reprint author), NIST, Appl Chem & Mat Div, Mat Measurement Lab, Boulder, CO 80305 USA. EM frank.delrio@nist.gov; robert.cook@nist.gov; blboyce@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 No. DE-AC04-94AL85000. Certain commercial equipment, instruments, or materials are identified in this report in order to specify the experimental procedure adequately. Such identification is neither intended to imply recommendation or endorsement by NIST nor is it intended to imply that the materials or equipment identified are necessarily the best available for the purpose. Contribution of NIST, an agency of the U.S. government; not subject to copyright. NR 282 TC 8 Z9 8 U1 10 U2 47 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1931-9401 J9 APPL PHYS REV JI Appl. Phys. Rev. PD JUN PY 2015 VL 2 IS 2 AR 021303 DI 10.1063/1.4919540 PG 51 WC Physics, Applied SC Physics GA CM3UC UT WOS:000357609200003 ER PT J AU Mbonimpa, EG Gautam, S Lai, L Kumar, S Bonta, JV Wang, X Rafique, R AF Mbonimpa, E. G. Gautam, S. Lai, L. Kumar, S. Bonta, J. V. Wang, X. Rafique, R. TI Combined PEST and Trial-Error approach to improve APEX calibration SO COMPUTERS AND ELECTRONICS IN AGRICULTURE LA English DT Article DE APEX; PEST; Trial and error; Calibration; Surface runoff ID HYDROLOGIC-MODELS; WATER-QUALITY; RUNOFF; CROPLAND; OPTIMIZATION; CONSERVATION; VALIDATION; LANDSCAPES; SIMULATION; EROSION AB The Agricultural Policy Environmental eXtender (APEX), a comprehensive hydrologic model well-suited for small watersheds, requires understanding of the input parameters for improved calibration. The "trial and error" method for calibrating the APEX model has been used very commonly in previous studies. In this study, the automatic calibration software Parameter Estimation (PEST) was combined with the conventional trial-and-error method to improve APEX calibration. The proposed Combined PEST and Trial Error (CPTE) approach can overcome: (i) weaknesses of "Trial Error' method in terms of tediousness and subjectivity involved in the decision to end a calibration, and (ii) drawback of PEST in that it may lead to biased simulation due to ignoring local specific condition. A case study was developed to verify the CPTE approach. The results based on APEX runoff simulation indicate that the CPTE approach greatly improved the calibration of APEX model with respect to model performance criteria. Coupling inverse modeling and trial error manual method can be an efficient and effective alternative in calibrating the APEX model. (C) 2015 Elsevier B.V. All rights reserved. C1 [Mbonimpa, E. G.; Gautam, S.; Lai, L.; Kumar, S.] S Dakota State Univ, Dept Plant Sci, Brookings, SD 57007 USA. [Mbonimpa, E. G.] US Air Force, Dept Syst Engn & Management, Inst Technol, Wright Patterson AFB, OH 45433 USA. [Bonta, J. V.] USDA ARS, Natl Sedimentat Lab, Oxford, MS 38655 USA. [Wang, X.] Texas AgriLife Res, Blackland Res & Extens Ctr, Temple, TX USA. [Rafique, R.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Gautam, S.] Univ Missouri, Dept Bioengn, Columbia, MO 56211 USA. RP Kumar, S (reprint author), S Dakota State Univ, Dept Plant Sci, Brookings, SD 57007 USA. EM Sandeep.Kumar@sdstate.edu FU USDA-NIFA [OHO01089-SS] FX Authors would like to acknowledge the US Department of Agriculture (USDA)-ARS personnel for providing hydrology data for this study. This research is part of a project supported by the USDA-NIFA, Project No. OHO01089-SS, "Quantifying the spatial location of small-scale land management changes in large watersheds using hydrological modeling". NR 50 TC 3 Z9 3 U1 3 U2 7 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0168-1699 EI 1872-7107 J9 COMPUT ELECTRON AGR JI Comput. Electron. Agric. PD JUN PY 2015 VL 114 BP 296 EP 303 DI 10.1016/j.compag.2015.04.014 PG 8 WC Agriculture, Multidisciplinary; Computer Science, Interdisciplinary Applications SC Agriculture; Computer Science GA CL8RI UT WOS:000357241400031 ER PT J AU Ordonez, C Kinnibrugh, TL Xu, HW Lindline, J Timofeeva, T Wei, Q AF Ordonez, Carlos Kinnibrugh, Tiffany L. Xu, Hongwu Lindline, Jennifer Timofeeva, Tatiana Wei, Qiang TI Synthesis of Framework Isomer MOFs Containing Zinc and 4-Tetrazolyl Benzenecarboxylic Acid via a Structure Directing Solvothermal Approach SO CRYSTALS LA English DT Article ID METAL-ORGANIC FRAMEWORKS; SECONDARY BUILDING UNITS; COORDINATION POLYMERS; DESIGN; CHEMISTRY; SORPTION; NETWORK AB The solvothermal synthesis of framework isomers was carried out using the hybrid carboxylate and tetrazolate functional ligand, 4-tetrazolyl benzenecarboxylic acid (H2TBC, TBC = 4-tetrazolyl benzenecarboxylate) and zinc. H2TBC was also synthesized with the solvothermal approach, and is referred herein as structure 1. Using single-crystal X-ray diffraction, we found that the tetrazolate groups of TBC show an unusual "opposite-on" coordination mode with zinc. Three previously characterized metal-organic frameworks (MOFs) were obtained by systematically changing the solvents of the H2TBC-Zn reaction, (1) ZnTBC, 2, which has a non-porous structure; (2) Zn-2(TBC)(2)(H2O), 3, which has an amphiphilic pore structure and (3) Zn-2(TBC)(2){guest}, 4, which is porous and has channels containing uncoordinated N heteroatoms. Fluorescence spectra of 4 reveal a strong blue emission mainly from the TBC ligands. C1 [Ordonez, Carlos; Kinnibrugh, Tiffany L.; Timofeeva, Tatiana; Wei, Qiang] New Mexico Highlands Univ, Dept Biol & Chem, Las Vegas, NM 87701 USA. [Xu, Hongwu] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Lindline, Jennifer] New Mexico Highlands Univ, Dept Nat Resources Management, Las Vegas, NM 87701 USA. RP Ordonez, C (reprint author), New Mexico Highlands Univ, Dept Biol & Chem, Las Vegas, NM 87701 USA. EM cordone1@live.nmhu.edu; tkinnibr@aps.anl.gov; hxu@lanl.gov; lindlinej@nmhu.edu; tvtimofeeva@nmhu.edu; qwei@nmhu.edu OI Xu, Hongwu/0000-0002-0793-6923 FU NSF [DMR-0934212]; EPSCoR [IIA-1301346]; Los Alamos National Laboratory; DOE [DE-AC52-06NA25396] FX This work was funded by the NSF DMR-0934212 (PREM) and EPSCoR IIA-1301346 grants. Some of the work was also supported by the laboratory-directed research and development program of Los Alamos National Laboratory, which is operated by Los Alamos National Security LLC, under DOE Contract DE-AC52-06NA25396. NR 19 TC 2 Z9 2 U1 1 U2 18 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2073-4352 J9 CRYSTALS JI Crystals PD JUN PY 2015 VL 5 IS 2 BP 193 EP 205 DI 10.3390/cryst5020193 PG 13 WC Crystallography; Materials Science, Multidisciplinary SC Crystallography; Materials Science GA CM3LL UT WOS:000357583500002 ER PT J AU Ren, LT Cafferty, K Roni, M Jacobson, J Xie, GH Ovard, L Wright, C AF Ren, Lantian Cafferty, Kara Roni, Mohammad Jacobson, Jacob Xie, Guanghui Ovard, Leslie Wright, Christopher TI Analyzing and Comparing Biomass Feedstock Supply Systems in China: Corn Stover and Sweet Sorghum Case Studies SO ENERGIES LA English DT Article ID MODEL; DELIVERY; IBSAL; COST AB This paper analyzes the rural Chinese biomass supply system and models supply chain operations according to U.S. concepts of logistical unit operations: harvest and collection, storage, transportation, preprocessing, and handling and queuing. In this paper, we quantify the logistics cost of corn stover and sweet sorghum in China under different scenarios. We analyze three scenarios of corn stover logistics from northeast China and three scenarios of sweet sorghum stalks logistics from Inner Mongolia in China. The case study estimates that the logistics cost of corn stover and sweet sorghum stalk to be $52.95/dry metric ton and $52.64/dry metric ton, respectively, for the current labor-based biomass logistics system. However, if the feedstock logistics operation is mechanized, the cost of corn stover and sweet sorghum stalk decreases to $36.01/dry metric ton and $35.76/dry metric ton, respectively. The study also includes a sensitivity analysis to identify the cost factors that cause logistics cost variation. Results of the sensitivity analysis show that labor price has the most influence on the logistics cost of corn stover and sweet sorghum stalk, with a variation of $6 to $12/dry metric ton. C1 [Ren, Lantian] Qiqihar Univ, Coll Light Ind & Text, Qiqihar 161006, Heilongjiang, Peoples R China. [Ren, Lantian; Xie, Guanghui] Natl Energy R&D Ctr Nonfood Biomass, Biomass Logist Dept, Beijing 100193, Peoples R China. [Ren, Lantian; Cafferty, Kara; Roni, Mohammad; Jacobson, Jacob; Ovard, Leslie; Wright, Christopher] Idaho Natl Lab, Biofuels & Renewable Energy Technol, Idaho Falls, ID 83415 USA. [Cafferty, Kara] CH2M Hill Co Ltd, Environm & Nucl Business Grp, Corvallis, OR 97330 USA. [Xie, Guanghui] China Agr Univ, Coll Agron & Biotechnol, Beijing 100193, Peoples R China. RP Roni, M (reprint author), Idaho Natl Lab, Biofuels & Renewable Energy Technol, POB 1625, Idaho Falls, ID 83415 USA. EM lantian.ren@inl.gov; kara.cafferty@inl.gov; mohammad.roni@inl.gov; jacob.jacobson@inl.gov; xiegh@cau.edu.cn; leslie.ovard@inl.gov; christopher.wright@inl.gov OI Ovard, Leslie/0000-0002-9021-8286 FU Bioenergy Technology Office within the Energy Efficiency and Renewable Energy Office of the U.S. Department of Energy FX Support for this research was provided by the Bioenergy Technology Office within the Energy Efficiency and Renewable Energy Office of the U.S. Department of Energy. We are grateful to the following people from the Energy Efficiency and Renewable Energy Office of the U.S. Department of Energy for this analysis: Brian Holuj, Senior Advisor, International; Alison Goss Eng, Chief Operations Officer, Bioenergy Technologies Office; and Kristen Johnson, Technology Manager, Bioenergy Technologies Office. NR 22 TC 2 Z9 2 U1 2 U2 11 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1996-1073 J9 ENERGIES JI Energies PD JUN PY 2015 VL 8 IS 6 BP 5577 EP 5597 DI 10.3390/en8065577 PG 21 WC Energy & Fuels SC Energy & Fuels GA CM2DJ UT WOS:000357489700048 ER PT J AU Dalisay, DS Kim, KW Lee, C Yang, H Rubel, O Bowen, BP Davin, LB Lewis, NG AF Dalisay, Doralyn S. Kim, Kye Won Lee, Choonseok Yang, Hong Ruebel, Oliver Bowen, Benjamin P. Davin, Laurence B. Lewis, Norman G. TI Dirigent Protein-Mediated Lignan and Cyanogenic Glucoside Formation in Flax Seed: Integrated Omics and MALDI Mass Spectrometry Imaging SO JOURNAL OF NATURAL PRODUCTS LA English DT Article ID PINORESINOL-LARICIRESINOL REDUCTASES; LINUM-USITATISSIMUM SEEDS; GENE-EXPRESSION; HIGHER-PLANTS; BIOSYNTHESIS; ACCUMULATION; L.; IMMUNOLOCALIZATION; IDENTIFICATION; LOTAUSTRALIN AB An integrated omics approach using genomics, transcriptomics, metabolomics (MALDI mass spectrometry imaging, MSI), and bioinformatics was employed to study spatiotemporal formation and deposition of health-protecting polymeric lignans and plant defense cyanogenic glucosides. Intact flax (Linum usitatissimum) capsules and seed tissues at different development stages were analyzed. Transcriptome analyses indicated distinct expression patterns of dirigent protein (DP) gene family members encoding (-)- and (+)-pinoresinol-forming DPs and their associated downstream metabolic processes, respectively, with the former expressed at early seed coat development stages. Genes encoding (+)-pinoresinol-forming DPs were, in contrast, expressed at later development stages. Recombinant DP expression and DP assays also unequivocally established their distinct stereoselective biochemical functions. Using MALDI MSI and ion mobility separation analyses, the pinoresinol downstream derivatives, secoisolariciresinol diglucoside (SDG) and SDG hydroxymethylglutaryl ester, were localized and detectable only in early seed coat development stages. SDG derivatives were then converted into higher molecular weight phenolics during seed coat maturation. By contrast, the plant defense cyanogenic glucosides, the monoglucosides linamarin/lotaustralin, were detected throughout the flax capsule, whereas diglucosides linustatin/neolinustatin only accumulated in endosperm and embryo tissues. A putative biosynthetic pathway to the cyanogens is proposed on the basis of transcriptome coexpression data. Localization of all metabolites was at ca. 20 mu m resolution, with the web based tool OpenMSI enabling not only resolution enhancement but also an interactive system for real-time searching for any ion in the tissue under analysis. C1 [Dalisay, Doralyn S.; Kim, Kye Won; Lee, Choonseok; Yang, Hong; Davin, Laurence B.; Lewis, Norman G.] Washington State Univ, Inst Biol Chem, Pullman, WA 99164 USA. [Ruebel, Oliver] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Bowen, Benjamin P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Lewis, NG (reprint author), Washington State Univ, Inst Biol Chem, Pullman, WA 99164 USA. EM lewisn@wsu.edu OI Hwang, Julianne/0000-0002-9222-1729 FU Chemical Sciences, Geosciences and Biosciences Division, DOE Office of Basic Energy Sciences [DE-FG-0397ER20259]; National Science Foundation [MCB-1052557, DBI-1229749]; G. Thomas and Anita Hargrove Center for Plant Genomic Research; Office of Science of the U. S. Department of Energy [DE-AC02-05CH11231] FX The Chemical Sciences, Geosciences and Biosciences Division, DOE Office of Basic Energy Sciences (DE-FG-0397ER20259) is thanked for providing the primary support for the MALDI mass spectrometry imaging and recombinant dirigent protein experimental work/analyses. Thanks are also extended to the National Science Foundation (MCB-1052557), and the G. Thomas and Anita Hargrove Center for Plant Genomic Research, for additional generous financial support. MALDI-MS based imaging analysis was performed on an instrument acquired through a Major Research Instrumentation grant (DBI-1229749) from the National Science Foundation. B.P.B. and O.R. lead the OpenMSI project hosted at the National Energy Research Scientific Computing Center (NERSC) which is supported by the Office of Science of the U. S. Department of Energy under contract DE-AC02-05CH11231. We thank Mark Towers, Emmanuelle Claude, and Tasneem Bahrainwala of Waters Corporation for instrumentation technical assistance. Thanks are also extended to Mia Ryckman for technical assistance. NR 51 TC 15 Z9 16 U1 11 U2 54 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0163-3864 EI 1520-6025 J9 J NAT PROD JI J. Nat. Prod. PD JUN PY 2015 VL 78 IS 6 BP 1231 EP 1242 DI 10.1021/acs.jnatprod.5b00023 PG 12 WC Plant Sciences; Chemistry, Medicinal; Pharmacology & Pharmacy SC Plant Sciences; Pharmacology & Pharmacy GA CL7FQ UT WOS:000357138300007 PM 25981198 ER PT J AU Lee, SY Wang, HM Gharghouri, MA AF Lee, Soo Yeol Wang, Huamiao Gharghouri, Michael A. TI Twinning-Detwinning Behavior during Cyclic Deformation of Magnesium Alloy SO METALS LA English DT Article ID SITU NEUTRON-DIFFRACTION; STRESS-RELAXATION; AL-ALLOY; MG; MECHANISMS; STRAIN; AZ31 AB In situ neutron diffraction has been used to examine the deformation mechanisms of a precipitation-hardened and extruded Mg-8.5wt.%Al alloy subjected to (i) compression followed by reverse tension (texture T1) and (ii) tension followed by reverse compression (texture T2). Two starting textures are used: (1) as-extruded texture, T1, in which the basal pole of most grains is normal to the extrusion axis and a small portion of grains are oriented with the basal pole parallel to the extrusion axis; (2) a reoriented texture, T2, in which the basal pole of most grains is parallel to the extrusion axis. For texture T1, the onset of extension twinning corresponds well with the macroscopic elastic-plastic transition during the initial compression stage. The non-linear macroscopic stress/strain behavior during unloading after compression is more significant than during unloading after tension. For texture T2, little detwinning occurs after the initial tension stage, but almost all of the twinned volumes are detwinned during loading in reverse compression. C1 [Lee, Soo Yeol] Chungnam Natl Univ, Dept Mat Sci & Engn, Taejon 305764, South Korea. [Wang, Huamiao] Los Alamos Natl Lab, Mat Sci & Technol, Los Alamos, NM 87544 USA. [Gharghouri, Michael A.] Canadian Neutron Beam Ctr, Canadian Nucl Labs, Chalk River, ON K0J 1J0, Canada. RP Lee, SY (reprint author), Chungnam Natl Univ, Dept Mat Sci & Engn, Taejon 305764, South Korea. EM sylee2012@cnu.ac.kr; wanghm@lanl.gov; Michael.Gharghouri@cnl.ca RI Wang, Huamiao/F-7693-2010 OI Wang, Huamiao/0000-0002-7167-2483 FU National Research Foundation of Korea (NRF) - Korean government (MSIP) [2013R1A4A1069528, 2013R1A1A1076023] FX This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIP) (No.2013R1A4A1069528, No.2013R1A1A1076023). NR 19 TC 4 Z9 4 U1 3 U2 22 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2075-4701 J9 METALS-BASEL JI Metals PD JUN PY 2015 VL 5 IS 2 BP 881 EP 890 DI 10.3390/met5020881 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CM2KJ UT WOS:000357508400027 ER PT J AU Gledhill, DK White, MM Salisbury, J Thomas, H Mlsna, I Liebman, M Mook, B Grear, J Candelmo, AC Chambers, RC Gobler, CJ Hunt, CW King, AL Price, NN Signorini, SR Standoff, E Stymiest, C Wahle, RA Waller, JD Rebuck, ND Wang, ZHA Capson, TL Morrison, JR Cooley, SR Doney, SC AF Gledhill, Dwight K. White, Meredith M. Salisbury, Joseph Thomas, Helmuth Mlsna, Ivy Liebman, Matthew Mook, Bill Grear, Jason Candelmo, Allison C. Chambers, R. Christopher Gobler, Christopher J. Hunt, Christopher W. King, Andrew L. Price, Nichole N. Signorini, Sergio R. Standoff, Esperanza Stymiest, Cassie Wahle, Richard A. Waller, Jesica D. Rebuck, Nathan D. Wang, Zhaohui A. Capson, Todd L. Morrison, J. Ruairidh Cooley, Sarah R. Doney, Scott C. TI Ocean and Coastal Acidification off New England and Nova Scotia SO OCEANOGRAPHY LA English DT Article ID ELEVATED CARBON-DIOXIDE; CALANUS-FINMARCHICUS GUNNERUS; COD GADUS-MORHUA; ARGOPECTEN-IRRADIANS; JUVENILE BIVALVES; SATURATION STATE; MARINE ORGANISMS; NORTH-ATLANTIC; CLIMATE-CHANGE; UNITED-STATES AB New England coastal and adjacent Nova Scotia shelf waters have a reduced buffering capacity because of significant freshwater input, making the regions waters potentially more vulnerable to coastal acidification. Nutrient loading and heavy precipitation events further acidify the regions poorly buffered coastal waters. Despite the apparent vulnerability of these waters, and fisheries and maricultures significant dependence on calcifying species, the community lacks the ability to confidently predict how the regions ecosystems will respond to continued ocean and coastal acidification. Here, we discuss ocean and coastal acidification processes specific to New England coastal and Nova Scotia shelf waters and review current understanding of the biological consequences most relevant to the region. We also identify key research and monitoring needs to be addressed and highlight existing capacities that should be leveraged to advance a regional understanding of ocean and coastal acidification. C1 [Gledhill, Dwight K.] NOAA, Ocean Acidificat Program, Silver Spring, MD 20910 USA. [White, Meredith M.; Price, Nichole N.; Waller, Jesica D.] Bigelow Lab Ocean Sci, East Boothbay, ME USA. [Salisbury, Joseph] Univ New Hampshire, Ocean Proc Anal Lab, Durham, NH 03824 USA. [Thomas, Helmuth] Dalhousie Univ, Dept Oceanog, Halifax, NS, Canada. [Mlsna, Ivy] US EPA, Off Water, Oak Ridge Inst Sci Educ, Boston, MA USA. [Liebman, Matthew] US EPA, Boston, MA USA. [Mook, Bill] Mook Seafarm Inc, Walpole, ME USA. [Grear, Jason] US EPA, Populat Ecol Branch, Narragansett, RI USA. [Candelmo, Allison C.] NOAA, Northeast Fisheries Sci Ctr NEFSC, Sandy Hook, NJ USA. [Chambers, R. Christopher] NOAA, NEFSC, Sandy Hook, NJ USA. [Gobler, Christopher J.] SUNY Stony Brook, Sch Marine & Atmospher Sci, Stony Brook, NY 11794 USA. [Hunt, Christopher W.] Univ New Hampshire, Nat Resources & Earth Syst Sci PhD Program, Durham, NH 03824 USA. [King, Andrew L.] Norwegian Inst Water Res, Oslo, Norway. [Signorini, Sergio R.] NASA, Sci Applicat Int Corp, Goddard Space Flight Ctr, Crofton, MD USA. [Standoff, Esperanza] Univ Maine Cooperat Extens & Sea Grant, Waldoboro, ME USA. [Stymiest, Cassie] Northeast Reg Assoc Coastal Ocean Observing Syst, Portsmouth, Hants, England. [Wahle, Richard A.] Univ Maine, Darling Marine Ctr, Sch Marine Sci, Walpole, ME 04573 USA. [Waller, Jesica D.] Univ Maine, Sch Marine Sci, Walpole, ME USA. [Rebuck, Nathan D.] NOAA, NEFSC, Narragansett, RI USA. [Wang, Zhaohui A.] Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA. [Capson, Todd L.] Sustainable Fisheries Partnership, Washington, DC USA. [Morrison, J. Ruairidh] NERACOOS, Portsmouth, NH USA. [Cooley, Sarah R.] Ocean Conservancy, Washington, DC USA. [Doney, Scott C.] WHOI, Marine Chem & Geochem, Woods Hole, MA USA. RP Gledhill, DK (reprint author), NOAA, Ocean Acidificat Program, Silver Spring, MD 20910 USA. EM dwight.gledhill@noaa.gov RI Doney, Scott/F-9247-2010; OI Doney, Scott/0000-0002-3683-2437; White, Meredith/0000-0001-8113-9618; Hunt, Christopher/0000-0001-8061-4560 FU National Oceanic and Atmospheric Administration (NOAA) US Integrated Ocean Observing System (IOOS) Award [NA11NOS0120034]; Internship/Research Participation Program at the Office of Water, US Environmental Protection Agency (EPA); NASA [NNX14AL84G NASA-CCS] FX NECAN thanks the presenters of the NECAN webinar series and participants at the state-of-science workshop for thoughtful insights. For a complete listing of participants and contributors, please consult the NECAN website (http://www.neracoos.org/necan). NECAN is coordinated in part by NERACOOS (http://www.neracoos.org), with funding from the National Oceanic and Atmospheric Administration (NOAA) US Integrated Ocean Observing System (IOOS) Award #NA11NOS0120034. This project was supported in part by an appointment to the Internship/Research Participation Program at the Office of Water, US Environmental Protection Agency (EPA), administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the US Department of Energy and the EPA. JS acknowledges support from NASA grant from NNX14AL84G NASA-CCS. The scientific results and conclusions, as well as any views or opinions expressed herein, are those of the authors and do not necessarily reflect the views of any of the federal agencies with which any of the contributing authors may be affiliated. NR 94 TC 5 Z9 5 U1 7 U2 50 PU OCEANOGRAPHY SOC PI ROCKVILLE PA P.O. BOX 1931, ROCKVILLE, MD USA SN 1042-8275 J9 OCEANOGRAPHY JI Oceanography PD JUN PY 2015 VL 28 IS 2 SI SI BP 182 EP 197 DI 10.5670/oceanog.2015.41 PG 16 WC Oceanography SC Oceanography GA CL8NP UT WOS:000357231700019 ER PT J AU Garcia, HE Cosca, C Kozyr, A Mayorga, E Chandler, C Thomas, RW O'Brien, K Appeltans, W Hankin, S Newton, JA Gutierrez, A Gattuso, JP Hansson, L Zweng, M Pfeil, B AF Garcia, Hernan E. Cosca, Cathy Kozyr, Alex Mayorga, Emilio Chandler, Cynthia Thomas, Robert W. O'Brien, Kevin Appeltans, Ward Hankin, Steve Newton, Jan A. Gutierrez, Angelica Gattuso, Jean-Pierre Hansson, Lina Zweng, Melissa Pfeil, Benjamin TI Data Management Strategy to Improve Global Use of Ocean Acidification Data and Information SO OCEANOGRAPHY LA English DT Article AB Ocean acidification (OA) refers to the general decrease in pH of the global ocean as a result of absorbing anthropogenic CO2 emitted in the atmosphere since preindustrial times (sabine et al., 2004). There is, however, considerable variability in ocean acidification, and many careful measurements need to be made and compared in order to obtain scientifically valid information for the assessment of patterns, trends, and impacts over a range of spatial and temporal scales, and to understand the process involved. A single country or institution cannot undertaken measurements of worldwide coastal and open ocean OA changes; therefore, international cooperation is needed to achieve that goal. The OA data that have been, and are being, collected represent a significant public investment. To this end, it is critically important that researchers (and others) around the world are easily able to find and use reliable OA information that range from observing data (from time-series moorings, process studies, and research cruises), to biological response experiments (e.g., mesocosm), data products, and model output. C1 [Garcia, Hernan E.; Zweng, Melissa] NOAA, Natl Ctr Environm Informat, Natl Oceanog Data Ctr, Silver Spring, MD USA. [Cosca, Cathy; Hankin, Steve] NOAA, Pacific Marine Environm Lab, Seattle, WA 98115 USA. [Kozyr, Alex] Oak Ridge Natl Lab, Carbon Dioxide Informat Anal Ctr, Oak Ridge, TN USA. [Mayorga, Emilio; Newton, Jan A.] Univ Washington, Appl Phys Lab, Seattle, WA 98105 USA. [Chandler, Cynthia] Woods Hole Oceanog Inst, Biol & Chem Oceanog Data Management Off, Woods Hole, MA 02543 USA. [Thomas, Robert W.] British Oceanog Data Ctr, Liverpool, Merseyside, England. [O'Brien, Kevin] Univ Washington, Joint Inst Study Atmosphere & Ocean JSIAO, Seattle, WA 98195 USA. [Appeltans, Ward] UNESCO, Intergovt Oceanog Commiss, Int Oceanog Data & Informat Exchange IODE, Oostende, Belgium. [Gutierrez, Angelica] NOAA, Natl Weather Serv, Silver Spring, MD 20910 USA. [Gattuso, Jean-Pierre] Univ Paris 06, CNRS, Villefranche Sur Mer, France. [Hansson, Lina] IAEA, Environm Labs, Ocean Acidificat Int Coordinat Ctr, Monaco, Monaco. [Pfeil, Benjamin] Univ Bergen, Bergen, Norway. RP Garcia, HE (reprint author), NOAA, Natl Ctr Environm Informat, Natl Oceanog Data Ctr, Silver Spring, MD USA. EM hernan.garcia@noaa.gov NR 4 TC 3 Z9 3 U1 2 U2 7 PU OCEANOGRAPHY SOC PI ROCKVILLE PA P.O. BOX 1931, ROCKVILLE, MD USA SN 1042-8275 J9 OCEANOGRAPHY JI Oceanography PD JUN PY 2015 VL 28 IS 2 SI SI BP 226 EP 228 PG 3 WC Oceanography SC Oceanography GA CL8NP UT WOS:000357231700022 ER PT J AU Wagner, JL Casper, KM Beresh, SJ Hunter, PS Spillers, RW Henfling, JF Mayes, RL AF Wagner, Justin L. Casper, Katya M. Beresh, Steven J. Hunter, Patrick S. Spillers, Russell W. Henfling, John F. Mayes, Randall L. TI Fluid-structure interactions in compressible cavity flows SO PHYSICS OF FLUIDS LA English DT Article ID OSCILLATIONS AB Experiments were performed to understand the complex fluid-structure interactions that occur during aircraft internal store carriage. A cylindrical store was installed in a rectangular cavity having a length-to-depth ratio of 3.33 and a length-to-width ratio of 1. The Mach number ranged from 0.6 to 2.5 and the incoming boundary layer was turbulent. Fast-response pressure measurements provided aeroacoustic loading in the cavity, while triaxial accelerometers provided simultaneous store response. Despite occupying only 6% of the cavity volume, the store significantly altered the cavity acoustics. The store responded to the cavity flow at its natural structural frequencies, and it exhibited a directionally dependent response to cavity resonance. Specifically, cavity tones excited the store in the streamwise and wall-normal directions consistently, whereas a spanwise response was observed only occasionally. The streamwise and wall-normal responses were attributed to the longitudinal pressure waves and shear layer vortices known to occur during cavity resonance. Although the spanwise response to cavity tones was limited, broadband pressure fluctuations resulted in significant spanwise accelerations at store natural frequencies. The largest vibrations occurred when a cavity tone matched a structural natural frequency, although energy was transferred more efficiently to natural frequencies having predominantly streamwise and wall-normal motions. (C) 2015 AIP Publishing LLC. C1 [Wagner, Justin L.; Casper, Katya M.; Beresh, Steven J.; Hunter, Patrick S.; Spillers, Russell W.; Henfling, John F.; Mayes, Randall L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wagner, JL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. OI Casper, Katya/0000-0003-1405-5240 FU Sandia National Laboratories; United States Department of Energy; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work is supported by Sandia National Laboratories and the United States Department of Energy. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 30 TC 5 Z9 5 U1 0 U2 19 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-6631 EI 1089-7666 J9 PHYS FLUIDS JI Phys. Fluids PD JUN PY 2015 VL 27 IS 6 AR 066102 DI 10.1063/1.4922021 PG 20 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA CM4XG UT WOS:000357688800054 ER PT J AU Breslau, JA Bhattacharjee, A AF Breslau, J. A. Bhattacharjee, A. TI Wall-touching kink mode calculations with the M3D code SO PHYSICS OF PLASMAS LA English DT Article AB This paper seeks to address a controversy regarding the applicability of the 3D nonlinear extended MHD code M3D [W. Park et al., Phys. Plasmas 6, 1796 (1999)] and similar codes to calculations of the electromagnetic interaction of a disrupting tokamak plasma with the surrounding vessel structures. M3D is applied to a simple test problem involving an external kink mode in an ideal cylindrical plasma, used also by the Disruption Simulation Code (DSC) as a model case for illustrating the nature of transient vessel currents during a major disruption. While comparison of the results with those of the DSC is complicated by effects arising from the higher dimensionality and complexity of M3D, we verify that M3D is capable of reproducing both the correct saturation behavior of the free boundary kink and the "Hiro" currents arising when the kink interacts with a conducting tile surface interior to the ideal wall. (C) 2015 AIP Publishing LLC. C1 [Breslau, J. A.; Bhattacharjee, A.] Princeton Plasma Phys Lab, Princeton, NJ 08542 USA. RP Breslau, JA (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08542 USA. EM jbreslau@pppl.gov FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors gratefully acknowledge useful discussions with Stephen Jardin, Harry Mynick, Chung-Sang Ng, Hank Strauss, and Leonid Zakharov. This research used resources of the National Energy Research Scientific Computing Center, which was supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 8 TC 0 Z9 0 U1 4 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2015 VL 22 IS 6 AR 062506 DI 10.1063/1.4922760 PG 7 WC Physics, Fluids & Plasmas SC Physics GA CM4XN UT WOS:000357689500033 ER PT J AU Bulanov, SV Yogo, A Esirkepov, TZ Koga, JK Bulanov, SS Kondo, K Kando, M AF Bulanov, S. V. Yogo, A. Esirkepov, T. Zh. Koga, J. K. Bulanov, S. S. Kondo, K. Kando, M. TI Stochastic regimes in the driven oscillator with a step-like nonlinearity SO PHYSICS OF PLASMAS LA English DT Article ID INTENSE LASER-PULSES; ABSORPTION AB A nonlinear oscillator with an abruptly inhomogeneous restoring force driven by an uniform oscillating force exhibits stochastic properties under specific resonance conditions. This behaviour elucidates the elementary mechanism of the electron energization in the strong electromagnetic wave interaction with thin targets. (C) 2015 AIP Publishing LLC. C1 [Bulanov, S. V.; Esirkepov, T. Zh.; Koga, J. K.; Kondo, K.; Kando, M.] Japan Atom Energy Agcy, Kansai Photon Sci Inst, Kizugawa, Kyoto 6190215, Japan. [Yogo, A.] Osaka Univ, Inst Laser Engn, Suita, Osaka 5650871, Japan. [Bulanov, S. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Bulanov, SV (reprint author), Japan Atom Energy Agcy, Kansai Photon Sci Inst, 8-1-7 Umemidai, Kizugawa, Kyoto 6190215, Japan. RI Bulanov, Sergei/A-1721-2013; Yogo, Akifumi/M-1174-2015 FU MEXT [25420911]; NEXT Program of JSPS; JSPS [25390135] FX This work was supported by a Scientific Research (C) No. 25420911 commissioned by MEXT and partially supported by NEXT Program of JSPS. S.V.B. is grateful to Professor S. I. Krasheninnikov for discussions and to Professor F. Pegoraro for useful comments. A.Y. appreciates fruitful discussions with Professor S. Fujioka and H. Azechi of ILE. T.Zh.E. acknowledges the support from JSPS (Grant No. 25390135). NR 36 TC 2 Z9 2 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2015 VL 22 IS 6 AR 063108 DI 10.1063/1.4922679 PG 11 WC Physics, Fluids & Plasmas SC Physics GA CM4XN UT WOS:000357689500060 ER PT J AU Gates, DA Brennan, DP Delgado-Aparicio, L White, RB AF Gates, D. A. Brennan, D. P. Delgado-Aparicio, L. White, R. B. TI The tokamak density limit: A thermo-resistive disruption mechanism SO PHYSICS OF PLASMAS LA English DT Article ID TEARING MODE; PLASMAS AB The behavior of magnetic islands with 3D electron temperature and the corresponding 3D resistivity effects on growth are examined for islands with near-zero net heating in the island interior. We refer to the resulting class of non-linearities as thermo-resistive effects. In particular, the effects of varying impurity mix on the previously proposed local island onset threshold [Gates and Delgado-Aparicio, Phys. Rev. Lett. 108, 165004 (2012)] are examined and shown to be consistent with the well established experimental scalings for tokamaks at the density limit. A surprisingly simple semi-analytic theory is developed which imposes the effects of heating/cooling in the island interior as well as the effects of island geometry. For the class of current profiles considered, it is found that a new term that accounts for the thermal effects of island asymmetry is required in the modified Rutherford equation. The resultant model is shown to exhibit a robust onset of a rapidly growing tearing mode-consistent with the disruption mechanism observed at the density limit in tokamaks. A fully non-linear 3D cylindrical calculation is performed that simulates the effect of net island heating/cooling by raising/suppressing the temperature in the core of the island. In both the analytic theory and the numerical simulation, the sudden threshold for rapid growth is found to be due to an interaction between three distinct thermal non-linearities which affect the island resistivity, thereby modifying the growth dynamics. (C) 2015 AIP Publishing LLC. C1 [Gates, D. A.; Brennan, D. P.; Delgado-Aparicio, L.; White, R. B.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Gates, DA (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI White, Roscoe/D-1773-2013 OI White, Roscoe/0000-0002-4239-2685 FU U.S. Department of Energy [DE-AC02-09CH11466, DE-SC0004125] FX This work was supported by the U.S. Department of Energy Grant under Contract Nos. DE-AC02-09CH11466 and DE-SC0004125. NR 17 TC 6 Z9 6 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2015 VL 22 IS 6 AR 060701 DI 10.1063/1.4922472 PG 5 WC Physics, Fluids & Plasmas SC Physics GA CM4XN UT WOS:000357689500001 ER PT J AU Harilal, SS Brumfield, BE Phillips, MC AF Harilal, S. S. Brumfield, B. E. Phillips, M. C. TI Lifecycle of laser-produced air sparks SO PHYSICS OF PLASMAS LA English DT Article ID INDUCED BREAKDOWN SPECTROSCOPY; 1.06 MU-M; INDUCED PLASMA; SHOCK-WAVE; EMISSION; RADIATION; LIBS; INSTABILITY; IONIZATION; MOLECULES AB We investigated the lifecycle of laser-generated air sparks or plasmas using multiple plasma diagnostic tools. The sparks were generated by focusing the fundamental radiation from an Nd:YAG laser in air, and studies included early and late time spark dynamics, decoupling of the shock wave from the plasma core, emission from the spark kernel, cold gas excitation by UV radiation, shock waves produced by the air spark, and the spark's final decay and turbulence formation. The shadowgraphic and self-emission images showed similar spark morphology at earlier and late times of its lifecycle; however, significant differences are seen in the midlife images. Spectroscopic studies in the visible region showed intense blackbody-type radiation at early times followed by clearly resolved ionic, atomic, and molecular emission. The detected spectrum at late times clearly contained emission from both CN and N-2(+). Additional spectral features have been identified at late times due to emission from O and N atoms, indicating some degree of molecular dissociation and excitation. Detailed spatially and temporally resolved emission analysis provides insight about various physical mechanisms leading to molecular and atomic emission by air sparks, including spark plasma excitation, heating of cold air by UV radiation emitted by the spark, and shock-heating. (C) 2015 AIP Publishing LLC. C1 [Harilal, S. S.; Brumfield, B. E.; Phillips, M. C.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Harilal, SS (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM hari@pnnl.gov RI Harilal, Sivanandan/B-5438-2014 OI Harilal, Sivanandan/0000-0003-2266-7976 FU DOE/NNSA Office of Nonproliferation and Verification Research and Development [NA-22]; U.S. Department of Energy (DOE) by the Battelle Memorial Institute [DE-AC05-76RL01830] FX This work was supported by the DOE/NNSA Office of Nonproliferation and Verification Research and Development (NA-22). The Pacific Northwest National Laboratory was operated for the U.S. Department of Energy (DOE) by the Battelle Memorial Institute under Contract No. DE-AC05-76RL01830. We thank Bret D. Cannon for valuable discussions, while preparing the manuscript. NR 51 TC 7 Z9 7 U1 2 U2 21 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2015 VL 22 IS 6 AR 063301 DI 10.1063/1.4922076 PG 13 WC Physics, Fluids & Plasmas SC Physics GA CM4XN UT WOS:000357689500068 ER PT J AU May, MJ Fournier, KB Colvin, JD Barrios, MA Dewald, EL Hohenberger, M Moody, J Patterson, JR Schneider, M Widmann, K Regan, SP AF May, M. J. Fournier, K. B. Colvin, J. D. Barrios, M. A. Dewald, E. L. Hohenberger, M. Moody, J. Patterson, J. R. Schneider, M. Widmann, K. Regan, S. P. TI Bright x-ray stainless steel K-shell source development at the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article ID CONVERSION EFFICIENCY; OMEGA LASER; PLASMAS; TARGETS; SYSTEM AB High x-ray conversion efficiency (XRCE) K-shell sources are being developed for high energy density experiments for use as backlighters and for the testing of materials exposed to high x-ray fluxes and fluences. Recently, sources with high XRCE in the K-shell x-ray energy range of iron and nickel were investigated at the National Ignition Facility (NIF). The x-ray conversion efficiency in the 5-9 keV spectral range was determined to be 6.8% +/- 60.3%. These targets were 4.1mm diameter, 4mm tall hollow epoxy tubes having a 50 mu m thick wall supporting a tube of 3 to 3.5 mu m thick stainless steel. The NIF laser deposited similar to 460 kJ of 3 omega light into the target in a 140 TW, 3.3 ns square pulse. The absolute x-ray emission of the source was measured by two calibrated Dante x-ray spectrometers. Time resolved images filtered for the Fe K-shell were recorded to follow the heating of the target. Time integrated high-resolution spectra were recorded in the K-shell range. (C) 2015 AIP Publishing LLC. C1 [May, M. J.; Fournier, K. B.; Colvin, J. D.; Barrios, M. A.; Dewald, E. L.; Moody, J.; Patterson, J. R.; Schneider, M.; Widmann, K.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Hohenberger, M.; Regan, S. P.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. RP May, MJ (reprint author), Lawrence Livermore Natl Lab, POB 808 L170, Livermore, CA 94551 USA. FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was done under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 60 TC 4 Z9 4 U1 4 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2015 VL 22 IS 6 AR 063305 DI 10.1063/1.4922751 PG 13 WC Physics, Fluids & Plasmas SC Physics GA CM4XN UT WOS:000357689500072 ER PT J AU Meezan, NB Hopkins, LFB Le Pape, S Divol, L MacKinnon, AJ Doppner, T Ho, DD Jones, OS Khan, SF Ma, T Milovich, JL Pak, AE Ross, JS Thomas, CA Benedetti, LR Bradley, DK Celliers, PM Clark, DS Field, JE Haan, SW Izumi, N Kyrala, GA Moody, JD Patel, PK Ralph, JE Rygg, JR Sepke, SM Spears, BK Tommasini, R Town, RPJ Biener, J Bionta, RM Bond, EJ Caggiano, JA Eckart, MJ Johnson, MG Grim, GP Hamza, AV Hartouni, EP Hatarik, R Hoover, DE Kilkenny, JD Kozioziemski, BJ Kroll, JJ McNaney, JM Nikroo, A Sayre, DB Stadermann, M Wild, C Yoxall, BE Landen, OL Hsing, WW Edwards, MJ AF Meezan, N. B. Hopkins, L. F. Berzak Le Pape, S. Divol, L. MacKinnon, A. J. Doeppner, T. Ho, D. D. Jones, O. S. Khan, S. F. Ma, T. Milovich, J. L. Pak, A. E. Ross, J. S. Thomas, C. A. Benedetti, L. R. Bradley, D. K. Celliers, P. M. Clark, D. S. Field, J. E. Haan, S. W. Izumi, N. Kyrala, G. A. Moody, J. D. Patel, P. K. Ralph, J. E. Rygg, J. R. Sepke, S. M. Spears, B. K. Tommasini, R. Town, R. P. J. Biener, J. Bionta, R. M. Bond, E. J. Caggiano, J. A. Eckart, M. J. Johnson, M. Gatu Grim, G. P. Hamza, A. V. Hartouni, E. P. Hatarik, R. Hoover, D. E. Kilkenny, J. D. Kozioziemski, B. J. Kroll, J. J. McNaney, J. M. Nikroo, A. Sayre, D. B. Stadermann, M. Wild, C. Yoxall, B. E. Landen, O. L. Hsing, W. W. Edwards, M. J. TI Cryogenic tritium-hydrogen-deuterium and deuterium-tritium layer implosions with high density carbon ablators in near-vacuum hohlraums SO PHYSICS OF PLASMAS LA English DT Article ID NATIONAL IGNITION FACILITY; TARGETS AB High Density Carbon (or diamond) is a promising ablator material for use in near-vacuum hohl-raums, as its high density allows for ignition designs with laser pulse durations of < 10 ns. A series of Inertial Confinement Fusion (ICF) experiments in 2013 on the National Ignition Facility [Moses et al., Phys. Plasmas 16, 041006 (2009)] culminated in a deuterium-tritium (DT) layered implosion driven by a 6.8 ns, 2-shock laser pulse. This paper describes these experiments and comparisons with ICF design code simulations. Backlit radiography of a tritium-hydrogen-deuterium (THD) layered capsule demonstrated an ablator implosion velocity of 385 km/s with a slightly oblate hot spot shape. Other diagnostics suggested an asymmetric compressed fuel layer. A streak camera-based hot spot self-emission diagnostic (SPIDER) showed a double-peaked history of the capsule self-emission. Simulations suggest that this is a signature of low quality hot spot formation. Changes to the laser pulse and pointing for a subsequent DT implosion resulted in a higher temperature, prolate hot spot and a thermonuclear yield of 1.8 x 10(15) neutrons, 40% of the 1D simulated yield. (C) 2015 AIP Publishing LLC. C1 [Meezan, N. B.; Hopkins, L. F. Berzak; Le Pape, S.; Divol, L.; MacKinnon, A. J.; Doeppner, T.; Ho, D. D.; Jones, O. S.; Khan, S. F.; Ma, T.; Milovich, J. L.; Pak, A. E.; Ross, J. S.; Thomas, C. A.; Benedetti, L. R.; Bradley, D. K.; Celliers, P. M.; Clark, D. S.; Field, J. E.; Haan, S. W.; Izumi, N.; Moody, J. D.; Patel, P. K.; Ralph, J. E.; Rygg, J. R.; Sepke, S. M.; Spears, B. K.; Tommasini, R.; Town, R. P. J.; Biener, J.; Bionta, R. M.; Bond, E. J.; Caggiano, J. A.; Eckart, M. J.; Grim, G. P.; Hamza, A. V.; Hartouni, E. P.; Hatarik, R.; Kozioziemski, B. J.; Kroll, J. J.; Sayre, D. B.; Stadermann, M.; Yoxall, B. E.; Landen, O. L.; Hsing, W. W.; Edwards, M. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Kyrala, G. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Johnson, M. Gatu] MIT, Cambridge, MA 02139 USA. [Hoover, D. E.; Kilkenny, J. D.; McNaney, J. M.; Nikroo, A.] Gen Atom Co, San Diego, CA 93286 USA. [Wild, C.] Diamond Mat GMBH, D-79108 Freiburg, Germany. RP Meezan, NB (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM meezan1@llnl.gov RI lepape, sebastien/J-3010-2015; MacKinnon, Andrew/P-7239-2014; IZUMI, Nobuhiko/J-8487-2016; Patel, Pravesh/E-1400-2011; Tommasini, Riccardo/A-8214-2009 OI MacKinnon, Andrew/0000-0002-4380-2906; IZUMI, Nobuhiko/0000-0003-1114-597X; Tommasini, Riccardo/0000-0002-1070-3565 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The author would like to acknowledge the efforts of the NIF operations, laser performance, target diagnostics, and target fabrication teams. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 31 TC 13 Z9 13 U1 2 U2 27 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2015 VL 22 IS 6 AR 062703 DI 10.1063/1.4921947 PG 12 WC Physics, Fluids & Plasmas SC Physics GA CM4XN UT WOS:000357689500042 ER PT J AU Merritt, EC Doss, FW Loomis, EN Flippo, KA Kline, JL AF Merritt, E. C. Doss, F. W. Loomis, E. N. Flippo, K. A. Kline, J. L. TI Modifying mixing and instability growth through the adjustment of initial conditions in a high-energy-density counter-propagating shear experiment on OMEGA SO PHYSICS OF PLASMAS LA English DT Article ID LAYERS; TURBULENCE AB Counter-propagating shear experiments conducted at the OMEGA Laser Facility have been evaluating the effect of target initial conditions, specifically the characteristics of a tracer foil located at the shear boundary, on Kelvin-Helmholtz instability evolution and experiment transition toward nonlinearity and turbulence in the high-energy-density (HED) regime. Experiments are focused on both identifying and uncoupling the dependence of the model initial turbulent length scale in variable-density turbulence models of k-epsilon type on competing physical instability seed lengths as well as developing a path toward fully developed turbulent HED experiments. We present results from a series of experiments controllably and independently varying two initial types of scale lengths in the experiment: the thickness and surface roughness (surface perturbation scale spectrum) of a tracer layer at the shear interface. We show that decreasing the layer thickness and increasing the surface roughness both have the ability to increase the relative mixing in the system, and thus theoretically decrease the time required to begin transitioning to turbulence in the system. We also show that we can connect a change in observed mix width growth due to increased foil surface roughness to an analytically predicted change in model initial turbulent scale lengths. (C) 2015 AIP Publishing LLC. C1 [Merritt, E. C.; Doss, F. W.; Loomis, E. N.; Flippo, K. A.; Kline, J. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Merritt, EC (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM emerritt@lanl.gov RI Flippo, Kirk/C-6872-2009; OI Flippo, Kirk/0000-0002-4752-5141; Kline, John/0000-0002-2271-9919 FU U.S. Department of Energy [DE-AC52-06NA25396] FX The authors would like to extend their gratitude for their experiment contributions to Tom Sedillo and the LANL P-24 operations team, the MST-7 target fabrication team, especially Deanna Capelli, Tana Cardenas, Derek Schmidt and Jim Williams (now at Sandia National Laboratory), and Emilio Giraldez and the rest of the General Atomics target fabrication team. We thank Ricardo Mejia-Alvarez (LANL P-23) for useful fluid dynamics discussion and Jonathan Hager for physics and experiment design discussion. This work was supported by the U.S. Department of Energy and performed by Los Alamos National Laboratory, operated by Los Alamos National Security under Contract No. DE-AC52-06NA25396. NR 32 TC 6 Z9 6 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2015 VL 22 IS 6 AR 062306 DI 10.1063/1.4922910 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CM4XN UT WOS:000357689500025 ER PT J AU Mikkelsen, DR Bitter, M Delgado-Aparicio, L Hill, KW Greenwald, M Howard, NT Hughes, JW Rice, JE Reinke, ML Podpaly, Y Ma, Y Candy, J Waltz, RE AF Mikkelsen, D. R. Bitter, M. Delgado-Aparicio, L. Hill, K. W. Greenwald, M. Howard, N. T. Hughes, J. W. Rice, J. E. Reinke, M. L. Podpaly, Y. Ma, Y. Candy, J. Waltz, R. E. TI Multispecies density peaking in gyrokinetic turbulence simulations of low collisionality Alcator C-Mod plasmas SO PHYSICS OF PLASMAS LA English DT Article ID TEMPERATURE-GRADIENT TURBULENCE; TRANSPORT; ELECTRON; TOKAMAKS; SCALINGS; GEOMETRY AB Peaked density profiles in low-collisionality AUG and JET H-mode plasmas are probably caused by a turbulently driven particle pinch, and Alcator C-Mod experiments confirmed that collisionality is a critical parameter. Density peaking in reactors could produce a number of important effects, some beneficial, such as enhanced fusion power and transport of fuel ions from the edge to the core, while others are undesirable, such as lower beta limits, reduced radiation from the plasma edge, and consequently higher divertor heat loads. Fundamental understanding of the pinch will enable planning to optimize these impacts. We show that density peaking is predicted by nonlinear gyrokinetic turbulence simulations based on measured profile data from low collisionality H-mode plasma in Alcator C-Mod. Multiple ion species are included to determine whether hydrogenic density peaking has an isotope dependence or is influenced by typical levels of low-Z impurities, and whether impurity density peaking depends on the species. We find that the deuterium density profile is slightly more peaked than that of hydrogen, and that experimentally relevant levels of boron have no appreciable effect on hydrogenic density peaking. The ratio of density at r/a = 0.44 to that at r/a = 0.74 is 1.2 for the majority D and minority H ions (and for electrons), and increases with impurity Z: 1.1 for helium, 1.15 for boron, 1.3 for neon, 1.4 for argon, and 1.5 for molybdenum. The ion temperature profile is varied to match better the predicted heat flux with the experimental transport analysis, but the resulting factor of two change in heat transport has only a weak effect on the predicted density peaking. (C) 2015 AIP Publishing LLC. C1 [Mikkelsen, D. R.; Bitter, M.; Delgado-Aparicio, L.; Hill, K. W.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Greenwald, M.; Howard, N. T.; Hughes, J. W.; Rice, J. E.; Reinke, M. L.; Podpaly, Y.; Ma, Y.] MIT Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Reinke, M. L.] Univ York, Dept Phys, York Plasma Inst, York YO10 5DD, N Yorkshire, England. [Podpaly, Y.] NSF, Directorate Engn, Arlington, VA 22230 USA. [Ma, Y.] ITER Org, F-13067 St Paul Les Durance, France. [Candy, J.; Waltz, R. E.] Gen Atom Co, San Diego, CA 92186 USA. RP Mikkelsen, DR (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM dmikkelsen@pppl.gov OI Hughes, Jerry/0000-0003-4802-4944 FU U.S. Department of Energy [DE-AC02-09CH11466, DE-FC02-99ER54512, DE-FG02-95ER54309]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank C. Angioni for enlightening discussions, D. R. Ernst for his least-squares spline-fitting software, and M. A. Chilenski for providing his Gaussian process regression fitting software.67 This work was supported by U.S. Department of Energy Contract Nos. DE-AC02-09CH11466, DE-FC02-99ER54512, and DE-FG02-95ER54309, and used data obtained from the Alcator C-Mod tokamak, a DOE Office of Science user facility. This research used resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Use of parallel computer clusters at PPPL is also gratefully acknowledged. Any opinion, finding, conclusion, or recommendation expressed in this material are those of the author and do not necessarily reflect the views of the National Science Foundation. NR 83 TC 2 Z9 2 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2015 VL 22 IS 6 AR 062301 DI 10.1063/1.4922069 PG 13 WC Physics, Fluids & Plasmas SC Physics GA CM4XN UT WOS:000357689500020 ER PT J AU Qi, TT Millot, M Kraus, RG Root, S Hamel, S AF Qi, Tingting Millot, Marius Kraus, Richard G. Root, Seth Hamel, Sebastien TI Optical and transport properties of dense liquid silica SO PHYSICS OF PLASMAS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; AB-INITIO; REFRACTIVE-INDEX; SHOCK COMPRESSION; ALUMINUM; QUARTZ AB Using density-functional-theory based molecular dynamics and the Kubo-Greenwood linear response theory, we evaluated the high-pressure equation of state and the optical and transport properties of quartz and fused silica shock-compressed to 2000 GPa. The computed Hugoniots and corresponding optical reflectivity values are in very good agreement with published data for quartz, and new data that we obtained on fused silica using magnetically launched flyer plate experiments. The rise of optical reflectivity upon shock compression appears to be primarily a temperature-driven mechanism, which is relatively insensitive to small density variation. We observed that the electrical conductivity does not display Drude-like frequency dependence, especially at lower temperatures. In addition, the Wiedemann-Franz relation between electrical and thermal conductivities was found to be invalid. It suggests that even at three-fold compression, warm dense liquid silica on the Hugoniot curve is still far away from the degenerate limit. (C) 2015 AIP Publishing LLC. C1 [Qi, Tingting; Millot, Marius; Kraus, Richard G.; Hamel, Sebastien] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Root, Seth] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Qi, TT (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. OI Millot, Marius/0000-0003-4414-3532 FU NASA [NNH12AU44I]; U.S. Department of Energy by LLNL [DE-AC52-07NA27344]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We gratefully acknowledge the funding support from NASA under Contract No. NNH12AU44I. Authors acknowledge inspiring discussions with Peter Celliers, Damien Hicks, Marcus Knudson, and Ryan Rygg. Extensive computational support was provided by the Lawrence Livermore National Laboratory (LLNL) Computing facility. This work was partly performed under the auspices of the U.S. Department of Energy by LLNL under Contract No. DE-AC52-07NA27344. 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 No. DE-AC04-94AL85000. NR 38 TC 6 Z9 7 U1 3 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2015 VL 22 IS 6 AR 062706 DI 10.1063/1.4922471 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CM4XN UT WOS:000357689500045 ER PT J AU Rosenberg, MJ Seguin, FH Amendt, PA Atzeni, S Rinderknecht, HG Hoffman, NM Zylstra, AB Li, CK Sio, H Johnson, MG Frenje, JA Petrasso, RD Glebov, VY Stoeckl, C Seka, W Marshall, FJ Delettrez, JA Sangster, TC Betti, R Wilks, SC Pino, J Kagan, G Molvig, K Nikroo, A AF Rosenberg, M. J. Seguin, F. H. Amendt, P. A. Atzeni, S. Rinderknecht, H. G. Hoffman, N. M. Zylstra, A. B. Li, C. K. Sio, H. Johnson, M. Gatu Frenje, J. A. Petrasso, R. D. Glebov, V. Yu. Stoeckl, C. Seka, W. Marshall, F. J. Delettrez, J. A. Sangster, T. C. Betti, R. Wilks, S. C. Pino, J. Kagan, G. Molvig, K. Nikroo, A. TI Assessment of ion kinetic effects in shock-driven inertial confinement fusion implosions using fusion burn imaging SO PHYSICS OF PLASMAS LA English DT Article ID NATIONAL-IGNITION-FACILITY; OMEGA; PLASMAS; PERFORMANCE; TRANSPORT; TARGETS AB The significance and nature of ion kinetic effects in (DHe)-He-3-filled, shock-driven inertial confinement fusion implosions are assessed through measurements of fusion burn profiles. Over this series of experiments, the ratio of ion-ion mean free path to minimum shell radius (the Knudsen number, N-K) was varied from 0.3 to 9 in order to probe hydrodynamic-like to strongly kinetic plasma conditions; as the Knudsen number increased, hydrodynamic models increasingly failed to match measured yields, while an empirically-tuned, first-step model of ion kinetic effects better captured the observed yield trends [Rosenberg et al., Phys. Rev. Lett. 112, 185001 (2014)]. Here, spatially resolved measurements of the fusion burn are used to examine kinetic ion transport effects in greater detail, adding an additional dimension of understanding that goes beyond zero-dimensional integrated quantities to one-dimensional profiles. In agreement with the previous findings, a comparison of measured and simulated burn profiles shows that models including ion transport effects are able to better match the experimental results. In implosions characterized by large Knudsen numbers (N-K similar to 3), the fusion burn profiles predicted by hydrodynamics simulations that exclude ion mean free path effects are peaked far from the origin, in stark disagreement with the experimentally observed profiles, which are centrally peaked. In contrast, a hydrodynamics simulation that includes a model of ion diffusion is able to qualitatively match the measured profile shapes. Therefore, ion diffusion or diffusion-like processes are identified as a plausible explanation of the observed trends, though further refinement of the models is needed for a more complete and quantitative understanding of ion kinetic effects. (C) 2015 AIP Publishing LLC. C1 [Rosenberg, M. J.; Seguin, F. H.; Rinderknecht, H. G.; Zylstra, A. B.; Li, C. K.; Sio, H.; Johnson, M. Gatu; Frenje, J. A.; Petrasso, R. D.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Amendt, P. A.; Wilks, S. C.; Pino, J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Atzeni, S.] Univ Roma La Sapienza, Dipartimento SBAI, I-00161 Rome, Italy. [Atzeni, S.] CNISM, I-00161 Rome, Italy. [Hoffman, N. M.; Kagan, G.; Molvig, K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Rosenberg, M. J.; Glebov, V. Yu.; Stoeckl, C.; Seka, W.; Marshall, F. J.; Delettrez, J. A.; Sangster, T. C.; Betti, R.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Nikroo, A.] Gen Atom Co, San Diego, CA 92186 USA. RP Rosenberg, MJ (reprint author), Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA. EM mros@lle.rochester.edu OI Hoffman, Nelson/0000-0003-0178-767X FU U.S. DoE [DE-NA0001857, DE-FC52-08NA28752]; FSC [5-24431]; NLUF [DE-NA0002035]; LLE [415935-G]; LLNL [B597367]; Italian grants [PRIN 2012AY5LEL, Sapienza 2012 C26A12CZH2] FX The authors thank R. Frankel and E. Doeg for contributing to the processing of CR-39 data used in this work, as well as the OMEGA operations crew for their help in executing these experiments. This work was performed in partial fulfillment of the first author's PhD thesis and supported in part by U.S. DoE (Grant Nos. DE-NA0001857, DE-FC52-08NA28752), FSC (No. 5-24431), NLUF (No. DE-NA0002035), LLE (No. 415935-G), LLNL (No. B597367). S. A. is supported by Italian grants PRIN 2012AY5LEL and Sapienza 2012 C26A12CZH2. NR 44 TC 4 Z9 4 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2015 VL 22 IS 6 AR 062702 DI 10.1063/1.4921935 PG 12 WC Physics, Fluids & Plasmas SC Physics GA CM4XN UT WOS:000357689500041 ER PT J AU Xiong, H Xu, GS Wang, HQ Zakharov, LE Li, XJ AF Xiong, Hao Xu, Guosheng Wang, Huiqian Zakharov, Leonid E. Li, Xujing TI First measurements of Hiro currents in vertical displacement event in tokamaks SO PHYSICS OF PLASMAS LA English DT Article ID DISRUPTIONS AB Specially designed tiles were setup in the 2012 campaign of the Experimental Advanced Superconducting Tokamak (EAST), to directly measure the toroidal surface currents during the disruptions. Hiro currents with direction opposite to the plasma currents have been observed, confirming the sign prediction by the Wall Touching Vertical Mode (WTVM) theory and numerical simulations. During the initial phase of the disruption, when the plasma begins to touch the wall, the surface currents can be excited by WTVM along the plasma facing tile surface, varying with the mode magnitude. The currents are not observed in the cases when the plasma moves away from the tile surface. This discovery addresses the importance of the plasma motion into the wall in vertical disruptions. WTVM, acting as a current generator, forces the Hiro currents to flow through the gaps between tiles. This effect, being overlooked so far in disruption analysis, may damage the edges of the tiles and is important for the ITER device. (C) 2015 AIP Publishing LLC. C1 [Xiong, Hao; Xu, Guosheng; Wang, Huiqian] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. [Zakharov, Leonid E.] Princeton Univ, PPPL, Princeton, NJ 08543 USA. [Li, Xujing] Chinese Acad Sci, Acad Math & Syst Sci, Beijing 100190, Peoples R China. RP Xiong, H (reprint author), Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. OI Zakharov, Leonid/0000-0002-2355-9144 FU National Natural Science Foundation of China [11422546]; National Magnetic Confinement Fusion Science Program of China [2011GB107001, 2011GB105003]; U.S. DoE [DE-AC02-09-CH11466] FX This work was supported by National Natural Science Foundation of China under Contract No. 11422546, by National Magnetic Confinement Fusion Science Program of China under Contract Nos. 2011GB107001 and 2011GB105003, and by U.S. DoE Contract No. DE-AC02-09-CH11466. NR 9 TC 2 Z9 2 U1 2 U2 11 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2015 VL 22 IS 6 AR 060702 DI 10.1063/1.4922663 PG 5 WC Physics, Fluids & Plasmas SC Physics GA CM4XN UT WOS:000357689500002 ER PT J AU Zakharov, LE Li, XJ AF Zakharov, Leonid E. Li, Xujing TI Tokamak magneto-hydrodynamics and reference magnetic coordinates for simulations of plasma disruptions SO PHYSICS OF PLASMAS LA English DT Article ID DIII-D TOKAMAK; HIGH-TEMPERATURE PLASMAS; RESISTIVE WALL MODE; HALO CURRENTS; MAGNETOHYDRODYNAMICS SIMULATION; FEEDBACK STABILIZATION; STELLARATOR EQUILIBRIA; TOROIDAL ASYMMETRY; FIELDS; STABILITY AB This paper formulates the Tokamak Magneto-Hydrodynamics (TMHD), initially outlined by X. Li and L. E. Zakharov [Plasma Science and Technology 17(2), 97-104 (2015)] for proper simulations of macroscopic plasma dynamics. The simplest set of magneto-hydrodynamics equations, sufficient for disruption modeling and extendable to more refined physics, is explained in detail. First, the TMHD introduces to 3-D simulations the Reference Magnetic Coordinates (RMC), which are aligned with the magnetic field in the best possible way. The numerical implementation of RMC is adaptive grids. Being consistent with the high anisotropy of the tokamak plasma, RMC allow simulations at realistic, very high plasma electric conductivity. Second, the TMHD splits the equation of motion into an equilibrium equation and the plasma advancing equation. This resolves the 4 decade old problem of Courant limitations of the time step in existing, plasma inertia driven numerical codes. The splitting allows disruption simulations on a relatively slow time scale in comparison with the fast time of ideal MHD instabilities. A new, efficient numerical scheme is proposed for TMHD. (C) 2015 AIP Publishing LLC. C1 [Zakharov, Leonid E.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Li, Xujing] Chinese Acad Sci, Acad Math & Syst Sci, Inst Computat Math & Sci Engn Comp, Beijing 100190, Peoples R China. RP Zakharov, LE (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. OI Zakharov, Leonid/0000-0002-2355-9144 FU U.S. DoE [DE-AC02-09-CH11466]; Chinese National Magnetic Confinement Fusion Science Program [2011GB105003] FX This work was partially supported by U.S. DoE Contract No. DE-AC02-09-CH11466, and by the Chinese National Magnetic Confinement Fusion Science Program 2011GB105003. NR 81 TC 3 Z9 3 U1 3 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD JUN PY 2015 VL 22 IS 6 AR 062511 DI 10.1063/1.4922896 PG 21 WC Physics, Fluids & Plasmas SC Physics GA CM4XN UT WOS:000357689500038 ER PT J AU Ke, RA Loverdo, C Qi, HF Sun, R Lloyd-Smith, JO AF Ke, Ruian Loverdo, Claude Qi, Hangfei Sun, Ren Lloyd-Smith, James O. TI Rational Design and Adaptive Management of Combination Therapies for Hepatitis C Virus Infection SO PLOS COMPUTATIONAL BIOLOGY LA English DT Article ID REPLICATION COMPLEX INHIBITOR; DRUG-RESISTANCE; GENOTYPE 1; EVOLUTIONARY DYNAMICS; ANTIVIRAL AGENTS; VIRAL DYNAMICS; IN-VITRO; ADHERENCE; DACLATASVIR; HCV AB Recent discoveries of direct acting antivirals against Hepatitis C virus (HCV) have raised hopes of effective treatment via combination therapies. Yet rapid evolution and high diversity of HCV populations, combined with the reality of suboptimal treatment adherence, make drug resistance a clinical and public health concern. We develop a general model incorporating viral dynamics and pharmacokinetics/pharmacodynamics to assess how suboptimal adherence affects resistance development and clinical outcomes. We derive design principles and adaptive treatment strategies, identifying a high-risk period when missing doses is particularly risky for de novo resistance, and quantifying the number of additional doses needed to compensate when doses are missed. Using data from large-scale resistance assays, we demonstrate that the risk of resistance can be reduced substantially by applying these principles to a combination therapy of daclatasvir and asunaprevir. By providing a mechanistic framework to link patient characteristics to the risk of resistance, these findings show the potential of rational treatment design. C1 [Ke, Ruian; Loverdo, Claude; Lloyd-Smith, James O.] Univ Calif Los Angeles, Dept Ecol & Evolutionary Biol, Los Angeles, CA USA. [Loverdo, Claude] Univ Paris 06, CNRS, UMR 8237, LJP, Paris, France. [Qi, Hangfei; Sun, Ren] Univ Calif Los Angeles, Dept Mol & Med Pharmacol, Los Angeles, CA USA. [Sun, Ren] Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90024 USA. [Sun, Ren] Novartis Inst BioMed Res, Dept Infect Dis, Emeryville, CA USA. [Sun, Ren] Zhejiang Univ, Hangzhou 310003, Zhejiang, Peoples R China. [Lloyd-Smith, James O.] NIH, Fogarty Int Ctr, Bethesda, MD 20892 USA. RP Ke, RA (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys T6, MS K710, Los Alamos, NM USA. EM rke.work@gmail.com; jlloydsmith@ucla.edu RI Lloyd-Smith, James/K-4080-2012; OI Lloyd-Smith, James/0000-0001-7941-502X; Loverdo, Claude/0000-0002-0888-1717 FU National Science Foundation [EF-0928690]; De Logi Chair in Biological Sciences; RAPIDD program of the Science & Technology Directorate, Department of Homeland Security; Fogarty International Center, National Institutes of Health FX This work was supported by National Science Foundation (grant number EF-0928690 to JOLS). JOLS is grateful for support from the De Logi Chair in Biological Sciences, and from the RAPIDD program of the Science & Technology Directorate, Department of Homeland Security, and the Fogarty International Center, National Institutes of Health. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 59 TC 5 Z9 5 U1 0 U2 3 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1553-734X EI 1553-7358 J9 PLOS COMPUT BIOL JI PLoS Comput. Biol. PD JUN PY 2015 VL 11 IS 6 AR UNSP e1004040 DI 10.1371/journal.pcbi.1004040 PG 20 WC Biochemical Research Methods; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA CM0AH UT WOS:000357340100001 PM 26125950 ER PT J AU Zhang, JS Bass, JD Zhu, GH AF Zhang, Jin S. Bass, Jay D. Zhu, Gaohua TI Single-crystal Brillouin spectroscopy with CO2 laser heating and variable q SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID DIAMOND-ANVIL CELL; X-RAY-DIFFRACTION; HIGH-PRESSURE; SOUND-VELOCITY; LOWER MANTLE; SEISMIC ANISOTROPY; ELASTIC PROPERTIES; POTASSIUM HALIDES; HIGH-TEMPERATURE; ORTHO-PYROXENE AB We describe a Brillouin spectroscopy system integrated with CO2 laser-heating and Raman spectroscopic capabilities. Temperature is determined by measurements of the grey-body thermal radiation emitted by the hot sample, with the system response calibrated relative to a standard tungsten ribbon lamp. High-pressure laser-heating Brillouin scattering measurements of acoustic velocities on liquid water and ice compressed in a diamond-anvil cell were performed at temperatures up to 2500 +/- 150 K at high pressure. Single-crystal laser-heating Brillouin measurements were made on the (111) plane of San Carlos olivine at similar to 13 GPa, 1300 +/- 200 K. The pressure as measured by ruby fluorescence is shown to be within +/- 0.5 GPa of the pressure on the olivine sample during laser heating when KCl and KBr are used as pressure-transmitting media. In addition, the system is designed for continuously variable scattering angles from forward scattering (near 0 degrees scattering angle) up to near back scattering (similar to 141 degrees). This novel setup allows us to probe a wide range of wave vectors q for investigation of phonon dispersion on, for example, crystals with large unit cells (on the scale of hundreds of nm). (C) 2015 AIP Publishing LLC. C1 [Zhang, Jin S.; Bass, Jay D.] Univ Illinois, Dept Geol, Urbana, IL 61801 USA. [Zhu, Gaohua] Toyota Res Inst North Amer, Mat Res Dept, Ann Arbor, MI 48105 USA. RP Zhang, JS (reprint author), COMPRES Technol Ctr, Adv Photon Source, Argonne, IL 60439 USA. RI Zhang, Jin/L-6944-2015 FU National Science Foundation from NSF Instrumentation and Facilities Program [EAR07-38871]; Department of Energy under Basic Energy Sciences [DE-FG02-08ER]; Toyota Research Institute of North America; COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF [EAR 11-57758] FX This work was supported by the National Science Foundation under Grant No. EAR07-38871, a grant from the NSF Instrumentation and Facilities Program, and by the Department of Energy under Basic Energy Sciences Grant No. DE-FG02-08ER. This work was also partially supported by Toyota Research Institute of North America through a collaborative agreement, and COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF Cooperative Agreement No. EAR 11-57758. We thank Liqin Sang for her design of the membrane cap, Ian M. Steele for his help with EMPA analyses at the University of Chicago, Aiguo Han for help with sample characterization, and Andrew Campbell and Bruno Reynard for useful discussions. NR 67 TC 1 Z9 1 U1 4 U2 11 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD JUN PY 2015 VL 86 IS 6 AR 063905 DI 10.1063/1.4922634 PG 11 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CM4XT UT WOS:000357690300027 PM 26133848 ER PT J AU Frazer, L Chang, KB Poeppelmeier, KR Ketterson, JB AF Frazer, Laszlo Chang, Kelvin B. Poeppelmeier, Kenneth R. Ketterson, John B. TI Cupric oxide inclusions in cuprous oxide crystals grown by the floating zone method SO SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS LA English DT Article DE cuprous oxide; inclusions; floating zone; oxides ID SINGLE-CRYSTALS; OXIDATION MECHANISM; COPPER VACANCIES; SOLAR-CELLS; CU2O; CUO; NANOPARTICLES; LUMINESCENCE; EXCITONS; FURNACE AB Phase-pure cuprous oxide (Cu2O) crystals are difficult to grow since cupric oxide can form within the crystal as the crystal is cooled to ambient conditions. Vacancies are the solute which causes precipitation of macroscopic defects. Therefore, even when a mostly phase-pure single crystal is used as a feed rod, cupric oxide inclusions persist in the recrystallized solid. Control of the thermal profile during crystal growth, however, can improve phase-purity; a slow counter-rotation rate of the feed and seed rods results in fewer inclusions. Cupric oxide can be removed by annealing, which produces a factor of 540 +/- 70 increase in phase-purity. C1 [Frazer, Laszlo; Ketterson, John B.] Temple Univ, Dept Chem, Philadelphia, PA 19122 USA. [Chang, Kelvin B.; Poeppelmeier, Kenneth R.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Poeppelmeier, Kenneth R.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Ketterson, John B.] Northwestern Univ, Dept Elect Engn & Comp Sci, Evanston, IL 60208 USA. RP Frazer, L (reprint author), Temple Univ, Dept Chem, 1901 N 13th St, Philadelphia, PA 19122 USA. EM stam@laszlofrazer.com OI Frazer, Laszlo/0000-0003-3574-8003 FU Institute for Sustainability and Energy at Northwestern (ISEN); NSF [DMR-1307698]; Argonne National Laboratory under US. Department of Energy [DE-AC02-06CH11357]; MRSEC program of the NSF at the MRC of Northwestern [DMR-1121262]; Center for Inverse Design, an Energy Frontier Research Center - US. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC36-08GO28308]; US. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors thank Alexandre Revcolevschi for helpful discussions. We gratefully acknowledge NSF IGERT DGE-0801685. This work was funded by the Institute for Sustainability and Energy at Northwestern (ISEN). Crystal growth was supported by NSF DMR-1307698 and in part by Argonne National Laboratory under US. Department of Energy contract DE-AC02-06CH11357. This work made use of the x-ray, OMM, and Keck-II Facilities supported by the MRSEC program of the NSF (DMR-1121262) at the MRC of Northwestern. KC was supported as part of the Center for Inverse Design, an Energy Frontier Research Center funded by the US. Department of Energy, Office of Science, Office of Basic Energy Sciences, under award number DE-AC36-08GO28308. Use of the Center for Nanoscale Materials was supported by the US. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. In addition we thank Leo Ocola, Valentina Kutepova, and Xinqi Chen. NR 49 TC 4 Z9 4 U1 4 U2 22 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1468-6996 EI 1878-5514 J9 SCI TECHNOL ADV MAT JI Sci. Technol. Adv. Mater. PD JUN PY 2015 VL 16 IS 3 AR 034901 DI 10.1088/1468-6996/16/3/034901 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA CM1EQ UT WOS:000357424000018 PM 27877798 ER PT J AU Mazet, L Yang, SM Kalinin, SV Schamm-Chardon, S Dubourdieu, C AF Mazet, Lucie Yang, Sang Mo Kalinin, Sergei V. Schamm-Chardon, Sylvie Dubourdieu, Catherine TI A review of molecular beam epitaxy of ferroelectric BaTiO3 films on Si, Ge and GaAs substrates and their applications SO SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS LA English DT Review DE molecular beam epitaxy; ferroelectric; semiconductor ID FIELD-EFFECT TRANSISTOR; ADSORPTION-CONTROLLED GROWTH; SRTIO3 THIN-FILMS; NEGATIVE CAPACITANCE; OXIDE INTERFACES; LITHIUM-NIOBATE; ELECTRICAL CHARACTERISTICS; ELECTROOPTIC MODULATOR; STRUCTURAL-PROPERTIES; DEPOLARIZATION FIELD AB SrTiO3 epitaxial growth by molecular beam epitaxy (MBE) on silicon has opened up the route to the monolithic integration of various complex oxides on the complementary metal-oxide-semiconductor silicon platform. Among functional oxides, ferroelectric perovskite oxides offer promising perspectives to improve or add functionalities on-chip. We review the growth by MBE of the ferroelectric compound BaTiO3 on silicon (Si), germanium (Ge) and gallium arsenide (GaAs) and we discuss the film properties in terms of crystalline structure, microstructure and ferroelectricity. Finally, we review the last developments in two areas of interest for the applications of BaTiO3 films on silicon, namely integrated photonics, which benefits from the large Pockels effect of BaTiO3, and low power logic devices, which may benefit from the negative capacitance of the ferroelectric. C1 [Mazet, Lucie; Dubourdieu, Catherine] Univ Lyon, CNRS, Inst Nanotechnol Lyon, Ecole Cent Lyon, F-69134 Ecully, France. [Yang, Sang Mo; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Schamm-Chardon, Sylvie] Univ Toulouse, CNRS, CEMES, F-31055 Toulouse, France. [Yang, Sang Mo] Seoul Natl Univ, Ctr Correlated Elect Syst, IBS, Seoul 151742, South Korea. [Yang, Sang Mo] Seoul Natl Univ, Dept Phys & Astron, Seoul 151742, South Korea. RP Mazet, L (reprint author), Univ Lyon, CNRS, Inst Nanotechnol Lyon, Ecole Cent Lyon, F-69134 Ecully, France. EM catherine.dubourdieu@ec-lyon.fr RI Schamm-Chardon, Sylvie/A-2307-2015; Yang, Sang Mo/Q-2455-2015; Kalinin, Sergei/I-9096-2012 OI Schamm-Chardon, Sylvie/0000-0001-5534-8475; Yang, Sang Mo/0000-0003-1809-2938; Kalinin, Sergei/0000-0001-5354-6152 FU LABEX iMUST of Universite de Lyon [ANR-10-LABX-0064, ANR-11-IDEX-0007]; ANR [ANR-10-EQPX-38-01]; project INTENSE [ANR-14-CE26-0010]; DOE; [IBS-R009-D1] FX C Magen from Laboratorio de Microscopias Avanzadas (LMA), INA-Universidad de Zaragoza, Spain is acknowledged for his contribution to the STEM-HAADF image acquisition. This work was supported by the LABEX iMUST (ANR-10-LABX-0064) of Universite de Lyon, within the program 'Investissements d'Avenir' (ANR-11-IDEX-0007) operated by the French National Research Agency (ANR). The ANR is also acknowledged for financial support through the program 'Investissments d'Avenir' (ANR-10-EQPX-38-01) and support through the grant ANR-14-CE26-0010 (project INTENSE). PFM work was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. Support (SMY and SVK) was provided by a DOE Presidential Early Creer Award for Scientists and Engineers. The work (SMY) was also partially supported by IBS-R009-D1. NR 191 TC 7 Z9 7 U1 16 U2 98 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1468-6996 EI 1878-5514 J9 SCI TECHNOL ADV MAT JI Sci. Technol. Adv. Mater. PD JUN PY 2015 VL 16 IS 3 AR 036005 DI 10.1088/1468-6996/16/3/036005 PG 20 WC Materials Science, Multidisciplinary SC Materials Science GA CM1EQ UT WOS:000357424000036 PM 27877816 ER PT J AU Nel, AE Brinker, CJ Parak, WJ Zink, JI Chan, WCW Pinkerton, KE Xia, T Baer, DR Hersam, MC Weiss, PS AF Nel, Andre E. Brinker, C. Jeffrey Parak, Wolfgang J. Zink, Jeffrey I. Chan, Warren C. W. Pinkerton, Kent E. Xia, Tian Baer, Donald R. Hersam, Mark C. Weiss, Paul S. TI Where Are We Heading in Nanotechnology Environmental Health and Safety and Materials Characterization? SO ACS NANO LA English DT Editorial Material ID NANOTOXICOLOGY C1 [Brinker, C. Jeffrey] Editorial Advisory Board, New York, NY USA. [Zink, Jeffrey I.] Univ Calif Los Angeles, Chem, Los Angeles, CA USA. [Pinkerton, Kent E.] Univ Calif Davis, Pediat, Davis, CA 95616 USA. [Pinkerton, Kent E.] Univ Calif Davis, Ctr Hlth & Environm, Davis, CA 95616 USA. [Xia, Tian] Univ Calif Los Angeles, Med, Los Angeles, CA USA. [Baer, Donald R.] Pacific NW Natl Lab, Richland, WA 99352 USA. RI Baer, Donald/J-6191-2013; Weiss, Paul/A-2575-2011; xia, tian/C-3158-2013; Hersam, Mark/B-6739-2009 OI Baer, Donald/0000-0003-0875-5961; Weiss, Paul/0000-0001-5527-6248; xia, tian/0000-0003-0123-1305; NR 9 TC 27 Z9 27 U1 10 U2 147 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2015 VL 9 IS 6 BP 5627 EP 5630 DI 10.1021/acsnano.5b03496 PG 4 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CL5GT UT WOS:000356988500001 PM 26100220 ER PT J AU Sun, DZ Tian, Y Zhang, YG Xu, ZH Sfeir, MY Cutlet, M Gang, O AF Sun, Dazhi Tian, Ye Zhang, Yugang Xu, Zhihua Sfeir, Matthew Y. Cutlet, Mircea Gang, Oleg TI Light-Harvesting Nanoparticle Core-Shell Clusters with Controllable Optical Output SO ACS NANO LA English DT Article DE nanoparticle; DNA; cluster; quantum dots; fluorescence; self-assembly ID CDSE/ZNS QUANTUM DOTS; GOLD NANOPARTICLES; ENERGY-TRANSFER; DNA ORIGAMI; MOLECULAR FLUORESCENCE; PLASMONIC ENHANCEMENT; NANOCRYSTALS; PHOTOLUMINESCENCE; CRYSTALLIZATION; NANOSTRUCTURES AB We used DNA self-assembly methods to fabricate a series of core-shell gold nanoparticle-DNA-colloidal quantum dot (AuNP-DNA-Qdot) nanoclusters with satellite-like architecture to modulate optical (photoluminescence) response. By varying the intercomponent distance through the DNA linker length designs, we demonstrate precise tuning of the plasmon-exciton interaction and the optical behavior of the nanoclusters from regimes characterized by photoluminescence quenching to photoluminescence enhancement. The combination of detailed X-ray scattering probing with photoluminescence intensity and lifetime studies revealed the relation between the cluster structure and its optical output. Compared to conventional light-harvesting systems like conjugated polymers and multichromophoric dendrimers, the proposed nanoclusters bring enhanced flexibility in controlling the optical behavior toward a desired application, and they can be regarded as controllable optical switches via the optically pumped color. C1 [Sun, Dazhi; Tian, Ye; Zhang, Yugang; Xu, Zhihua; Sfeir, Matthew Y.; Cutlet, Mircea; Gang, Oleg] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Sun, Dazhi] South Univ Sci & Technol China, Dept Mat Sci & Engn, Shenzhen 518055, Guangdong, Peoples R China. [Xu, Zhihua] Univ Minnesota, Dept Chem Engn, Duluth, MN 55812 USA. RP Gang, O (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM cotlet@bnl.gov; ogang@bnl.gov RI Sun, Dazhi/F-5144-2013; OI Sun, Dazhi/0000-0001-7553-3141; Sfeir, Matthew/0000-0001-5619-5722 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0012704]; National Science Foundation of China [21306077] FX Research was 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-SC0012704. D.S. acknowledges the additional support from National Science Foundation of China (21306077). We thank Dr. A. Chitov for the help with the theoretical model associated with data in Figure 1b. NR 48 TC 20 Z9 20 U1 17 U2 131 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2015 VL 9 IS 6 BP 5657 EP 5665 DI 10.1021/nn507331z PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CL5GT UT WOS:000356988500005 PM 25933097 ER PT J AU Bartling, S Yin, CR Barke, I Oldenburg, K Hartmann, H von Oeynhausen, V Pohl, MM Houben, K Tyo, EC Seifert, S Lievens, P Meiwes-Broer, KH Vajda, S AF Bartling, Stephan Yin, Chunrong Barke, Ingo Oldenburg, Kevin Hartmann, Hannes von Oeynhausen, Viola Pohl, Marga-Martina Houben, Kelly Tyo, Eric C. Seifert, Soenke Lievens, Peter Meiwes-Broer, Karl-Heinz Vajda, Stefan TI Pronounced Size Dependence in Structure and Morphology of Gas-Phase Produced, Partially Oxidized Cobalt Nanoparticles under Catalytic Reaction Conditions SO ACS NANO LA English DT Article DE Co clusters and nanoparticles; oxidative dehydrogenation of cyclohexane; Kirkendall effect; cluster source; nanocatalysis; oxidation; surface deposition ID ATOMIC LAYER DEPOSITION; TRANSMISSION ELECTRON-MICROSCOPY; DIRECT PROPYLENE EPOXIDATION; FISCHER-TROPSCH SYNTHESIS; OXIDATIVE DEHYDROGENATION; CO OXIDATION; ROOM-TEMPERATURE; ISLAND GROWTH; ADIPIC ACID; CLUSTERS AB It is generally accepted that optimal particle sizes are key for efficient nanocatalysis. Much less attention is paid to the role of morphology and atomic arrangement during catalytic reactions. Here, we unravel the structural, stoichiometric, and morphological evolution of gas-phase produced and partially oxidized cobalt nanoparticles in a broad size range. Particles with diameters between 1.4 and 22 nm generated in cluster sources are size selected and deposited on amorphous alumina (Al2O3) and ultrananocrystalline diamond (UNCD) films. A combination of different techniques is employed to monitor particle properties at the stages of production, exposure to ambient conditions, and catalytic reaction, in this case, the oxidative dehydrogenation of cyclohexane at elevated temperatures. A pronounced size dependence is found, naturally classifying the particles into three size regimes. While small and intermediate clusters essentially retain their compact morphology, large particles transform into hollow spheres due to the nanoscale Kirkendall effect. Depending on the substrate, an isotropic (Al2O3) or anisotropic (UNCD) Kirkendall effect is observed. The latter results in dramatic lateral size changes. Our results shed light on the interplay between chemical reactions and the catalyst's structure and provide an approach to tailor the cobalt oxide phase composition required for specific catalytic schemes. C1 [Bartling, Stephan; Barke, Ingo; Oldenburg, Kevin; Hartmann, Hannes; von Oeynhausen, Viola; Meiwes-Broer, Karl-Heinz] Univ Rostock, Inst Phys, D-18051 Rostock, Germany. [Yin, Chunrong; Tyo, Eric C.; Vajda, Stefan] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Seifert, Soenke] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Vajda, Stefan] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Pohl, Marga-Martina] Univ Rostock LIKAT, Leibniz Inst Katalyse eV, D-18059 Rostock, Germany. [Houben, Kelly; Lievens, Peter] Katholieke Univ Leuven, Lab Solid State Phys & Magnetism, B-3001 Leuven, Belgium. [Vajda, Stefan] Yale Univ, Dept Chem & Environm Engn, New Haven, CT 06520 USA. [Vajda, Stefan] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. RP Bartling, S (reprint author), Univ Rostock, Inst Phys, Univ Pl 3, D-18051 Rostock, Germany. EM stephan.bartling@uni-rostock.de; ingo.barke@uni-rostock.de OI Meiwes-Broer, Karl-Heinz/0000-0002-8516-0470; Lievens, Peter/0000-0001-6570-0559 FU federal state Mecklenburg-Vorpommern within the project Nano4Hydrogen; Federal Ministry of Education and Research (BMBF) within the project Light2Hydrogen; Deutsche Forschungsgemeinschaft (DFG) [SFB652]; European Social Fund (ESF); Research Foundation-Flanders (FWO, Belgium); Flemish Concerted Action (BOF KU Leuven) [GOA/14/007]; U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC-02-06CH11357]; U.S. Department of Energy (DOE) Office of Science [DE-AC-02-06CH11357] FX S.B., H.H., K.O., I.B., V.v.O., and K.-H.M.-B. acknowledge funding by the federal state Mecklenburg-Vorpommern within the project Nano4Hydrogen, the Federal Ministry of Education and Research (BMBF) within the project Light2Hydrogen, and the Deutsche Forschungsgemeinschaft (DFG) through the SFB652 (deposition of 4-22 nm size cobalt nanoparticles, RHEED, AFM and TEM characterization, and analysis and interpretation of RHEED and TEM data). S.B. acknowledges funding by the European Social Fund (ESF). K.H. and P.L. acknowledge support by the Research Foundation-Flanders (FWO, Belgium) and the Flemish Concerted Action (BOF KU Leuven, Project No. GOA/14/007) (deposition of 1.4 and 2 nm size cobalt clusters, characterization of the size distribution, AFM). The work at Argonne National Laboratory (in situ X-ray characterization, analysis of GISAXS and GIXANES data, and their interpretation) was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC-02-06CH11357. The in situ GISAXS/GIXANES experiments were carried out at the 12-ID-C beamline of the Advanced Photon Source of Argonne National Laboratory. The use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE), Office of Science by Argonne National Laboratory was supported by the U.S. Department of Energy (DOE) Office of Science, under contract No. DE-AC-02-06CH11357. We thank Dr. Michael Pellin (ANL) for coating the Si chips and TEM grids with ALD alumina. NR 78 TC 3 Z9 3 U1 8 U2 60 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2015 VL 9 IS 6 BP 5984 EP 5998 DI 10.1021/acsnano.5b00791 PG 15 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CL5GT UT WOS:000356988500039 PM 26027910 ER PT J AU Hannah, DC Gezelter, D Schaller, RD Schatz, GC AF Hannah, Daniel C. Gezelter, Daniel Schaller, Richard D. Schatz, George C. TI Reverse Non-Equilibrium Molecular Dynamics Demonstrate That Surface Passivation Controls Thermal Transport at Semiconductor - Solvent Interfaces SO ACS NANO LA English DT Article DE nanocrystals; thermal transport; nonequilibrium molecular dynamics; phonons; heat conduction; simulations ID NANOCRYSTAL ARRAYS; CDSE NANOCRYSTALS; LIGAND-BINDING; CONDUCTIVITY; SIMULATIONS; GROWTH; HEAT; SIZE AB We examine the role played by surface structure and passivation in thermal transport at semiconductor/organic interfaces. Such interfaces dominate thermal transport in semiconductor nanomaterials owing to material dimensions much smaller than the bulk phonon mean free path. Utilizing reverse nonequilibrium molecular dynamics simulations, we calculate the interfacial thermal conductance (G) between a hexane solvent and chemically passivated wurtzite CdSe surfaces. In particular, we examine the dependence of G on the CdSe slab thickness, the particular exposed crystal facet, and the extent of surface passivation. Our results indicate a nonmonotonic dependence of G on ligand-grafting density, with interfaces generally exhibiting higher thermal conductance for increasing surface coverage up to similar to 0.08 ligands/angstrom(2) (75-100% of a monolayer, depending on the particular exposed facet) and decreasing for still higher coverages. By analyzing orientational ordering and solvent penetration into the ligand layer, we show that a balance of competing effects is responsible for this nonmonotonic dependence. Although the various unpassivated CdSe surfaces exhibit similar G values, the crystal structure of an exposed facet nevertheless plays an important role in determining the interfacial thermal conductance of passivated surfaces, as the density of binding sites on a surface determines the ligand-grafting densities that may ultimately be achieved. We demonstrate that surface passivation can increase G relative to a bare surface by roughly 1 order of magnitude and that, for a given extent of passivation, thermal conductance can vary by up to a factor of similar to 2 between different surfaces, suggesting that appropriately tailored nanostructures may direct heat flow in an anisotropic fashion for interface-limited thermal transport. C1 [Hannah, Daniel C.; Schaller, Richard D.; Schatz, George C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Gezelter, Daniel] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA. [Schaller, Richard D.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Schatz, GC (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM schatz@chem.northwestern.edu OI Gezelter, J. Daniel/0000-0002-2935-3163 FU NSF [DGE-0824162]; Office of Basic Energy Sciences [DE-SC0004752]; National Science Foundation [CHE-1362211]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We thank Dr. Shenyu Kuang and Dr. Kelsey Stocker for useful discussions regarding OpenMD and nonequilibrium molecular dynamics simulations. D.C.H. acknowledges support from NSF Graduate Fellowship DGE-0824162. G.C.S. was supported by Grant No. DE-SC0004752 of the Office of Basic Energy Sciences. J.D.G. was supported by the National Science Foundation under Grant No. CHE-1362211. Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. D.C.H. performed simulations, analyzed data, and wrote the manuscript with feedback from J.D.G., R.D.S., and G.C.S. All authors have given approval to the final version of the manuscript. NR 32 TC 2 Z9 2 U1 5 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2015 VL 9 IS 6 BP 6278 EP 6287 DI 10.1021/acsnano.5b01724 PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CL5GT UT WOS:000356988500068 PM 26020654 ER PT J AU Puretzky, AA Liang, LB Li, XF Xiao, K Wang, K Mahjouri-Samani, M Basile, L Idrobo, JC Sumpter, BG Meunier, V Geohegan, DB AF Puretzky, Alexander A. Liang, Liangbo Li, Xufan Xiao, Kai Wang, Kai Mahjouri-Samani, Masoud Basile, Leonardo Idrobo, Juan Carlos Sumpter, Bobby G. Meunier, Vincent Geohegan, David B. TI Low-Frequency Raman Fingerprints of Two-Dimensional Metal Dichalcogenide Layer Stacking Configurations SO ACS NANO LA English DT Article DE two-dimensional materials; transition metal dichalcogenides; low-frequency Raman spectroscopy; stacking configurations; first-principles calculations ID CARBON NANOTUBES; MULTILAYER GRAPHENE; HETEROSTRUCTURES; SPECTROSCOPY; MOS2; MONOLAYER; SEMICONDUCTORS; SCATTERING; MODES; WSE2 AB The tunable optoelectronic properties of stacked two-dimensional (2D) crystal monolayers are determined by their stacking orientation, order, and atomic registry. Atomic-resolution Z-contrast scanning transmission electron microscopy (AR-Z-STEM) and electron energy loss spectroscopy (EELS) can be used to determine the exact atomic registration between different layers, in few-layer 2D stacks; however, fast optical characterization techniques are essential for rapid development of the field. Here, using two- and three-layer MoSe2 and WSe2 crystals synthesized by chemical vapor deposition, we show that the generally unexplored low frequency (LF) Raman modes (<50 cm(-1)) that originate from interlayer vibrations can serve as fingerprints to characterize not only the number of layers, but also their stacking configurations. Ab initio calculations and group theory analysis corroborate the experimental assignments determined by AR-Z-STEM and show that the calculated LF mode fingerprints are related to the 2D crystal symmetries. C1 [Puretzky, Alexander A.; Li, Xufan; Xiao, Kai; Wang, Kai; Mahjouri-Samani, Masoud; Idrobo, Juan Carlos; Sumpter, Bobby G.; Geohegan, David B.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Liang, Liangbo; Meunier, Vincent] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Basile, Leonardo] Escuela Politec Nacl, Dept Fis, Quito 170525, Ecuador. RP Puretzky, AA (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM puretzkya@ornl.gov RI Liang, Liangbo/H-4486-2011; Wang, Kai/H-4361-2011; Sumpter, Bobby/C-9459-2013; Mahjouri-Samani, Masoud/Q-2239-2015; Li, Xufan/A-8292-2013; Puretzky, Alexander/B-5567-2016; Geohegan, David/D-3599-2013 OI Liang, Liangbo/0000-0003-1199-0049; Wang, Kai/0000-0002-6405-7837; Sumpter, Bobby/0000-0001-6341-0355; Mahjouri-Samani, Masoud/0000-0002-6080-7450; Li, Xufan/0000-0001-9814-0383; Idrobo, Juan Carlos/0000-0001-7483-9034; Puretzky, Alexander/0000-0002-9996-4429; Geohegan, David/0000-0003-0273-3139 FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; New York State under NYSTAR [C080117]; Office of Naval Research; National Secretariat of Higher Education, Science, Technology and Innovation of Ecuador (SENESCYT) FX Raman spectroscopy part 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. Synthesis science, including CVD and PLD, was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. The theoretical work at Rensselaer Polytechnic Institute (RPI) was supported by New York State under NYSTAR program C080117 and the Office of Naval Research.The computations were performed using the resources of the Center for Computational Innovation at RPI. L.B. acknowledges the financial support of the National Secretariat of Higher Education, Science, Technology and Innovation of Ecuador (SENESCYT). NR 37 TC 28 Z9 28 U1 14 U2 119 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2015 VL 9 IS 6 BP 6333 EP 6342 DI 10.1021/acsnano.5b01884 PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CL5GT UT WOS:000356988500074 PM 25965878 ER PT J AU Sarpkaya, I Ahmadi, ED Shepard, GD Mistry, KS Blackburn, JL Strauf, S AF Sarpkaya, Ibrahim Ahmadi, Ehsaneh D. Shepard, Gabriella D. Mistry, Kevin S. Blackburn, Jeffrey L. Strauf, Stefan TI Strong Acoustic Phonon Localization in Copolymer-Wrapped Carbon Nanotubes SO ACS NANO LA English DT Article DE carbon nanotubes; excitons; acoustic phonon localization; isotope effects; dephasing ID QUANTUM DOTS; PHOTOLUMINESCENCE; EXCITONS; SPECTROSCOPY; DISPERSIONS; EMISSION; STATES; SPIN AB Understanding and controlling exciton phonon interactions in carbon nanotubes has important implications for producing efficient nanophotonic devices. Here we show that laser vaporization-grown carbon nanotubes display ultranarrow luminescence line widths (120 mu eV) and well-resolved acoustic phonon sidebands at low temperatures when dispersed with a polyfluorene copolymer. Remarkably, we do not observe a correlation of the zero-phonon line width with C-13 atomic concentration, as would be expected for pure dephasing of excitons with acoustic phonons. We demonstrate that the ultranarrow and phonon sideband-resolved emission spectra can be fully described by a model assuming extrinsic acoustic phonon localization at the nanoscale, which holds down to 6-fold narrower spectral line width compared to previous work. Interestingly, both exciton and acoustic phonon wave functions are strongly spatially localized within 5 nm, possibly mediated by the copolymer backbone, opening future opportunities to engineer dephasing and optical bandwidth for applications in quantum photonics and cavity optomechanics. C1 [Sarpkaya, Ibrahim; Ahmadi, Ehsaneh D.; Shepard, Gabriella D.; Strauf, Stefan] Stevens Inst Technol, Dept Phys & Engn Phys, Hoboken, NJ 07030 USA. [Mistry, Kevin S.; Blackburn, Jeffrey L.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Strauf, S (reprint author), Stevens Inst Technol, Dept Phys & Engn Phys, Hoboken, NJ 07030 USA. EM strauf@stevens.edu RI Strauf, Stefan/H-1399-2016 FU National Science Foundation (NSF), CAREER [ECCS-1053537]; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-AC36-08GO28308]; NSF [DMR-0922522]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors like to thank Christophe Galland, Alexander Hoegele, Christophe Voisin, and Jean-Sebastien Lauret for fruitful discussions. S.S. acknowledges financial support by the National Science Foundation (NSF), CAREER award ECCS-1053537. J.B. and K.M. gratefully acknowledge funding from the Solar Photochemistry Program of the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, under Contract No. DE-AC36-08GO28308 to NREL. This research effort used microscope resources partially funded by NSF through Grant DMR-0922522. Sample fabrication was carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 61 TC 4 Z9 4 U1 3 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2015 VL 9 IS 6 BP 6383 EP 6393 DI 10.1021/acsnano.5b01997 PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CL5GT UT WOS:000356988500079 PM 26039893 ER PT J AU Yang, L Hong, H Fu, Q Huang, YF Zhang, JY Cui, XD Fan, ZY Liu, KH Xiang, B AF Yang, Lei Hong, Hao Fu, Qi Huang, Yuefei Zhang, Jingyu Cui, Xudong Fan, Zhiyong Liu, Kaihui Xiang, Bin TI Single-Crystal Atomic-Layered Molybdenum Disulfide Nanobelts with High Surface Activity SO ACS NANO LA English DT Article DE MoS2 nanobelts; CVD; edge sites; band gap excitons; Luttinger liquid; electrocatalytic hydrogen evolution ID HYDROGEN EVOLUTION REACTION; CHEMICAL-VAPOR-DEPOSITION; MONOLAYER MOS2; EDGE SITES; VALLEY POLARIZATION; NANOSHEETS; PHOTOLUMINESCENCE; TRANSISTORS; STABILITY; NANOTUBES AB Nanostructured molybdenum disulfide (MoS2) has emerged as a promising catalytic alternative to the widely used Pt in the hydrogen evolution reaction from water because it is inexpensive and earth-abundant. The central prerequisite in realizing its potential is to enhance the surface activities by increasing the concentration of metallic edge sites. However, MoS2 thermodynamics favors the presence of a two-dimensional basal plane, and therefore, the one-dimensional edge sites surrounding the basal plane are very limited. Herein, we report the first synthesis of single-crystal MoS2 nanobelts with the top surface fully covered by edge sites. The nanobelt structure comprises parallel stacked atomic layers with the basal plane vertical to the substrate, and these layer edges form the top surface of the nanobelt. The surface is highly active: it optically quenches all of the indirect band gap excitons and chemically leads to a high electrocatalytic hydrogen evolution efficiency (a low onset overpotential of 170 mV for an electrocatalytic current density of 20 mA/cm(2) and a Tafel slope of 70 mV/decade). C1 [Yang, Lei; Fu, Qi; Xiang, Bin] Univ Sci & Technol China, Dept Mat Sci & Engn, CAS Key Lab Mat Energy Convers, Hefei 230026, Anhui, Peoples R China. [Xiang, Bin] Univ Sci & Technol China, Synerget Innovat Ctr Quantum Informat & Quantum P, Hefei 230026, Anhui, Peoples R China. [Hong, Hao; Huang, Yuefei; Liu, Kaihui] Peking Univ, Sch Phys, State Key Lab Mesoscop Phys, Beijing 100871, Peoples R China. [Liu, Kaihui] Peking Univ, Collaborat Innovat Ctr Quantum Matter, Beijing 100871, Peoples R China. [Liu, Kaihui] Peking Univ, Ctr Nanochem, Beijing 100871, Peoples R China. [Zhang, Jingyu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Cui, Xudong] CAEP, Res Ctr Laser Fus, Sci & Technol Plasma Phys Lab, Mianyang 621900, Sichuan, Peoples R China. [Fan, Zhiyong] Hong Kong Univ Sci & Technol, Dept Elect & Comp Engn, Hong Kong, Hong Kong, Peoples R China. RP Liu, KH (reprint author), Peking Univ, Sch Phys, State Key Lab Mesoscop Phys, Beijing 100871, Peoples R China. EM khliu@pku.edu.cn; binxiang@ustc.edu.cn RI Liu, Kaihui/A-9938-2014; Xiang, Bin/C-9192-2012; Fan, Zhiyong/C-4970-2012; OI Fan, Zhiyong/0000-0002-5397-0129 FU National Natural Science Foundation of China [11474006, 91433102, 21373196, 11434009]; National Program for Thousand Young Talents of China; Fundamental Research Funds for the Central Universities [WK2060140014, WK2340000050] FX This work was supported by the National Natural Science Foundation of China (11474006, 91433102, 21373196, 11434009), the National Program for Thousand Young Talents of China and the Fundamental Research Funds for the Central Universities (WK2060140014, WK2340000050). NR 41 TC 7 Z9 7 U1 10 U2 121 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2015 VL 9 IS 6 BP 6478 EP 6483 DI 10.1021/acsnano.5b02188 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CL5GT UT WOS:000356988500090 PM 26030397 ER PT J AU Balke, N Maksymovych, P Jesse, S Herklotz, A Tselev, A Eom, CB Kravchenko, II Yu, P Kalinin, SV AF Balke, Nina Maksymovych, Petro Jesse, Stephen Herklotz, Andreas Tselev, Alexander Eom, Chang-Beom Kravchenko, Ivan I. Yu, Pu Kalinin, Sergei V. TI Differentiating Ferroelectric and Nonferroelectric Electromechanical Effects with Scanning Probe Microscopy SO ACS NANO LA English DT Article DE scanning probe microscopy; ferroelectricity; electrostatics; relaxors ID PIEZORESPONSE FORCE MICROSCOPY; DOMAIN-WALLS; THIN-FILMS; PHASE-TRANSITIONS; NANOSCALE; MULTIFERROICS; POLARIZATION; OXIDE; HETEROSTRUCTURES; CONDUCTION AB Ferroelectricity in functional materials remains one of the most fascinating areas of modern science in the past several decades. In the last several years, the rapid development of piezoresponse force microscopy (PFM) and spectroscopy revealed the presence of electromechanical hysteresis loops and bias-induced remnant polar states in a broad variety of materials including many inorganic oxides, polymers, and biosystems. In many cases, this behavior was interpreted as the ample evidence for ferroelectric nature of the system. Here, we systematically analyze PFM responses on ferroelectric and nonferroelectric materials and demonstrate that mechanisms unrelated to ferroelectricity can induce ferroelectric-like characteristics through charge injection and electrostatic forces on the tip. We will focus on similarities and differences in various PFM measurement characteristics to provide an experimental guideline to differentiate between ferroelectric material properties and charge injection. In the end, we apply the developed measurement protocols to an unknown ferroelectric material. C1 [Balke, Nina; Maksymovych, Petro; Jesse, Stephen; Tselev, Alexander; Kravchenko, Ivan I.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Balke, Nina; Maksymovych, Petro; Jesse, Stephen; Tselev, Alexander; Kalinin, Sergei V.] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. [Herklotz, Andreas] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Eom, Chang-Beom] Univ Wisconsin, Mat Sci & Engn, Madison, WI 53706 USA. [Yu, Pu] Tsinghua Univ, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China. [Yu, Pu] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. [Yu, Pu] Collaborat Innovat Ctr Quantum Matter, Beijing 100084, Peoples R China. [Yu, Pu] RIKEN, CEMS, Wako, Saitama 3510198, Japan. RP Balke, N (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM balken@ornl.gov RI Eom, Chang-Beom/I-5567-2014; Kravchenko, Ivan/K-3022-2015; Tselev, Alexander/L-8579-2015; Yu, Pu/F-1594-2014; Balke, Nina/Q-2505-2015; Kalinin, Sergei/I-9096-2012; Maksymovych, Petro/C-3922-2016; Jesse, Stephen/D-3975-2016 OI Kravchenko, Ivan/0000-0003-4999-5822; Tselev, Alexander/0000-0002-0098-6696; Balke, Nina/0000-0001-5865-5892; Kalinin, Sergei/0000-0001-5354-6152; Maksymovych, Petro/0000-0003-0822-8459; Jesse, Stephen/0000-0002-1168-8483 FU U.S. Department of Energy, Basic Energy Sciences, through the Office of Science Early Career Research Program; U.S. Department of Energy, Basic Energy Sciences, through Materials Sciences and Engineering Division; DOE Office of Science User Facility; National Basic Research Program of China [2015CB921700]; National Natural Science Foundation of China [11274194]; National Science Foundation DMREF [DMR-1234096] FX Support was provided by the U.S. Department of Energy, Basic Energy Sciences, through the Office of Science Early Career Research Program (N.B.) and the Materials Sciences and Engineering Division (S.V.K, P.M.). The experiments were performed at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility which also provided additional support (S.J., AT., I.I.K.). P.Y. was financially supported by the National Basic Research Program of China (Grant 2015CB921700) and National Natural Science Foundation of China (Grant 11274194). The work at University of Wisconsin Madison was supported by the National Science Foundation DMREF (Grant No. DMR-1234096). The authors gratefully acknowledge multiple discussions with A. Gruverman (UNL), R. Proksch (Asylum Research), J. Li (UWash), D. Damjanovic (EPFL), and A. Morozovska (UAS). NB., P.M., and S.J. designed the experimental concept. N.B. conducted the measurements. S.J. designed the measurement program. A.H. conducted the polarization measurement. C.B.E, P.Y., and I.I.K. provided the samples. All authors discussed and interpreted the experimental results. NR 61 TC 24 Z9 24 U1 19 U2 105 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2015 VL 9 IS 6 BP 6484 EP 6492 DI 10.1021/acsnano.5b02227 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CL5GT UT WOS:000356988500091 PM 26035634 ER PT J AU Miwa, JA Dendzik, M Gronborg, SS Bianchi, M Lauritsen, JV Hofmann, P Ulstrup, S AF Miwa, Jill A. Dendzik, Maciej Gronborg, Signe S. Bianchi, Marco Lauritsen, Jeppe V. Hofmann, Philip Ulstrup, Soren TI Van der Waals Epitaxy of Two-Dimensional MoS2-Graphene Heterostructures in Ultrahigh Vacuum SO ACS NANO LA English DT Article DE 2D material heterostructures; graphene; transition metal dichalcogenides; MoS2; van der Waals epitaxy; angle-resolved photoemission spectroscopy; scanning tunneling microscopy ID VALLEY POLARIZATION; MOS2/WS2 HETEROSTRUCTURES; MONOLAYER MOS2; MODEL CATALYST; LAYER MOS2; GRAPHENE; DYNAMICS; FILMS; NANOCLUSTERS; ELECTRONICS AB In this work, we demonstrate direct van der Waals epitaxy of MoS2 graphene heterostructures on a semiconducting silicon carbide (SIC) substrate under ultrahigh vacuum conditions. Angle-resolved photoemission spectroscopy (ARPES) measurements show that the electronic structure of free-standing single-layer (SL) MoS2 is retained in these heterostructures due to the weak van der Waals interaction between adjacent materials. The MoS2 synthesis is based on a reactive physical vapor deposition technique involving Mo evaporation and sulfurization in a H2S atmosphere on a template consisting of epitaxially grown graphene on SiC. Using scanning tunneling microscopy, we study the seeding of Mo on this substrate and the evolution from nanoscale MoS2 islands to SL and bilayer (BL) MoS2 sheets during H2S exposure. Our ARPES measurements of SL and BL MoS2 on graphene reveal the coexistence of the Dirac states of graphene and the expected valence band of MoS2 with the band maximum shifted to the corner of the Brillouin zone at (K) over bar in the SL limit. We confirm the 2D character of these electronic states via a lack of dispersion with photon energy. The growth of epitaxial MoS2 graphene heterostructures on SiC opens new opportunities for further in situ studies of the fundamental properties of these complex materials, as well as perspectives for implementing them in various device schemes to exploit their many promising electronic and optical properties. C1 [Miwa, Jill A.; Dendzik, Maciej; Gronborg, Signe S.; Bianchi, Marco; Lauritsen, Jeppe V.; Hofmann, Philip; Ulstrup, Soren] Aarhus Univ, Interdisciplinary Nanosci Ctr, Dept Phys & Astron, DK-8000 Aarhus C, Denmark. RP Ulstrup, S (reprint author), EO Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM sulstrup@lbl.gov RI Dendzik, Maciej/L-6611-2016; Hofmann, Philip/B-5938-2008; Bianchi, Marco/O-4544-2015; Ulstrup, Soren/B-9190-2017; OI Dendzik, Maciej/0000-0002-4179-0040; Hofmann, Philip/0000-0002-7367-5821; Bianchi, Marco/0000-0002-0122-9443; Ulstrup, Soren/0000-0001-5922-4488; Lauritsen, Jeppe/0000-0003-4953-652X FU VILLUM foundation; Lundbeck foundation; Danish Council for Independent Research; Danish Strategic Research Council (CAT-C); Haldor Topsoe A/S; Danish Council for Independent Research, Natural Sciences, under the Sapere Aude program [DFF-4002-00029, DFF-4090-00125] FX We gratefully acknowledge funding from the VILLUM foundation, the Lundbeck foundation, the Danish Council for Independent Research, the Danish Strategic Research Council (CAT-C), and Haldor Topsoe A/S. Ph.H. and S.U. acknowledge financial support from the Danish Council for Independent Research, Natural Sciences, under the Sapere Aude program (Grant Nos. DFF-4002-00029 and DFF-4090-00125). NR 53 TC 21 Z9 21 U1 30 U2 259 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD JUN PY 2015 VL 9 IS 6 BP 6502 EP 6510 DI 10.1021/acsnano.5b02345 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CL5GT UT WOS:000356988500093 PM 26039108 ER PT J AU Tsao, JY Han, J Haitz, RH Pattison, PM AF Tsao, Jeffrey Y. Han, Jung Haitz, Roland H. Pattison, P. Morgan TI The Blue LED Nobel Prize: Historical context, current scientific understanding, human benefit SO ANNALEN DER PHYSIK LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; LIGHT-EMITTING-DIODES; GALLIUM NITRIDE; GAN GROWTH; THIN-FILMS; SEMICONDUCTORS; EVOLUTION; HYDROGEN; STATE; DISLOCATIONS C1 [Tsao, Jeffrey Y.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Han, Jung] Yale Univ, New Haven, CT USA. [Haitz, Roland H.] QuarkStar LLC, Omaha, NE USA. [Pattison, P. Morgan] US DOE, SSL Program, Washington, DC 20585 USA. RP Tsao, JY (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jytsao@sandia.gov; jung.han@yale.edu; roland.haitz@quarkstar.com; morgan@sslsinc.com FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Building Technologies Office, Solid-State Lighting Program; Sandia's Solid-State-Lighting Science Energy Frontier Research Center - U.S. Department of Energy, Office of Basic Energy Sciences; United States Department of Energy's National Nuclear Security Administration [DE-AC0494AL85000] FX We are grateful for helpful comments from Mike Coltrin, Tina Nenoff, Tolu Odumosu, and Harry Weaver. This work was partially supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Building Technologies Office, Solid-State Lighting Program; and partially supported by Sandia's Solid-State-Lighting Science Energy Frontier Research Center, funded by the U.S. Department of Energy, Office of Basic Energy Sciences. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the United States Department of Energy's National Nuclear Security Administration under Contract No. DE-AC0494AL85000. NR 42 TC 7 Z9 7 U1 2 U2 19 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0003-3804 EI 1521-3889 J9 ANN PHYS-BERLIN JI Ann. Phys.-Berlin PD JUN PY 2015 VL 527 IS 5-6 BP A53 EP A61 DI 10.1002/andp.201570058 PG 9 WC Physics, Multidisciplinary SC Physics GA CL0ZX UT WOS:000356672700003 ER PT J AU Gummalla, M Ball, SC Condit, DA Rasouli, S Yu, K Ferreira, PJ Myers, DJ Yang, ZW AF Gummalla, Mallika Ball, Sarah C. Condit, David A. Rasouli, Somaye Yu, Kang Ferreira, Paulo J. Myers, Deborah J. Yang, Zhiwei TI Effect of Particle Size and Operating Conditions on Pt3Co PEMFC Cathode Catalyst Durability SO CATALYSTS LA English DT Article DE Pt3Co catalyst; PEM fuel cells; in-cell performance; catalyst durability ID OXYGEN REDUCTION REACTION; PLATINUM MONOLAYER ELECTROCATALYSTS; MEMBRANE FUEL-CELLS; ELECTRONIC-PROPERTIES; ALLOY CATALYSTS; PT-SKIN; IN-SITU; NANOPARTICLES; SURFACES; ACID AB The initial performance and decay trends of polymer electrolyte membrane fuel cells (PEMFC) cathodes with Pt3Co catalysts of three mean particle sizes (4.9 nm, 8.1 nm, and 14.8 nm) with identical Pt loadings are compared. Even though the cathode based on 4.9 nm catalyst exhibited the highest initial electrochemical surface area (ECA) and mass activity, the cathode based on 8.1 nm catalyst showed better initial performance at high currents. Owing to the low mass activity of the large particles, the initial performance of the 14.8 nm Pt3Co-based electrode was the lowest. The performance decay rate of the electrodes with the smallest Pt3Co particle size was the highest and that of the largest Pt3Co particle size was lowest. Interestingly, with increasing number of decay cycles (0.6 to 1.0 V, 50 mV/s), the relative improvement in performance of the cathode based on 8.1 nm Pt3Co over the 4.9 nm Pt3Co increased, owing to better stability of the 8.1 nm catalyst. The electron microprobe analysis (EMPA) of the decayed membrane-electrode assembly (MEA) showed that the amount of Co in the membrane was lower for the larger particles, and the platinum loss into the membrane also decreased with increasing particle size. This suggests that the higher initial performance at high currents with 8.1 nm Pt3Co could be due to lower contamination of the ionomer in the electrode. Furthermore, lower loss of Co from the catalyst with increased particle size could be one of the factors contributing to the stability of ECA and mass activity of electrodes with larger cathode catalyst particles. To delineate the impact of particle size and alloy effects, these results are compared with prior work from our research group on size effects of pure platinum catalysts. The impact of PEMFC operating conditions, including upper potential, relative humidity, and temperature on the alloy catalyst decay trends, along with the EMPA analysis of the decayed MEAs, are reported. C1 [Gummalla, Mallika; Condit, David A.; Yang, Zhiwei] United Technol Res Ctr, E Hartford, CT 06108 USA. [Ball, Sarah C.] Johnson Matthey Technol Ctr, Reading RG4 9NH, Berks, England. [Rasouli, Somaye; Yu, Kang; Ferreira, Paulo J.] Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA. [Myers, Deborah J.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. RP Yang, ZW (reprint author), United Technol Res Ctr, E Hartford, CT 06108 USA. EM GummalM@utrc.utc.com; ballsc@matthey.com; ss.rasouli@gmail.com; kangyu@utexas.edu; ferreira@mail.utexas.edu; dmyers@anl.gov; yangz@utrc.utc.com FU DOE [DE-AC02-06CH11357] FX This work was performed under the DOE contract DE-AC02-06CH11357. NR 50 TC 5 Z9 5 U1 9 U2 39 PU MDPI AG PI BASEL PA ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND SN 2073-4344 J9 CATALYSTS JI Catalysts PD JUN PY 2015 VL 5 IS 2 BP 926 EP 948 DI 10.3390/catal5020926 PG 23 WC Chemistry, Physical SC Chemistry GA CL9AV UT WOS:000357267200024 ER PT J AU Zhuang, WQ Fitts, JP Ajo-Franklin, CM Maes, S Alvarez-Cohen, L Hennebel, T AF Zhuang, Wei-Qin Fitts, Jeffrey P. Ajo-Franklin, Caroline M. Maes, Synthia Alvarez-Cohen, Lisa Hennebel, Tom TI Recovery of critical metals using biometallurgy SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID CANCEROSTATIC PLATINUM COMPOUNDS; WASTE-WATER TREATMENT; RARE-EARTH; SHEWANELLA-ONEIDENSIS; BACTERIAL SURFACES; GEOBACTER-SULFURREDUCENS; HOSPITAL EFFLUENTS; OXALIC-ACID; PALLADIUM; ADSORPTION AB The increased development of green low-carbon energy technologies that require platinum group metals (PGMs) and rare earth elements (REEs), together with the geopolitical challenges to sourcing these metals, has spawned major governmental and industrial efforts to rectify current supply insecurities. As a result of the increasing critical importance of PGMs and REEs, environmentally sustainable approaches to recover these metals from primary ores and secondary streams are needed. In this review, we define the sources and waste streams from which PGMs and REEs can potentially be sustainably recovered using microorganisms, and discuss the metal-microbe interactions most likely to form the basis of different environmentally friendly recovery processes. Finally, we highlight the research needed to address challenges to applying the necessary microbiology for metal recovery given the physical and chemical complexities of specific streams. C1 [Zhuang, Wei-Qin; Alvarez-Cohen, Lisa; Hennebel, Tom] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Zhuang, Wei-Qin] Univ Auckland, Dept Civil & Environm Engn, Auckland 1142, New Zealand. [Fitts, Jeffrey P.] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. [Ajo-Franklin, Caroline M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Ajo-Franklin, Caroline M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Maes, Synthia] Univ Ghent, Lab Microbial Ecol & Technol LabMET, B-9000 Ghent, Belgium. RP Hennebel, T (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM Tom.Hennebel@eu.umicore.com RI ZHUANG, WEI-QIN/A-5235-2014; Foundry, Molecular/G-9968-2014 OI ZHUANG, WEI-QIN/0000-0001-9600-5225; FU NIEHS [P42ES4705]; Fund of Scientific Research Flanders (FWO-Vlaanderen); NSF Environmental Engineering [CBET-1438278]; Office of Energy Efficiency and Renewable Energy, Geothermal Technologies Program, Low-Temperature and Coproduced Resources Suboffice, of the U.S. Department of Energy [DE-AC02-05CH11231] FX WZQ acknowledges support of NIEHS (P42ES4705). TH (postdoctoral fellowship) is financially supported by the Fund of Scientific Research Flanders (FWO-Vlaanderen). JPF acknowledges support of NSF Environmental Engineering through grant CBET-1438278. CAF acknowledges support from the Assistant Secretary for Office of Energy Efficiency and Renewable Energy, Geothermal Technologies Program, Low-Temperature and Coproduced Resources Suboffice, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The authors thank Tim Lacoere for the graphical support. NR 74 TC 13 Z9 13 U1 22 U2 92 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 EI 1879-0429 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD JUN PY 2015 VL 33 BP 327 EP 335 DI 10.1016/j.copbio.2015.03.019 PG 9 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA CL7GE UT WOS:000357139700039 PM 25912797 ER PT J AU Hamilton, SK Hussain, MZ Bhardwaj, AK Basso, B Robertson, GP AF Hamilton, S. K. Hussain, M. Z. Bhardwaj, A. K. Basso, B. Robertson, G. P. TI Comparative water use by maize, perennial crops, restored prairie, and poplar trees in the US Midwest SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE evapotranspiration; grasslands; crops; trees; biofuels; water balance; ecohydrology ID BIOENERGY CROPS; USE EFFICIENCY; CLIMATE-CHANGE; POTENTIAL EVAPOTRANSPIRATION; CENTRAL ILLINOIS; SWITCHGRASS; MISCANTHUS; ENERGY; HYDROLOGY; FOOD AB Water use by plant communities across years of varying water availability indicates how terrestrial water balances will respond to climate change and variability as well as to land cover change. Perennial biofuel crops, likely grown mainly on marginal lands of limited water availability, provide an example of a potentially extensive future land cover conversion. Wemeasured growing-season evapotranspiration (ET) based on daily changes in soil profile water contents in five perennial systems-switchgrass, miscanthus, native grasses, restored prairie, and hybrid poplar-and in annual maize (corn) in a temperate humid climate (Michigan, USA). Three study years (2010, 2011 and 2013) had normal growing-season rainfall (480-610 mm) whereas 2012 was a drought year (210 mm). Over all four years, mean (+/- SEM) growing-season ET for perennial systems did not greatly differ from corn (496 +/- 21 mm), averaging 559 (+/- 14), 458 (+/- 31), 573 (+/- 37), 519 (+/- 30), and 492 (+/- 58) mmfor switchgrass, miscanthus, native grasses, prairie, and poplar, respectively. Differences in biomass production largely determined variation in water use efficiency (WUE). Miscanthus had the highest WUEin both normal and drought years (52-67 and 43 kg dry biomass ha(-1) mm(-1), respectively), followed by maize (40-59 and 29 kg ha(-1) mm(-1)); the native grasses and prairie were lower and poplar was intermediate. That measured water use by perennial systems was similar to maize across normal and drought years contrasts with earlier modeling studies and suggests that rain-fed perennial biomass crops in this climate have little impact on landscape water balances, whether replacing rain-fed maize on arable lands or successional vegetation on marginal lands. Results also suggest that crop ET rates, and thus groundwater recharge, streamflow, and lake levels, may be less sensitive to climate change than has been assumed. C1 [Hamilton, S. K.; Hussain, M. Z.; Bhardwaj, A. K.; Basso, B.; Robertson, G. P.] Michigan State Univ, WK Kellogg Biol Stn, Hickory Corners, MI 49060 USA. [Hamilton, S. K.; Hussain, M. Z.; Bhardwaj, A. K.; Robertson, G. P.] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Hamilton, S. K.] Michigan State Univ, Dept Integrat Biol, E Lansing, MI 48824 USA. [Basso, B.] Michigan State Univ, Dept Geol Sci, E Lansing, MI 48824 USA. [Robertson, G. P.] Michigan State Univ, Dept Plant Soil & Microbial Sci, E Lansing, MI 48824 USA. RP Hamilton, SK (reprint author), Michigan State Univ, WK Kellogg Biol Stn, Hickory Corners, MI 49060 USA. EM hamilton@kbs.msu.edu RI Hamilton, Stephen/N-2979-2014; OI Hamilton, Stephen/0000-0002-4702-9017; Robertson, G/0000-0001-9771-9895 FU US Department of Energy through the Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC02-07ER64494]; US Department of Energy through the Great Lakes Bioenergy Research (DOE OBP Office of Energy Efficiency and Renewable Energy) [DE-AC05-76RL01830]; US National Science Foundation (LTER program) [DEB 10277253]; Michigan Agricultural Experiment Station FX We thank M Abraha, P Jasrotia, S Bohm, J Bronson, K A Kahmark, C McMinn, J Simmons, S VanderWulp, and many others for field, laboratory, and data assistance. Financial support for this work was provided by the US Department of Energy through the 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 US National Science Foundation (LTER program, DEB 10277253), and the Michigan Agricultural Experiment Station. NR 44 TC 3 Z9 3 U1 13 U2 44 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD JUN PY 2015 VL 10 IS 6 AR 064015 DI 10.1088/1748-9326/10/6/064015 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CL3FK UT WOS:000356835600017 ER PT J AU Negron-Juarez, RI Koven, CD Riley, WJ Knox, RG Chambers, JQ AF Negron-Juarez, Robinson I. Koven, Charles D. Riley, William J. Knox, Ryan G. Chambers, Jeffrey Q. TI Observed allocations of productivity and biomass, and turnover times in tropical forests are not accurately represented in CMIP5 Earth system models SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE tropical biomass; tropical productivity; biomass turnover time; earth system models ID NET PRIMARY PRODUCTIVITY; CARBON-CYCLE; CONTRASTING SOILS; AMAZONIAN FORESTS; MORTALITY-RATES; WORLDS FORESTS; CLIMATE; VEGETATION; COVARIATION; DISTURBANCE AB A significant fraction of anthropogenic CO2 emissions is assimilated by tropical forests and stored as biomass, slowing the accumulation of CO2 in the atmosphere. Because different plant tissues have different functional roles and turnover times, predictions of carbon balance of tropical forests depend on how earth system models (ESMs) represent the dynamic allocation of productivity to different tree compartments. This study shows that observed allocation of productivity, biomass, and turnover times of main tree compartments (leaves, wood, and roots) are not accurately represented in Coupled Model Intercomparison Project Phase 5 ESMs. In particular, observations indicate that biomass saturates with increasing productivity. In contrast, most models predict continuous increases in biomass with increases in productivity. This bias may lead to an over-prediction of carbon uptake in response toCO2 or climate-driven changes in productivity. Compartment-specific productivity and biomass are useful benchmarks to assess terrestrial ecosystem model performance. Improvements in the predicted allocation patterns and turnover times by ESMs will reduce uncertainties in climate predictions. C1 [Negron-Juarez, Robinson I.; Koven, Charles D.; Riley, William J.; Knox, Ryan G.; Chambers, Jeffrey Q.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Negron-Juarez, RI (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd,MS74R316C, Berkeley, CA 94720 USA. EM robinson.inj@lbl.gov; cdkoven@lbl.gov; wjriley@lbl.gov; rgknox@lbl.gov; jchambers@lbl.gov RI Chambers, Jeffrey/J-9021-2014; Riley, William/D-3345-2015; Knox, Ryan/N-7897-2013; Koven, Charles/N-8888-2014; Negron-Juarez, Robinson/I-6289-2016 OI Chambers, Jeffrey/0000-0003-3983-7847; Riley, William/0000-0002-4615-2304; Knox, Ryan/0000-0003-1140-3350; Koven, Charles/0000-0002-3367-0065; FU Office of Science, Office of Biological and Environmental Research of the US Department of Energy as part of the Regional and Global Climate Modeling (RGCM) program [DE-AC02-05CH11231]; Office of Science, Office of Biological and Environmental Research of the US Department of Energy as part of the Next-Generation Ecosystems Experiments (NGEE Tropics) Program [DE-AC02-05CH11231]; Laboratory Directed Research and Development (LDRD) from Berkeley Lab, provided by the, Office of Science, of the US Department of Energy [DE-AC02-05CH11231] FX This research was supported by the Director, Office of Science, Office of Biological and Environmental Research of the US Department of Energy under Contract No. DE-AC02-05CH11231 as part of the Regional and Global Climate Modeling (RGCM) and Next-Generation Ecosystems Experiments (NGEE Tropics) Programs, as well as Laboratory Directed Research and Development (LDRD) funding from Berkeley Lab, provided by the Director, Office of Science, of the US Department of Energy under Contract No. DE-AC02-05CH11231. We acknowledge the World Climate Research Programme's Working Group on Coupled Modelling, which is responsible for CMIP, and we thank the climate modeling groups (listed in table S1 of this paper) for producing and making available (at http://cmip-pcmdi.llnl.gov/) their model output. For CMIP the US Department of Energy's Program for Climate Model Diagnosis and Intercomparison provides coordinating support and led development of software infrastructure in partnership with the Global Organization for Earth System Science Portals. We acknowledge helpful discussions with P Cox and V Arora on TRIFFID vegetation dynamics. NR 66 TC 5 Z9 5 U1 1 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD JUN PY 2015 VL 10 IS 6 AR 064017 DI 10.1088/1748-9326/10/6/064017 PG 9 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CL3FK UT WOS:000356835600019 ER PT J AU Phillips, TJ Bonfils, CJW AF Phillips, Thomas J. Bonfils, Celine J. W. TI Koppen bioclimatic evaluation of CMIP historical climate simulations SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE Koppen; bioclimate; CMIP; models; simulations; performance; metrics ID GLOBAL-MODEL; WORLD MAP; CLASSIFICATION; EUROPE; SHIFTS; PRECIPITATION; MULTIMODEL; VEGETATION; TEMPERATURE; ENSEMBLE AB Koppen bioclimatic classification relates generic vegetation types to characteristics of the interactive annual-cycles of continental temperature (T) and precipitation (P). In addition to predicting possible bioclimatic consequences of past or prospective climate change, a Koppen scheme can be used to pinpoint biases in model simulations of historical T and P. In this study a Koppen evaluation of Coupled Model Intercomparison Project (CMIP) simulations of historical climate is conducted for the period 1980-1999. Evaluation of an example CMIP5 model illustrates how errors in simulating Koppen vegetation types (relative to those derived from observational reference data) can be deconstructed and related to model-specific temperature and precipitation biases. Measures of CMIP model skill in simulating the reference Koppen vegetation types are also developed, allowing the bioclimatic performance of a CMIP5 simulation of T and P to be compared quantitatively with its CMIP3 antecedent. Although certain bioclimatic discrepancies persist across model generations, the CMIP5 models collectively display an improved rendering of historical T and P relative to their CMIP3 counterparts. In addition, the Koppen-based performance metrics are found to be quite insensitive to alternative choices of observational reference data or to differences in model horizontal resolution. C1 [Phillips, Thomas J.; Bonfils, Celine J. W.] Lawrence Livermore Natl Lab, PCMDI, Livermore, CA 94550 USA. RP Phillips, TJ (reprint author), Lawrence Livermore Natl Lab, PCMDI, Mailcode L-103 7000 East Ave, Livermore, CA 94550 USA. EM phillips14@llnl.gov FU U.S. Department of Energy Office of Science; Lawrence Livermore National Laboratory [DE-AC52-07Na27344] FX This work was funded by the U.S. Department of Energy Office of Science and was performed at the Lawrence Livermore National Laboratory under Contract DE-AC52-07Na27344. We also acknowledge the World Climate Research Programme's Working Group on Coupled Modelling, which is responsible for CMIP, and we thank the modeling groups (listed in table 2 of this paper) for producing and making available their simulation outputs. For CMIP, the U.S. Department of Energy's Program for Climate Model Diagnosis and Intercomparison (PCMDI) provides coordinating support and leads the development of software infrastructure in partnership with the Global Organization for Earth System Science Portals. Finally, we gratefully acknowledge the generous computational assistance provided by Charles Doutriaux. NR 55 TC 1 Z9 1 U1 2 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD JUN PY 2015 VL 10 IS 6 AR 064005 DI 10.1088/1748-9326/10/6/064005 PG 15 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CL3FK UT WOS:000356835600007 ER PT J AU Benhar, O Lovato, A AF Benhar, Omar Lovato, Alessandro TI Towards a unified description of the electroweak nuclear response SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article DE Neutrino interactions; neutrino-nucleus cross-section; neutrino mean free path in nuclear matter ID MONTE-CARLO CALCULATIONS; LIGHT-NUCLEI; VARIATIONAL CALCULATIONS; NEUTRINO INTERACTIONS; EXCHANGE CURRENTS; CROSS-SECTIONS; JET TARGET; SCATTERING; MATTER; DYNAMICS AB We briefly review the growing efforts to set up a unified framework for the description of neutrino interactions with atomic nuclei and nuclear matter, applicable in the broad kinematical region corresponding to neutrino energies ranging between few MeV and few GeV. The emerging picture suggests that the formalism of nuclear many-body theory (NMBT) can be exploited to obtain the neutrino-nucleus cross-sections needed for both the interpretation of oscillation signals and simulations of neutrino transport in compact stars. C1 [Benhar, Omar] Univ Roma La Sapienza, Ist Nazl Fis Nucl, I-00185 Rome, Italy. [Benhar, Omar] Univ Roma La Sapienza, Dept Phys, I-00185 Rome, Italy. [Lovato, Alessandro] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Benhar, O (reprint author), Univ Roma La Sapienza, Ist Nazl Fis Nucl, Piazzale Aldo Moro 5, I-00185 Rome, Italy. EM omar.benhar@roma1.infn.it; lovato@anl.gov OI Lovato, Alessandro/0000-0002-2194-4954 FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics [DE-AC02-06CH11357] FX The content of this short review is partly based on a talk given by OB at the Los Alamos National Laboratory, the hospitality of which is gratefully acknowledged. This research is supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under contract DE-AC02-06CH11357 (AL). The authors are deeply indebted to Artur Ankowski, Joe Carlson, Camillo Mariani, Davide Meloni, Steven Pieper, Noemi Rocco, Makoto Sakuda, Rocco Schiavilla, and Robert Wiringa for countless illuminating discussions on issues related to the subject of this work. NR 80 TC 0 Z9 0 U1 0 U2 2 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 EI 1793-6608 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD JUN PY 2015 VL 24 IS 6 AR 1530006 DI 10.1142/S0218301315300064 PG 24 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA CL2VQ UT WOS:000356805000001 ER PT J AU Lin, QQ Wang, T Li, HL London, E AF Lin, Qingqing Wang, Tong Li, Huilin London, Erwin TI Decreasing Transmembrane Segment Length Greatly Decreases Perfringolysin O Pore Size SO JOURNAL OF MEMBRANE BIOLOGY LA English DT Article DE Cholesterol-dependent cytolysin; Bacterial toxin proteins; Cholesterol; Transmembrane protein; Hydrophobic mismatch ID CHOLESTEROL-DEPENDENT CYTOLYSIN; INDEPENDENT-MUTAGENESIS SLIM; FORMING TOXINS; ALPHA-TOXIN; CLOSTRIDIUM-PERFRINGENS; ELECTRON-MICROSCOPY; HEPTAMERIC PORE; BETA-BARREL; LOW PH; MECHANISM AB Perfringolysin O (PFO) is a transmembrane (TM) beta-barrel protein that inserts into mammalian cell membranes. Once inserted into membranes, PFO assembles into pore-forming oligomers containing 30-50 PFO monomers. These form a pore of up to 300 , far exceeding the size of most other proteinaceous pores. In this study, we found that altering PFO TM segment length can alter the size of PFO pores. A PFO mutant with lengthened TM segments oligomerized to a similar extent as wild-type PFO, and exhibited pore-forming activity and a pore size very similar to wild-type PFO as measured by electron microscopy and a leakage assay. In contrast, PFO with shortened TM segments exhibited a large reduction in pore-forming activity and pore size. This suggests that the interaction between TM segments can greatly affect the size of pores formed by TM beta-barrel proteins. PFO may be a promising candidate for engineering pore size for various applications. C1 [Lin, Qingqing; Li, Huilin; London, Erwin] SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. [Wang, Tong; Li, Huilin] Brookhaven Natl Lab, Biosci Dept, Upton, NY 11973 USA. RP London, E (reprint author), SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. EM erwin.london@stonybrook.edu NR 44 TC 2 Z9 2 U1 1 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2631 EI 1432-1424 J9 J MEMBRANE BIOL JI J. Membr. Biol. PD JUN PY 2015 VL 248 IS 3 SI SI BP 517 EP 527 DI 10.1007/s00232-015-9798-5 PG 11 WC Biochemistry & Molecular Biology; Cell Biology; Physiology SC Biochemistry & Molecular Biology; Cell Biology; Physiology GA CL6AM UT WOS:000357047500014 PM 25850715 ER PT J AU Medlyn, BE Zaehle, S De Kauwe, MG Walker, AP Dietze, MC Hanson, PJ Hickler, T Jain, AK Luo, YQ Parton, W Prentice, IC Thornton, PE Wang, SS Wang, YP Weng, ES Iversen, CM McCarthy, HR Warren, JM Oren, R Norby, RJ AF Medlyn, Belinda E. Zaehle, Soenke De Kauwe, Martin G. Walker, Anthony P. Dietze, Michael C. Hanson, Paul J. Hickler, Thomas Jain, Atul K. Luo, Yiqi Parton, William Prentice, I. Colin Thornton, Peter E. Wang, Shusen Wang, Ying-Ping Weng, Ensheng Iversen, Colleen M. McCarthy, Heather R. Warren, Jeffrey M. Oren, Ram Norby, Richard J. TI Using ecosystem experiments to improve vegetation models SO NATURE CLIMATE CHANGE LA English DT Article ID AIR CO2 ENRICHMENT; CARBON-NITROGEN INTERACTIONS; ELEVATED ATMOSPHERIC CO2; TEMPERATE FOREST; STOMATAL CONDUCTANCE; DECIDUOUS FOREST; FACE EXPERIMENTS; CYCLE MODELS; WATER-STRESS; CLIMATE AB Ecosystem responses to rising CO2 concentrations are a major source of uncertainty in climate change projections. Data from ecosystem-scale Free-Air CO2 Enrichment (FACE) experiments provide a unique opportunity to reduce this uncertainty. The recent FACE Model-Data Synthesis project aimed to use the information gathered in two forest FACE experiments to assess and improve land ecosystem models. A new 'assumption-centred' model intercomparison approach was used, in which participating models were evaluated against experimental data based on the ways in which they represent key ecological processes. By identifying and evaluating the main assumptions causing differences among models, the assumption-centred approach produced a clear roadmap for reducing model uncertainty. Here, we explain this approach and summarize the resulting research agenda. We encourage the application of this approach in other model intercomparison projects to fundamentally improve predictive understanding of the Earth system. C1 [Medlyn, Belinda E.; De Kauwe, Martin G.; Prentice, I. Colin] Macquarie Univ, Dept Biol Sci, Sydney, NSW 2109, Australia. [Medlyn, Belinda E.] Univ Western Sydney, Hawkesbury Inst Environm, Penrith, NSW 2751, Australia. [Zaehle, Soenke] Max Planck Inst Biogeochem, Biogeochem Integrat Dept, D-07745 Jena, Germany. [Walker, Anthony P.; Hanson, Paul J.; Thornton, Peter E.; Iversen, Colleen M.; Warren, Jeffrey M.; Norby, Richard J.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN USA. [Walker, Anthony P.; Hanson, Paul J.; Thornton, Peter E.; Iversen, Colleen M.; Warren, Jeffrey M.; Norby, Richard J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Dietze, Michael C.] Boston Univ, Dept Earth & Environm, Boston, MA 02215 USA. [Hickler, Thomas] Biodivers & Climate Res Ctr BiK F, D-60325 Frankfurt, Germany. [Hickler, Thomas] Senckenberg Gesell Nat Forsch, D-60325 Frankfurt, Germany. [Hickler, Thomas] Goethe Univ Frankfurt, Dept Phys Geog, D-60438 Frankfurt, Germany. [Jain, Atul K.] Univ Illinois, Urbana, IL 61801 USA. [Luo, Yiqi; McCarthy, Heather R.] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Parton, William] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. [Prentice, I. Colin] Grand Challenges Ecosyst & Environm, Biosphere & Climate Impacts, Ascot SL5 7PY, Berks, England. [Prentice, I. Colin] Grantham Inst Climate Change & Environm, Dept Life Sci, Ascot SL5 7PY, Berks, England. [Wang, Shusen] Nat Resources Canada, Ottawa, ON K1A 0Y7, Canada. [Wang, Ying-Ping] CSIRO Ocean & Atmosphere Flagship, Aspendale, Vic 3195, Australia. [Weng, Ensheng] Princeton Univ, Dept Ecol & Evolutionary Biol, Princeton, NJ 08544 USA. [Oren, Ram] Duke Univ, Nicholas Sch Environm, Div Environm Sci & Policy, Durham, NC 27708 USA. [Oren, Ram] Swedish Univ Agr Sci SLU, Dept Forest Ecol & Management, SE-90183 Umea, Sweden. RP Medlyn, BE (reprint author), Macquarie Univ, Dept Biol Sci, Sydney, NSW 2109, Australia. EM b.medlyn@uws.edu.au RI Norby, Richard/C-1773-2012; Hanson, Paul J./D-8069-2011; Thornton, Peter/B-9145-2012; Walker, Anthony/G-2931-2016; Jain, Atul/D-2851-2016; Hickler, Thomas/S-6287-2016; wang, yp/A-9765-2011; Zaehle, Sonke/C-9528-2017; Weng, Ensheng/E-4390-2012; Warren, Jeffrey/B-9375-2012 OI Wang, Shusen/0000-0003-1860-899X; Norby, Richard/0000-0002-0238-9828; Hanson, Paul J./0000-0001-7293-3561; Thornton, Peter/0000-0002-4759-5158; Walker, Anthony/0000-0003-0557-5594; Jain, Atul/0000-0002-4051-3228; Hickler, Thomas/0000-0002-4668-7552; Zaehle, Sonke/0000-0001-5602-7956; Medlyn, Belinda/0000-0001-5728-9827; Weng, Ensheng/0000-0002-1858-4847; Warren, Jeffrey/0000-0002-0680-4697 FU National Center for Ecological Analysis and Synthesis, a centre - National Science Foundation [EF-0553768]; University of California, Santa Barbara; state of California; ARC [DP1094791]; European Community [PERG02-GA-2007-224775, 238366]; LOEWE initiative for scientific and economic excellence of the German federal state of Hesse; NSF [NSF AGS 12-43071]; US Department of Energy [DOE DE-SC0006706]; NASA LCLUC programme [NASA NNX14AD94G] FX The ORNL and Duke FACE sites and synthesis activities were supported by the US Department of Energy Office of Science, Biological and Environmental Research programme. This work was initiated under the Benchmarking Ecosystem Response Models with Experimental Data from Long-Term CO2 Enrichment Experiments Working Group supported by the National Center for Ecological Analysis and Synthesis, a centre financially supported by the National Science Foundation (grant EF-0553768), the University of California, Santa Barbara, and the state of California. M.D.K. was also supported by ARC discovery grant DP1094791. S.Z. was also supported by the European Community's Seventh Framework Programme FP7 people programme through grants PERG02-GA-2007-224775 and 238366. T.H. was also supported through the LOEWE initiative for scientific and economic excellence of the German federal state of Hesse. This work is a contribution to the AXA Chair Programme in Biosphere and Climate Impacts and the Grand Challenges in Ecosystems and the Environment initiative at Imperial College. A.K.J. was also supported by the NSF (NSF AGS 12-43071), the US Department of Energy (DOE DE-SC0006706) and NASA LCLUC programme (NASA NNX14AD94G). NR 65 TC 32 Z9 32 U1 22 U2 102 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1758-678X EI 1758-6798 J9 NAT CLIM CHANGE JI Nat. Clim. Chang. PD JUN PY 2015 VL 5 IS 6 BP 528 EP 534 PG 7 WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CL2YR UT WOS:000356814800026 ER PT J AU Keiluweit, M Bougoure, JJ Nico, PS Pett-Ridge, J Weber, PK Kleber, M AF Keiluweit, Marco Bougoure, Jeremy J. Nico, Peter S. Pett-Ridge, Jennifer Weber, Peter K. Kleber, Markus TI Mineral protection of soil carbon counteracted by root exudates SO NATURE CLIMATE CHANGE LA English DT Article ID FLOOR ORGANIC-MATTER; MICROBIAL UTILIZATION; CO2 ENRICHMENT; LOLIUM-PERENNE; FOREST; MECHANISMS; RHIZOSPHERE; TEMPERATURE; COMMUNITY; TURNOVER AB Multiple lines of existing evidence suggest that climate change enhances root exudation of organic compounds into soils. Recent experimental studies show that increased exudate inputs may cause a net loss of soil carbon. This stimulation of microbial carbon mineralization ('priming') is commonly rationalized by the assumption that exudates provide a readily bioavailable supply of energy for the decomposition of native soil carbon (co-metabolism). Here we show that an alternate mechanism can cause carbon loss of equal or greater magnitude. We find that a common root exudate, oxalic acid, promotes carbon loss by liberating organic compounds from protective associations with minerals. By enhancing microbial access to previously mineral-protected compounds, this indirect mechanism accelerated carbon loss more than simply increasing the supply of energetically more favourable substrates. Our results provide insights into the coupled biotic-abiotic mechanisms underlying the 'priming' phenomenon and challenge the assumption that mineral-associated carbon is protected from microbial cycling over millennial timescales. C1 [Keiluweit, Marco; Kleber, Markus] Oregon State Univ, Dept Crop & Soil Sci, Corvallis, OR 97331 USA. [Keiluweit, Marco; Bougoure, Jeremy J.; Pett-Ridge, Jennifer; Weber, Peter K.] Lawrence Livermore Natl Lab, Chem Sci Div, Livermore, CA 94550 USA. [Bougoure, Jeremy J.] Univ Western Australia, Sch Earth & Environm, Crawley, WA 6009, Australia. [Nico, Peter S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA. [Kleber, Markus] Leibnitz Zentrum Agrarlandschaftsforsch ZALF eV, Inst Bodenlandschaftsforsch, D-15374 Muncheberg, Germany. RP Keiluweit, M (reprint author), Oregon State Univ, Dept Crop & Soil Sci, ALS Bldg 3017, Corvallis, OR 97331 USA. EM keiluweit@umass.edu RI Nico, Peter/F-6997-2010 OI Nico, Peter/0000-0002-4180-9397 FU Lawrence Scholar Fellowship awarded through Lawrence Livermore National Laboratory (LLNL); Institute of Soil Landscape Research, Leibniz-Center for Agricultural Landscape Research (ZALF), Muncheberg,Germany [2014-1918]; US Department of Energy by LLNL [DE-AC52-07NA27344]; LLNL LDRD 'Microbes and Minerals: Imaging C Stabilization'; US DOE Genomics Science program award [SA-DOE-29318]; LBNL from LLNL [IC006762]; DOE-BER Sustainable Systems SFA; Office of Science, Office of Basic Energy Sciences, of the US DOE [DE-AC02-05CH11231] FX The authors thank A.L.D. Kilcoyne (ALS beamline 5.3.2.2), S.Y. Liu and M. Ahmed (ALS beamline 9.0.2) for their support. M. Keiluweit was supported by a Lawrence Scholar Fellowship awarded through Lawrence Livermore National Laboratory (LLNL). M. Kleber acknowledges support through Research Agreement No. 2014-1918 with the Institute of Soil Landscape Research, Leibniz-Center for Agricultural Landscape Research (ZALF), Muncheberg,Germany. This work was performed under the auspices of the US Department of Energy by LLNL under Contract DE-AC52-07NA27344. Funding was provided by LLNL LDRD 'Microbes and Minerals: Imaging C Stabilization' and a US DOE Genomics Science program award SA-DOE-29318 to J.P-R. The work of P.S.N. is supported by LBNL award No. IC006762 as sub-award from LLNL and DOE-BER Sustainable Systems SFA. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US DOE under Contract No. DE-AC02-05CH11231. NR 53 TC 36 Z9 36 U1 38 U2 158 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1758-678X EI 1758-6798 J9 NAT CLIM CHANGE JI Nat. Clim. Chang. PD JUN PY 2015 VL 5 IS 6 BP 588 EP 595 PG 8 WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CL2YR UT WOS:000356814800038 ER PT J AU Bernardi, M Mustafa, J Neaton, JB Louie, SG AF Bernardi, Marco Mustafa, Jamal Neaton, Jeffrey B. Louie, Steven G. TI Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals SO NATURE COMMUNICATIONS LA English DT Article ID OPTICAL-PROPERTIES; QUASI-PARTICLE; ENERGY; ELECTRONS; QUANTUM; NANOSTRUCTURES; PHONONS AB Hot carriers (HC) generated by surface plasmon polaritons (SPPs) in noble metals are promising for application in optoelectronics, plasmonics and renewable energy. However, existing models fail to explain key quantitative details of SPP-to-HC conversion experiments. Here we develop a quantum mechanical framework and apply first-principles calculations to study the energy distribution and scattering processes of HCs generated by SPPs in Au and Ag. We find that the relative positions of the s and d bands of noble metals regulate the energy distribution and mean free path of the HCs, and that the electron-phonon interaction controls HC energy loss and transport. Our results prescribe optimal conditions for HC generation and extraction, and invalidate previously employed free-electron-like models. Our work combines density functional theory, GW and electron-phonon calculations to provide microscopic insight into HC generation and ultrafast dynamics in noble metals. C1 [Bernardi, Marco; Mustafa, Jamal; Neaton, Jeffrey B.; Louie, Steven G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bernardi, Marco; Mustafa, Jamal; Neaton, Jeffrey B.; Louie, Steven G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Kavli Inst Energy Nanosci Berkeley, Berkeley, CA 94720 USA. RP Louie, SG (reprint author), Univ Calif Berkeley, Dept Phys, 366 LeConte Hall 7300, Berkeley, CA 94720 USA. EM sglouie@berkeley.edu RI Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014 OI Neaton, Jeffrey/0000-0001-7585-6135; FU SciDAC Program on Excited State Phenomena in Energy Materials - US Department of Energy, Office of Basic Energy Sciences; Advanced Scientific Computing Research at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; National Science Foundation [DMR 10-1006184]; Office of Science, Office of Basic Energy Sciences; US Department of Energy [DE-AC02-05CH11231]; Office of Science of the US Department of Energy FX This research was supported by the SciDAC Program on Excited State Phenomena in Energy Materials funded by the US Department of Energy, Office of Basic Energy Sciences and by the Advanced Scientific Computing Research, under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory which provided for algorithm and code developments and simulations; and by the National Science Foundation under grant DMR 10-1006184 which provided for basic theory and formalism. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences and by the the US Department of Energy under Contract No. 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 US Department of Energy. NR 46 TC 32 Z9 32 U1 23 U2 106 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2015 VL 6 AR 7044 DI 10.1038/ncomms8044 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CL7OO UT WOS:000357161800001 PM 26033445 ER PT J AU Choi, WS Lee, SA You, JH Lee, S Lee, HN AF Choi, Woo Seok Lee, Sang A. You, Jeong Ho Lee, Suyoun Lee, Ho Nyung TI Resonant tunnelling in a quantum oxide superlattice SO NATURE COMMUNICATIONS LA English DT Article ID HETEROSTRUCTURES; BARRIERS; POLARIZATION; JUNCTIONS; VOLTAGE; STATES AB Resonant tunnelling is a quantum mechanical process that has long been attracting both scientific and technological attention owing to its intriguing underlying physics and unique applications for high-speed electronics. The materials system exhibiting resonant tunnelling, however, has been largely limited to the conventional semiconductors, partially due to their excellent crystalline quality. Here we show that a deliberately designed transition metal oxide superlattice exhibits a resonant tunnelling behaviour with a clear negative differential resistance. The tunnelling occurred through an atomically thin, lanthanum delta-doped SrTiO3 layer, and the negative differential resistance was realized on top of the bipolar resistance switching typically observed for perovskite oxide junctions. This combined process resulted in an extremely large resistance ratio (similar to 10(5)) between the high and low-resistance states. The unprecedentedly large control found in atomically thin delta-doped oxide superlattices can open a door to novel oxide-based high-frequency logic devices. C1 [Choi, Woo Seok; Lee, Suyoun; Lee, Ho Nyung] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Choi, Woo Seok; Lee, Sang A.] Sungkyunkwan Univ, Dept Phys, Suwon 440746, Gyeonggi Do, South Korea. [Lee, Sang A.] Sungkyunkwan Univ, Inst Basic Sci, Suwon 440746, Gyeonggi Do, South Korea. [You, Jeong Ho] So Methodist Univ, Dept Mech Engn, Dallas, TX 75205 USA. [Lee, Suyoun] Korea Inst Sci & Technol, Elect Mat Res Ctr, Seoul 136791, South Korea. RP Lee, HN (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM hnlee@ornl.gov RI Choi, Woo Seok/G-8783-2014; Lee, Ho Nyung/K-2820-2012 OI Lee, Ho Nyung/0000-0002-2180-3975 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; Basic Science Research Program through the National Research Foundation of Korea (NRF) - Ministry of Science, ICT and future Planning [NRF-2014R1A2A2A01006478]; Ministry of Education [NRF-2013R1A1A2057523]; KIST Institutional Program [2E25440] FX We thank In Rok Hwang, Taekjib Choi, Cheol Seong Hwang and Shinbuhm Lee for valuable discussions. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division (W.S.C. and H.N.L.). The work on leakage current analysis was in part supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT and future Planning (NRF-2014R1A2A2A01006478, W.S.C.) and by the Ministry of Education (NRF-2013R1A1A2057523, S.A.L.). S.L. was supported by KIST Institutional Program (Project No. 2E25440). NR 39 TC 5 Z9 5 U1 5 U2 37 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2015 VL 6 AR 7424 DI 10.1038/ncomms8424 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CL7UE UT WOS:000357176400004 PM 26104684 ER PT J AU Ciston, J Brown, HG D'Alfonso, AJ Koirala, P Ophus, C Lin, Y Suzuki, Y Inada, H Zhu, Y Allen, LJ Marks, LD AF Ciston, J. Brown, H. G. D'Alfonso, A. J. Koirala, P. Ophus, C. Lin, Y. Suzuki, Y. Inada, H. Zhu, Y. Allen, L. J. Marks, L. D. TI Surface determination through atomically resolved secondary-electron imaging SO NATURE COMMUNICATIONS LA English DT Article ID ENERGY-LOSS SPECTROSCOPY; 111 GOLD PLATELETS; ANGULAR-DEPENDENCE; RAY-DIFFRACTION; SRTIO3; DENSITY; MICROSCOPE; PHOTOEMISSION; SCATTERING; EMISSION AB Unique determination of the atomic structure of technologically relevant surfaces is often limited by both a need for homogeneous crystals and ambiguity of registration between the surface and bulk. Atomically resolved secondary-electron imaging is extremely sensitive to this registration and is compatible with faceted nanomaterials, but has not been previously utilized for surface structure determination. Here we report a detailed experimental atomic-resolution secondary-electron microscopy analysis of the c(6 x 2) reconstruction on strontium titanate (001) coupled with careful simulation of secondary-electron images, density functional theory calculations and surface monolayer-sensitive aberration-corrected plan-view high-resolution transmission electron microscopy. Our work reveals several unexpected findings, including an amended registry of the surface on the bulk and strontium atoms with unusual seven-fold coordination within a typically high surface coverage of square pyramidal TiO5 units. Dielectric screening is found to play a critical role in attenuating secondary-electron generation processes from valence orbitals. C1 [Ciston, J.; Ophus, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Mol Foundry, Berkeley, CA 94720 USA. [Brown, H. G.; D'Alfonso, A. J.; Allen, L. J.] Univ Melbourne, Sch Phys, Parkville, Vic 3010, Australia. [Koirala, P.; Lin, Y.; Marks, L. D.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Suzuki, Y.] Hitachi High Technol Corp, Applicat Dev Dept, Ibaraki 3128504, Japan. [Inada, H.] Hitachi High Technol Corp, Adv Microscope Design Dept, Ibaraki 3128504, Japan. [Zhu, Y.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. RP Ciston, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Mol Foundry, Berkeley, CA 94720 USA. EM jciston@lbl.gov RI Marks, Laurence/B-7527-2009; Foundry, Molecular/G-9968-2014; OI Koirala, Pratik/0000-0002-8518-2135; Brown, Hamish/0000-0003-2292-7766 FU DOE [DE-FG02-01ER45945]; NSF [DMR-1206320]; DOE, Basic Energy Science, Material Science and Engineering Division [DE-AC02-98CH10886]; Office of Science, Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; Discovery Projects funding scheme of the Australian Research Council [DP110102228]; Discovery Early Career Researcher Award from the Australian Research Council [DE130100739] FX We acknowledge Mark Asta, Axel van de Walle, Oliver Warschkow, George Schatz and A. K. Rajagopal for useful discussions. L.D.M. and Y.L. acknowledge funding by the DOE on Grant No. DE-FG02-01ER45945; P.K. acknowledges funding by the NSF on grant number DMR-1206320. Y.Z. acknowledges funding by the DOE, Basic Energy Science, Material Science and Engineering Division under Contract No. DE-AC02-98CH10886. A portion of the electron microscopy experiments were performed at the NCEM facility of the Molecular Foundry, which is supported by the Office of Science, Basic Energy Sciences of the U.S. Department of Energy under Contract DE-AC02-05CH11231. This research was also supported under the Discovery Projects funding scheme of the Australian Research Council (Project No. DP110102228) and by a Discovery Early Career Researcher Award from the Australian Research Council (Project No. DE130100739). NR 50 TC 6 Z9 6 U1 6 U2 41 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2015 VL 6 AR 7358 DI 10.1038/ncomms8358 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CL7TF UT WOS:000357173900001 PM 26082275 ER PT J AU Doyle, PM Jogo, K Nagashima, K Krot, AN Wakita, S Ciesla, FJ Hutcheon, ID AF Doyle, Patricia M. Jogo, Kaori Nagashima, Kazuhide Krot, Alexander N. Wakita, Shigeru Ciesla, Fred J. Hutcheon, Ian D. TI Early aqueous activity on the ordinary and carbonaceous chondrite parent bodies recorded by fayalite SO NATURE COMMUNICATIONS LA English DT Article ID EARLY SOLAR-SYSTEM; OXYGEN-ISOTOPE FRACTIONATION; PROTOPLANETARY DISK; RATIO ESTIMATION; ORGANIC-MATTER; ASTEROID BELT; CHRONOLOGY; CHONDRULES; EVOLUTION; ALLENDE AB Chronology of aqueous activity on chondrite parent bodies constrains their accretion times and thermal histories. Radiometric Mn-53-Cr-53 dating has been successfully applied to aqueously formed carbonates in CM carbonaceous chondrites. Owing to the absence of carbonates in ordinary (H, L and LL), and CV and CO carbonaceous chondrites, and the lack of proper standards, there are no reliable ages of aqueous activity on their parent bodies. Here we report the first Mn-53-Cr-53 ages of aqueously formed fayalite in the L3 chondrite Elephant Moraine 90161 as 2.4(-1.3)(+1.8) Myr after calcium-aluminium-rich inclusions (CAIs), the oldest Solar System solids. In addition, measurements using our synthesized fayalite standard show that fayalite in the CV3 chondrite Asuka 881317 and CO3-like chondrite MacAlpine Hills 88107 formed 4.2(-0.7)(+0.8) and 5.1(-0.4)(+0.5) Myr after CAIs, respectively. Thermal modelling, combined with the inferred conditions (temperature and water/rock ratio) and Mn-53-Cr-53 ages of aqueous alteration, suggests accretion of the L, CV and CO parent bodies similar to 1.8 - 2.5 Myr after CAIs. C1 [Doyle, Patricia M.; Jogo, Kaori; Nagashima, Kazuhide; Krot, Alexander N.] Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. [Doyle, Patricia M.; Jogo, Kaori; Krot, Alexander N.] Univ Hawaii, NASA Astrobiol Inst, Honolulu, HI 96822 USA. [Wakita, Shigeru] Natl Astron Observ Japan, Ctr Computat Astrophys, Mitaka, Tokyo 1818588, Japan. [Ciesla, Fred J.] Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. [Hutcheon, Ian D.] Lawrence Livermore Natl Lab, Glenn Seaborg Inst, Livermore, CA 94551 USA. RP Doyle, PM (reprint author), Univ Cape Town, Dept Geol Sci, ZA-7701 Rondebosch, South Africa. EM pdoyle@higp.hawaii.edu; sasha@higp.hawaii.edu OI Wakita, Shigeru/0000-0002-3161-3454 NR 66 TC 12 Z9 12 U1 5 U2 20 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2015 VL 6 AR 7444 DI 10.1038/ncomms8444 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CL7UH UT WOS:000357176700010 PM 26100451 ER PT J AU Jang, JW Du, C Ye, YF Lin, YJ Yao, XH Thorne, J Liu, E McMahon, G Zhu, JF Javey, A Guo, JH Wang, DW AF Jang, Ji-Wook Du, Chun Ye, Yifan Lin, Yongjing Yao, Xiahui Thorne, James Liu, Erik McMahon, Gregory Zhu, Junfa Javey, Ali Guo, Jinghua Wang, Dunwei TI Enabling unassisted solar water splitting by iron oxide and silicon SO NATURE COMMUNICATIONS LA English DT Article ID EARTH-ABUNDANT CATALYSTS; HYDROGEN-PRODUCTION; HEMATITE; PHOTOANODES; OXIDATION; ELECTRODES; PHOTOELECTROCHEMISTRY; PHOTOLYSIS; EFFICIENCY AB Photoelectrochemical (PEC) water splitting promises a solution to the problem of large-scale solar energy storage. However, its development has been impeded by the poor performance of photoanodes, particularly in their capability for photovoltage generation. Many examples employing photovoltaic modules to correct the deficiency for unassisted solar water splitting have been reported to-date. Here we show that, by using the prototypical photoanode material of haematite as a study tool, structural disorders on or near the surfaces are important causes of the low photovoltages. We develop a facile re-growth strategy to reduce surface disorders and as a consequence, a turn-on voltage of 0.45V (versus reversible hydrogen electrode) is achieved. This result permits us to construct a photoelectrochemical device with a haematite photoanode and Si photocathode to split water at an overall efficiency of 0.91%, with NiFeOx and TiO2/Pt overlayers, respectively. C1 [Jang, Ji-Wook; Du, Chun; Yao, Xiahui; Thorne, James; Liu, Erik; McMahon, Gregory; Wang, Dunwei] Boston Coll, Merkert Chem Ctr, Dept Chem, Chestnut Hill, MA 02467 USA. [Ye, Yifan; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Ye, Yifan; Zhu, Junfa] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Peoples R China. [Lin, Yongjing; Javey, Ali] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Lin, Yongjing; Javey, Ali] Univ Calif Berkeley, Joint Ctr Artificial Synth, Berkeley, CA 94720 USA. RP Wang, DW (reprint author), Boston Coll, Merkert Chem Ctr, Dept Chem, 2609 Beacon St, Chestnut Hill, MA 02467 USA. EM dunwei.wang@bc.edu RI Javey, Ali/B-4818-2013; Zhu, Junfa/E-4020-2010; Jang, Ji-Wook/S-3781-2016; OI Zhu, Junfa/0000-0003-0888-4261; Jang, Ji-Wook/0000-0003-1251-1011; Thorne, James/0000-0002-7711-428X FU National Science Foundation (DMR) [1055762, 1317280]; Office of Science, Office of Basic Energy Sciences, of U.S. Department of Energy [DE-AC02-05CH11231]; National Basic Research Program of China [2013CB834605]; National Natural Science Foundation of China [U1232102] FX The work is supported by the National Science Foundation (DMR 1055762, 1317280 to J.W.J, D.C., and D.W.). 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. J.F.Z. acknowledges the financial support from the National Basic Research Program of China (2013CB834605) and the National Natural Science Foundation of China (U1232102). We thank J. Xie and Y. He for their technical assistance. NR 34 TC 62 Z9 63 U1 48 U2 251 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2015 VL 6 AR 7447 DI 10.1038/ncomms8447 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CL7UI UT WOS:000357176800001 PM 26078190 ER PT J AU Wang, JJ Eng, C Chen-Wiegart, YCK Wang, J AF Wang, Jiajun Eng, Christopher Chen-Wiegart, Yu-chen Karen Wang, Jun TI Probing three-dimensional sodiation-desodiation equilibrium in sodium-ion batteries by in situ hard X-ray nanotomography SO NATURE COMMUNICATIONS LA English DT Article ID ELECTROCHEMICAL LITHIATION; TIN; ELECTRODE; ANODES; QUANTIFICATION; VISUALIZATION; MICROSCOPY; RESOLUTION; MECHANISM; EVOLUTION AB Materials degradation-the main limiting factor for widespread application of alloy anodes in battery systems-was assumed to be worse in sodium alloys than in lithium analogues due to the larger sodium-ion radius. Efforts to relieve this problem are reliant on the understanding of electrochemical and structural degradation. Here we track three-dimensional structural and chemical evolution of tin anodes in sodium-ion batteries with in situ synchrotron hard X-ray nanotomography. We find an unusual (de)sodiation equilibrium during multi-electrochemical cycles. The superior structural reversibility during 10 electrochemical cycles and the significantly different morphological change features from comparable lithium-ion systems suggest untapped potential in sodium-ion batteries. These findings differ from the conventional thought that sodium ions always lead to more severe fractures in the electrode than lithium ions, which could have impact in advancing development of sodium-ion batteries. C1 [Wang, Jiajun; Eng, Christopher; Chen-Wiegart, Yu-chen Karen; Wang, Jun] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RP Wang, JJ (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Bldg 743 Ring Rd, Upton, NY 11973 USA. EM junwang@bnl.gov RI wang, jiajun/H-5683-2016 FU American Recovery and Reinvestment Act - Department of Energy, Office of Science, Office of Basic Energy Sciences; Laboratory Directed Research and Development (LDRD) project at Brookhaven National Laboratory; US Department of Energy, Office of Basic Energy Science [DE-AC02-98CH10886] FX This work was supported by the American Recovery and Reinvestment Act funding through Department of Energy, Office of Science, Office of Basic Energy Sciences. This work was also supported by a Laboratory Directed Research and Development (LDRD) project at Brookhaven National Laboratory. The use of the NSLS was supported by the US Department of Energy, Office of Basic Energy Science under contract number DE-AC02-98CH10886. We thank Whyte Chelsea of Photon Sciences at Brookhaven National Laboratory for her kind help and insightful discussions. NR 34 TC 15 Z9 15 U1 21 U2 97 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2015 VL 6 AR 7496 DI 10.1038/ncomms8496 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CL7UX UT WOS:000357178300001 PM 26112384 ER PT J AU Bauer, JR Rose, K AF Bauer, Jennifer R. Rose, Kelly TI Variable Grid Method: An Intuitive Approach for Simultaneously Quantifying and Visualizing Spatial Data and Uncertainty SO TRANSACTIONS IN GIS LA English DT Article; Proceedings Paper CT ESRI International User Conference CY 2015 CL San Diego, CA SP ESRI ID DESIGN AB Efforts to develop applications and methods that effectively quantify and communicate uncertainty associated with spatial data remains a focus within many scientific communities. However, the inherent complexity of uncertainty makes it difficult to define, characterize, and represent. Frequently, the products of spatial and spatio-temporal data are presented without a clear explanation of the inherent uncertainty underlying the data. As uses and applications for spatial data and their products continues to increase, so does the importance for utilizing reliable approaches to effectively communicate spatial data along with their inherent uncertainties. To address this need, the Variable Grid Method (VGM) was developed as an intuitive approach that simultaneously communicates both spatial patterns and trends and the uncertainty associated with data or their analyses. This article details the VGM approach and demonstrates the utility of the VGM to provide critical information about the relationship between uncertainty and spatial data, necessary to support the increasing utilization of spatial information for a wide range of research and other needs. C1 [Bauer, Jennifer R.; Rose, Kelly] Natl Energy Technol Lab, Albany, OR 97321 USA. RP Bauer, JR (reprint author), Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. EM jennifer.bauer@contr.netl.doe.gov NR 35 TC 0 Z9 0 U1 0 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1361-1682 EI 1467-9671 J9 T GIS JI Trans. GIS PD JUN PY 2015 VL 19 IS 3 BP 377 EP 397 DI 10.1111/tgis.12158 PG 21 WC Geography SC Geography GA CL5VZ UT WOS:000357031800004 ER PT J AU Das, S Yang, B Gu, G Joshi, PC Ivanov, IN Rouleau, CM Aytug, T Geohegan, DB Xiao, K AF Das, Sanjib Yang, Bin Gu, Gong Joshi, Pooran C. Ivanov, Ilia N. Rouleau, Christopher M. Aytug, Tolga Geohegan, David B. Xiao, Kai TI High-Performance Flexible Perovskite Solar Cells by Using a Combination of Ultrasonic Spray-Coating and Low Thermal Budget Photonic Curing SO ACS PHOTONICS LA English DT Article DE perovskite solar cell; ultrasonic spray-coating; photonic curing technique ID ORGANOMETAL HALIDE PEROVSKITES; PHOTOVOLTAIC CELLS; EFFICIENT; DEPOSITION; POLYMER; FABRICATION; INTERFACE; GROWTH; LAYERS; FILMS AB Realizing the commercialization of high-performance and robust perovskite solar cells urgently requires the development of economically scalable processing techniques. Here we report a high-throughput ultrasonic spray-coating (USC) process capable of fabricating perovskite film-based solar cells on glass substrates with a power conversion efficiency (PCE) as high as 13%. Perovskite films with high uniformity, crystallinity, and surface coverage are obtained in a single step. Moreover, we report USC processing on TiO2/ITO-coated polyethylene terephthalate (PET) substrates to realize flexible perovskite solar cells with a PCE as high as 8.1% that are robust under mechanical stress. In this case, a photonic curing technique was used to achieve a highly conductive TiO2 layer on flexible PET substrates for the first time. The high device performance and reliability obtained by this combination of USC processing with optical curing appear very promising for roll-to-roll manufacturing of high-efficiency, flexible perovskite solar cells. C1 [Das, Sanjib; Gu, Gong] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Yang, Bin; Ivanov, Ilia N.; Rouleau, Christopher M.; Geohegan, David B.; Xiao, Kai] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Joshi, Pooran C.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Aytug, Tolga] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. RP Xiao, K (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM xiaok@ornl.gov RI Gu, Gong/L-5919-2015; Rouleau, Christopher/Q-2737-2015; Yang, Bin/P-8529-2014; Geohegan, David/D-3599-2013; Das, Sanjib/A-9255-2017; OI Gu, Gong/0000-0002-3888-1427; Rouleau, Christopher/0000-0002-5488-3537; Yang, Bin/0000-0002-5667-9126; Geohegan, David/0000-0003-0273-3139; Das, Sanjib/0000-0002-5281-4458; ivanov, ilia/0000-0002-6726-2502 FU Laboratory Directed Research and Development award from Oak Ridge National Laboratory FX This research was conducted at the Center for Nanophase Materials Sciences (CNMS), which is a DOE Office of Science User Facility. S. D., P. J., and T. A. acknowledge support provided by a Laboratory Directed Research and Development award from Oak Ridge National Laboratory. NR 37 TC 36 Z9 36 U1 24 U2 107 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2330-4022 J9 ACS PHOTONICS JI ACS Photonics PD JUN PY 2015 VL 2 IS 6 BP 680 EP 686 DI 10.1021/acsphotonics.5b00119 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics; Physics, Applied; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Optics; Physics GA CL2FB UT WOS:000356757900003 ER PT J AU Moitra, P Slovick, BA Li, W Kraychencko, II Briggs, DP Krishnamurthy, S Valentine, J AF Moitra, Parikshit Slovick, Brian A. Li, Wei Kraychencko, Ivan I. Briggs, Dayrl P. Krishnamurthy, S. Valentine, Jason TI Large-Scale All-Dielectric Metamaterial Perfect Reflectors SO ACS PHOTONICS LA English DT Article DE all-dielectric metamaterial; perfect reflector; nanosphere lithography; Mie resonance ID NANOPARTICLES; SCATTERING; PARTICLES; MIRRORS AB All-dielectric metamaterials offer a potential low-loss alternative to plasmonic metamaterials at optical frequencies. Here, we take advantage of the low absorption loss as well as the simple unit cell geometry to demonstrate large-scale (centimeter-sized) all-dielectric metamaterial perfect reflectors made from silicon cylinder resonators. These perfect reflectors, operating in the telecommunications band, were fabricated using self-assembly based nanosphere lithography. In spite of the disorder originating from the self-assembly process, the average reflectance of the metamaterial perfect reflectors is 99.7% at 1530 nm, surpassing the Moreover, the spectral separation of the electric and magnetic resonances can be chosen to bandwidth while maintaining a high tolerance to disorder. The scalability of this design manipulating light for low-loss and large-area photonic applications. C1 [Moitra, Parikshit] Vanderbilt Univ, Interdisciplinary Mat Sci Program, Nashville, TN 37212 USA. [Li, Wei; Valentine, Jason] Vanderbilt Univ, Dept Mech Engn, Nashville, TN 37212 USA. [Slovick, Brian A.; Krishnamurthy, S.] SRI Int, Appl Opt Lab, Menlo Pk, CA 94025 USA. [Kraychencko, Ivan I.; Briggs, Dayrl P.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Valentine, J (reprint author), Vanderbilt Univ, Dept Mech Engn, Nashville, TN 37212 USA. EM jason.g.valentine@vanderbilt.edu RI Li, Wei/C-5904-2017; Kravchenko, Ivan/K-3022-2015; Valentine, Jason/A-6121-2012 OI Li, Wei/0000-0002-2227-9431; Kravchenko, Ivan/0000-0003-4999-5822; FU Office of Naval Research (ONR) [N00014-14-1-0475, N00014-12-1-0722] FX This work was funded by the Office of Naval Research (ONR) under Programs N00014-14-1-0475 (Vanderbilt University) and N00014-12-1-0722 (SRI International). A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. NR 34 TC 40 Z9 41 U1 14 U2 69 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2330-4022 J9 ACS PHOTONICS JI ACS Photonics PD JUN PY 2015 VL 2 IS 6 BP 692 EP 698 DI 10.1021/acsphotonics.51300148 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics; Physics, Applied; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Optics; Physics GA CL2FB UT WOS:000356757900005 ER PT J AU Wei, N Oh, EJ Million, G Cate, JHD Jin, YS AF Wei, Na Oh, Eun Joong Million, Gyver Cate, Jamie H. D. Jin, Yong-Su TI Simultaneous Utilization of Cellobiose, Xylose, and Acetic Acid from Lignocellulosic Biomass for Biofuel Production by an Engineered Yeast Platform SO ACS SYNTHETIC BIOLOGY LA English DT Article DE cellulosic biofuels; cellobiose; xylose; acetic acid; Saccharomyces cerevisiae; fermentation ID SACCHAROMYCES-CEREVISIAE; ETHANOL-PRODUCTION; FERMENTING YEAST; FERMENTATION; EXPRESSION; PHOSPHORYLASE; INHIBITION; STRAINS; ENERGY; XYL2 AB The inability of fermenting microorganisms to use mixed carbon components derived from lignocellulosic biomass is a major technical barrier that hinders the development of economically viable cellulosic biofuel production. In this study, we integrated the fermentation pathways of both hexose and pentose sugars and an acetic acid reduction pathway into one Saccharomyces cerevisiae strain for the first time using synthetic biology and metabolic engineering approaches. The engineered strain coutilized cellobiose, xylose, and acetic acid to produce ethanol with a substantially higher yield and productivity than the control strains, and the results showed the unique synergistic effects of pathway coexpression. The mixed substrate coutilization strategy is important for making complete and efficient use of cellulosic carbon and will contribute to the development of consolidated bioprocessing for cellulosic biofuel. The study also presents an innovative metabolic engineering approach whereby multiple substrate consumption pathways can be integrated in a synergistic way for enhanced bioconversion. C1 [Wei, Na] Univ Pittsburgh, Dept Civil & Environm Engn, Pittsburgh, PA 15261 USA. [Oh, Eun Joong; Jin, Yong-Su] Univ Illinois, Dept Food Sci & Human Nutr, Urbana, IL 61801 USA. [Oh, Eun Joong; Million, Gyver; Jin, Yong-Su] Univ Illinois, Inst Genom Biol, Urbana, IL 61801 USA. [Cate, Jamie H. D.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Cate, Jamie H. D.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Cate, Jamie H. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Jin, YS (reprint author), Univ Illinois, Dept Food Sci & Human Nutr, Urbana, IL 61801 USA. EM ysjin@illinois.edu FU Energy Biosciences Institute FX This work was supported by funding from the Energy Biosciences Institute. NR 34 TC 12 Z9 14 U1 2 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-5063 J9 ACS SYNTH BIOL JI ACS Synth. Biol. PD JUN PY 2015 VL 4 IS 6 BP 707 EP 713 DI 10.1021/sb500364q PG 7 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA CL3HQ UT WOS:000356841400006 PM 25587748 ER PT J AU Bayless, AJ Even, W Frey, LH Fryer, CL Roming, PWA Young, PA AF Bayless, Amanda J. Even, Wesley Frey, Lucille H. Fryer, Chris L. Roming, Peter W. A. Young, Patrick A. TI THE EFFECTS ON SUPERNOVA SHOCK BREAKOUT AND SWIFT LIGHT CURVES DUE TO THE MASS OF THE HYDROGEN-RICH ENVELOPE SO ASTROPHYSICAL JOURNAL LA English DT Article DE methods: data analysis; methods: numerical; stars: fundamental parameters; stars: massive; supernovae: general ID ULTRA-VIOLET/OPTICAL TELESCOPE; THERMONUCLEAR REACTION-RATES; OF-STATE TABLES; ULTRAVIOLET/OPTICAL TELESCOPE; ASTROPHYSICAL APPLICATIONS; TURBULENT CONVECTION; ANALYTIC SOLUTIONS; MODEL CALCULATIONS; STELLAR EVOLUTION; SN 2012AW AB Mass loss remains one of the primary uncertainties in stellar evolution. In the most massive stars, mass loss dictates the circumstellar medium and can significantly alter the fate of the star. Mass loss is caused by a variety of wind mechanisms and also through binary interactions. Supernovae (SNe) are excellent probes of this mass loss, both the circumstellar material and the reduced mass of the hydrogen-rich envelope. In this paper, we focus on the effects of reducing the hydrogen-envelope mass on the SN light curve, studying both the shock breakout and peak light-curve emission for a wide variety of mass-loss scenarios. Even though the trends of this mass loss will be masked somewhat by variations caused by different progenitors, explosion energies, and circumstellar media, these trends have significant effects on the SN light curves that should be seen in SN surveys. We conclude with a comparison of our results to a few key observations. C1 [Bayless, Amanda J.; Roming, Peter W. A.] SW Res Inst, Dept Space Sci, San Antonio, TX 78238 USA. [Bayless, Amanda J.; Roming, Peter W. A.] Univ Texas San Antonio, San Antonio, TX 78249 USA. [Even, Wesley; Frey, Lucille H.; Fryer, Chris L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Fryer, Chris L.] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. [Fryer, Chris L.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Roming, Peter W. A.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Young, Patrick A.] Arizona State Univ, Sch Earth & Space Explorat, Phoenix, AZ 85004 USA. RP Bayless, AJ (reprint author), SW Res Inst, Dept Space Sci, 6220 Culebra Rd, San Antonio, TX 78238 USA. EM abayless@swri.edu OI Frey, Lucille/0000-0002-5478-2293; Even, Wesley/0000-0002-5412-3618 FU National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; Internal Research Development (IRD) Program [15-8333] FX We thank Joseph Smidt of T-2 at LANL for developing the python scripts used in our post-processed codes and to make plots. Work at LANL was done under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. All RAGE and SPECTRUM calculations were performed on Institutional Computing (IC) platforms Wolf, Lobo, and Pinto at LANL. The work at SwRI was supported by the Internal Research Development (IR&D) Program, contract #15-8333. The authors would also like to thank the anonymous referee for their comments toward improving this paper. NR 62 TC 5 Z9 5 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 2015 VL 805 IS 2 AR 98 DI 10.1088/0004-637X/805/2/98 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CL1PG UT WOS:000356715400013 ER PT J AU Chakraborti, S Soderberg, A Chomiuk, L Kamble, A Yadav, N Ray, A Hurley, K Margutti, R Milisavljevic, D Bietenholz, M Brunthaler, A Pignata, G Pian, E Mazzali, P Fransson, C Bartel, N Hamuy, M Levesque, E MacFadyen, A Dittmann, J Krauss, M Briggs, MS Connaughton, V Yamaoka, K Takahashi, T Ohno, M Fukazawa, Y Tashiro, M Terada, Y Murakami, T Goldsten, J Barthelmy, S Gehrels, N Cummings, J Krimm, H Palmer, D Golenetskii, S Aptekar, R Frederiks, D Svinkin, D Cline, T Mitrofanov, IG Golovin, D Litvak, ML Sanin, AB Boynton, W Fellows, C Harshman, K Enos, H von Kienlin, A Rau, A Zhang, X Savchenko, V AF Chakraborti, Sayan Soderberg, Alicia Chomiuk, Laura Kamble, Atish Yadav, Naveen Ray, Alak Hurley, Kevin Margutti, Raffaella Milisavljevic, Dan Bietenholz, Michael Brunthaler, Andreas Pignata, Giuliano Pian, Elena Mazzali, Paolo Fransson, Claes Bartel, Norbert Hamuy, Mario Levesque, Emily MacFadyen, Andrew Dittmann, Jason Krauss, Miriam Briggs, M. S. Connaughton, V. Yamaoka, K. Takahashi, T. Ohno, M. Fukazawa, Y. Tashiro, M. Terada, Y. Murakami, T. Goldsten, J. Barthelmy, S. Gehrels, N. Cummings, J. Krimm, H. Palmer, D. Golenetskii, S. Aptekar, R. Frederiks, D. Svinkin, D. Cline, T. Mitrofanov, I. G. Golovin, D. Litvak, M. L. Sanin, A. B. Boynton, W. Fellows, C. Harshman, K. Enos, H. von Kienlin, A. Rau, A. Zhang, X. Savchenko, V. TI A MISSING-LINK IN THE SUPERNOVA-GRB CONNECTION: THE CASE OF SN 2012ap SO ASTROPHYSICAL JOURNAL LA English DT Article DE gamma-ray burst: general; radiation mechanisms: non-thermal; shock waves; supernovae: individual (SN 2012ap); techniques: interferometric ID GAMMA-RAY BURSTS; RELATIVISTIC BLAST WAVES; 25 APRIL 1998; EMISSION; MODEL; SYNCHROTRON AB Gamma-ray bursts (GRBs) are characterized by ultra-relativistic outflows, while supernovae are generally characterized by non-relativistic ejecta. GRB afterglows decelerate rapidly, usually within days, because their low-mass ejecta rapidly sweep up a comparatively larger mass of circumstellar material. However, supernovae with heavy ejecta can be in nearly free expansion for centuries. Supernovae were thought to have non-relativistic outflows except for a few relativistic ones accompanied by GRBs. This clear division was blurred by SN 2009bb, the first supernova with a relativistic outflow without an observed GRB. However, the ejecta from SN 2009bb was baryon loaded and in nearly free expansion for a year, unlike GRBs. We report the first supernova discovered without a GRB but with rapidly decelerating mildly relativistic ejecta, SN 2012ap. We discovered a bright and rapidly evolving radio counterpart driven by the circumstellar interaction of the relativistic ejecta. However, we did not find any coincident GRB with an isotropic fluence of more than one-sixth of the fluence from GRB 980425. This shows for the first time that central engines in SNe Ic, even without an observed GRB, can produce both relativistic and rapidly decelerating outflows like GRBs. C1 [Chakraborti, Sayan; Soderberg, Alicia; Kamble, Atish; Margutti, Raffaella; Milisavljevic, Dan; Dittmann, Jason] Harvard Smithsonian Ctr Astrophys, Inst Theory & Computat, Cambridge, MA 02138 USA. [Chakraborti, Sayan] Harvard Univ, Cambridge, MA 02138 USA. [Chomiuk, Laura] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Yadav, Naveen; Ray, Alak] Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. [Hurley, Kevin] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Bietenholz, Michael] York Univ, Dept Phys & Astron, N York, ON M3J 1P3, Canada. [Brunthaler, Andreas] Hartebeesthoek Radio Astron Observ, ZA-1740 Krugersdrop, South Africa. [Brunthaler, Andreas] Max Planck Inst Radioastron, D-53121 Bonn, Germany. [Pignata, Giuliano] Univ Andres Bello, Dept Ciencias Fis, Santiago, Chile. [Pian, Elena] Scuola Normale Super Pisa, I-56126 Pisa, Italy. [Mazzali, Paolo] Liverpool John Moores Univ, Liverpool L3 5UX, Merseyside, England. [Mazzali, Paolo] Max Planck Inst Astrophys, D-85748 Garching, Germany. [Fransson, Claes] Stockholm Univ, Dept Astron, SE-10691 Stockholm, Sweden. [Hamuy, Mario] Univ Chile, Dept Astron, Santiago, Chile. [Levesque, Emily] Univ Colorado, C327A, Boulder, CO 80309 USA. [MacFadyen, Andrew] NYU, New York, NY 10003 USA. [Krauss, Miriam] Natl Radio Astron Observ, Socorro, NM 87801 USA. [Briggs, M. S.; Connaughton, V.] Univ Alabama, Ctr Space Plasma & Aeron Res, Huntsville, AL 35899 USA. [Yamaoka, K.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648602, Japan. [Takahashi, T.] ISAS JAXA, Chuo Ku, Sagamihara, Kanagawa 2525210, Japan. [Ohno, M.; Fukazawa, Y.] Hiroshima Univ, Higashihiroshima, Hiroshima 7398526, Japan. [Tashiro, M.; Terada, Y.] Saitama Univ, Sakura Ku, Saitama, Saitama 3388570, Japan. [Murakami, T.] Kanazawa Univ, Kanazawa, Ishikawa 9201192, Japan. [Goldsten, J.] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 20723 USA. [Barthelmy, S.; Gehrels, N.; Cummings, J.; Krimm, H.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Cummings, J.] UMBC, Dept Phys, Baltimore, MD 21250 USA. [Krimm, H.] Univ Space Res Assoc, Columbia, MD 20144 USA. [Palmer, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Golenetskii, S.; Aptekar, R.; Frederiks, D.; Svinkin, D.] AF Ioffe Phys Tech Inst, St Petersburg 194021, Russia. [Cline, T.] NASA, Goddard Space Flight Ctr, Emeritus, Greenbelt, MD 20771 USA. [Mitrofanov, I. G.; Golovin, D.; Litvak, M. L.; Sanin, A. B.] Space Res Inst, Moscow 117997, Russia. [Boynton, W.; Fellows, C.; Harshman, K.; Enos, H.] Univ Arizona, Dept Planetary Sci, Tucson, AZ 85721 USA. [von Kienlin, A.; Rau, A.; Zhang, X.] MPE, D-85748 Garching, Germany. [Savchenko, V.] Observ Paris, F-75205 Paris 13, France. RP Chakraborti, S (reprint author), Harvard Smithsonian Ctr Astrophys, Inst Theory & Computat, 60 Garden St, Cambridge, MA 02138 USA. EM schakraborti@fas.harvard.edu RI Hamuy, Mario/G-7541-2016; OI Frederiks, Dmitry/0000-0002-1153-6340; MacFadyen, Andrew/0000-0002-0106-9013; Margutti, Raffaella/0000-0003-4768-7586; Pian, Elena/0000-0001-8646-4858 FU Science and Technology Facilities Council [ST/L00061X/1] NR 36 TC 6 Z9 6 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 2015 VL 805 IS 2 AR 187 DI 10.1088/0004-637X/805/2/187 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CL1PG UT WOS:000356715400102 ER PT J AU Dawson, WA Jee, MJ Stroe, A Ng, YK Golovich, N Wittman, D Sobral, D Bruggen, M Rottgering, HJA van Weeren, RJ AF Dawson, William A. Jee, M. James Stroe, Andra Ng, Y. Karen Golovich, Nathan Wittman, David Sobral, David Brueggen, M. Roettgering, H. J. A. van Weeren, R. J. TI MC2: GALAXY IMAGING AND REDSHIFT ANALYSIS OF THE MERGING CLUSTER CIZA J2242.8+5301 SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: clusters: individual (CISA); galaxies: distances and redshifts ID HUBBLE-SPACE-TELESCOPE; DARK-MATTER; STAR-FORMATION; RICH CLUSTERS; LUMINOSITY FUNCTION; MASS-DISTRIBUTION; DATA REDUCTION; RADIO RELICS; BOW SHOCK; CD-GALAXY AB X- ray and radio observations of CIZA J2242.8+ 5301 suggest that it is a major cluster merger. Despite being well studied in the X- ray and radio, little has been presented on the cluster structure and dynamics inferred from its galaxy population. We carried out a deep ( i < 25) broadband imaging survey of the system with Subaru SuprimeCam ( g and i bands) and the Canada- France- Hawaii Telescope ( r band), as well as a comprehensive spectroscopic survey of the cluster area ( 505 redshifts) using Keck DEep Imaging Multi- Object Spectrograph. We use these data to perform a comprehensive galaxy/ redshift analysis of the system, which is the first step to a proper understanding of the geometry and dynamics of the merger, as well as using the merger to constrain self- interacting dark matter. We find that the system is dominated by two subclusters of comparable richness with a projected separation of 6'.9(-0.5)(+0.7) ( 1.3(-0.10)(+0.13) Mpc). We find that the north and south subclusters have similar redshifts of z approximate to 0.188 with a relative line- of- sight ( LOS) velocity difference of 69 +/- 190 km s(-1). We also find that north and south subclusters have velocity dispersions of 1160(-90)(+100) and 1080(-70)(+100) km s(-1), respectively. These correspond to masses of 16.1(-3.3)(+4.6) x 10(14) and 13.0(-2.5)(+4.0) x 10(14) M-circle dot, respectively. While velocity dispersion measurements of merging clusters can be biased, we believe the bias in this system to be minor due to the large projected separation and nearly plane- of- sky merger configuration. We also find that the cDs of the north and south subclusters are very near their subcluster centers, in both projection ( 55 and 85 kpc, respectively) and normalized LOS velocity (|Delta nu|/sigma(nu) = 0.43. +/- 0.13 and 0.21 +/- 0.12 for the north and south, respectively). CIZA J2242.8+ 5301 is a relatively clean dissociative cluster merger with near 1: 1 mass ratio, which makes it an ideal merger for studying mergerassociated physical phenomena. C1 [Dawson, William A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Jee, M. James; Golovich, Nathan; Wittman, David] Univ Calif Davis, Davis, CA 95616 USA. [Stroe, Andra; Sobral, David; Roettgering, H. J. A.] Leiden Univ, Leiden Observ, NL-2300 RA Leiden, Netherlands. [Sobral, David] Univ Lisbon, OAL, Inst Astrofis & Ciencias Espacao, PT-1349018 Tapada Da Ajuda, Portugal. [Sobral, David] Univ Lisbon, Ctr Astron & Astrophys, P-1349018 Lisbon, Portugal. [Brueggen, M.] Univ Hamburg, Hamburger Sternwarte, D-21029 Hamburg, Germany. [van Weeren, R. J.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. RP Dawson, WA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM dawson29@llnl.gov RI Sobral, David/C-7919-2014; OI Sobral, David/0000-0001-8823-4845; Wittman, David/0000-0002-0813-5888; van Weeren, Reinout/0000-0002-0587-1660 FU NWO; Netherlands Organisation for Scientific research (NWO) through a Veni fellowship, from FCT through an FCT Investigator Starting Grant [IF/01154/2012/CP0189/CT0010]; FCT [PEst-OE/FIS/UI2751/2014]; NASA through the Einstein Postdoctoral grant by the Chandra X-ray Center [PF2-130104, NAS8-03060]; Deutsche Forschungsgemeinschaft [FOR 1254, SFB 676]; U.S. DOE by LLNL [DE-AC52-07NA27344]; W. M. Keck Foundation; NSF [AST-0071048]; CARA (Keck Observatory); UCO/Lick Observatory; NSF Facilities and Infrastructure grant [ARI92-14621]; Center for Particle Astrophysics; [HST-GO-13343.01-A] FX We would like to thank the broader membership of the MC2 for their continual development of the science motivating this work, and which has been instrumental in the acquisition of the data used in this paper. We would like to thank Anja von der Linden for the initial recommendation to rotate the Subaru SuprimeCam instrument 90 degrees between exposures to better probe instrument systematics. Slight modifications to this strategy enabled us to reduce the effects of stellar bleeds and nearly double the number of detected objects. We would like to thank Cristbal Sifon Andalaft and the referee for suggestions regarding additional substructure tests. We would also like to thank the referee for suggesting added discussion of the subcluster-BCG offsets. We also would like to thank Michael Schneider for valuable feedback regarding the presentation of the current work. M.J.J., D.W., and W.D. acknowledge support from HST-GO-13343.01-A. A.S. acknowledges financial support from NWO. D.S. acknowledges financial support from the Netherlands Organisation for Scientific research (NWO) through a Veni fellowship, from FCT through an FCT Investigator Starting Grant and Start-up Grant (IF/01154/2012/CP0189/CT0010), and from FCT grant PEst-OE/FIS/UI2751/2014. R.W. is supported by NASA through the Einstein Postdoctoral grant number PF2-130104 awarded by the Chandra X-ray Center, which is operated by the Smithsonian Astrophysical Observatory for NASA under contract NAS8-03060. M.B. acknowledges support by the research group FOR 1254 funded by the Deutsche Forschungsgemeinschaft. M.B. acknowledges funding from the Deutsche Forschungsgemeinschaft under SFB 676. Part of this work was performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. This research has made use of NASA's Astrophysics Data System. The William Herschel Telescope and Isaac Newton Telescope are operated on the island of La Palma by the Isaac Newton Group in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation. Funding for the DEEP2/DEIMOS pipelines has been provided by NSF grant AST-0071048. The DEIMOS spectrograph was funded by grants from CARA (Keck Observatory) and UCO/Lick Observatory, an NSF Facilities and Infrastructure grant (ARI92-14621), the Center for Particle Astrophysics, and gifts from Sun Microsystems and the Quantum Corporation. NR 61 TC 7 Z9 7 U1 1 U2 1 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 2015 VL 805 IS 2 AR 143 DI 10.1088/0004-637X/805/2/143 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CL1PG UT WOS:000356715400058 ER PT J AU Deng, W Li, H Zhang, B Li, ST AF Deng, Wei Li, Hui Zhang, Bing Li, Shengtai TI RELATIVISTIC MHD SIMULATIONS OF COLLISION-INDUCED MAGNETIC DISSIPATION IN POYNTING-FLUX-DOMINATED JETS/OUTFLOWS SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: jets; gamma-ray burst: general; magnetic fields; magnetic reconnection; magnetohydrodynamics (MHD); methods: numerical ID GAMMA-RAY BURSTS; POWER-DENSITY SPECTRA; EMISSION LIGHT CURVES; INTERNAL SHOCK MODEL; PROMPT EMISSION; MAGNETOHYDRODYNAMIC SIMULATIONS; OPTICAL-EMISSION; TEV VARIABILITY; CENTRAL ENGINE; EPISODIC JETS AB We perform 3D relativistic ideal magnetohydrodynamics (MHD) simulations to study the collisions between high-sigma (Poynting-flux-dominated (PFD)) blobs which contain both poloidal and toroidal magnetic field components. This is meant to mimic the interactions inside a highly variable PFD jet. We discover a significant electromagnetic field (EMF) energy dissipation with an Alfvenic rate with the efficiency around 35%. Detailed analyses show that this dissipation is mostly facilitated by the collision-induced magnetic reconnection. Additional resolution and parameter studies show a robust result that the relative EMF energy dissipation efficiency is nearly independent of the numerical resolution or most physical parameters in the relevant parameter range. The reconnection outflows in our simulation can potentially form the multi-orientation relativistic mini jets as needed for several analytical models. We also find a linear relationship between the sigma values before and after the major EMF energy dissipation process. Our results give support to the proposed astrophysical models that invoke significant magnetic energy dissipation in PFD jets, such as the internal collision-induced magnetic reconnection and turbulence model for gamma-ray bursts, and reconnection triggered mini jets model for active galactic nuclei. The simulation movies are shown in http://www.physics.unlv.edu/similar to deng/simulation1.html. C1 [Deng, Wei; Zhang, Bing] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. [Deng, Wei; Li, Hui; Li, Shengtai] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Deng, W (reprint author), Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. EM deng@physics.unlv.edu; hli@lanl.gov; zhang@physics.unlv.edu; sli@lanl.gov OI Li, Shengtai/0000-0002-4142-3080 FU LANL/LDRD program; Institutional Computing Programs at LANL; DOE/Office of Fusion Energy Science through CMSO; NASA [NNX15AK85G, NNX14AF85G] FX This work is supported by the LANL/LDRD program and Institutional Computing Programs at LANL and by DOE/Office of Fusion Energy Science through CMSO, and by NASA through grants NNX15AK85G and NNX14AF85G funded to UNLV. We thank helpful discussion and suggestions from Fan Guo, Xiaoyue Guan, Jim Stone, Feng Yuan, and Donald Lamb. NR 59 TC 13 Z9 13 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 2015 VL 805 IS 2 AR 163 DI 10.1088/0004-637X/805/2/163 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CL1PG UT WOS:000356715400078 ER PT J AU Steefel, CI Yabusaki, SB Mayer, KU AF Steefel, Carl I. Yabusaki, Steven B. Mayer, K. Ulrich TI Reactive transport benchmarks for subsurface environmental simulation SO COMPUTATIONAL GEOSCIENCES LA English DT Editorial Material C1 [Steefel, Carl I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Yabusaki, Steven B.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Mayer, K. Ulrich] Univ British Columbia, Dept Earth Ocean & Atmospher Sci, Vancouver, BC V5Z 1M9, Canada. RP Steefel, CI (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM CISteefel@lbl.gov RI Steefel, Carl/B-7758-2010; OI Mayer, K. Ulrich/0000-0002-4168-781X NR 18 TC 4 Z9 4 U1 4 U2 19 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD JUN PY 2015 VL 19 IS 3 SI SI BP 439 EP 443 DI 10.1007/s10596-015-9499-2 PG 5 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CL3VJ UT WOS:000356878900001 ER PT J AU Steefel, CI Appelo, CAJ Arora, B Jacques, D Kalbacher, T Kolditz, O Lagneau, V Lichtner, PC Mayer, KU Meeussen, JCL Molins, S Moulton, D Shao, H Simunek, J Spycher, N Yabusaki, SB Yeh, GT AF Steefel, C. I. Appelo, C. A. J. Arora, B. Jacques, D. Kalbacher, T. Kolditz, O. Lagneau, V. Lichtner, P. C. Mayer, K. U. Meeussen, J. C. L. Molins, S. Moulton, D. Shao, H. Simunek, J. Spycher, N. Yabusaki, S. B. Yeh, G. T. TI Reactive transport codes for subsurface environmental simulation SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Reactive transport; Modeling; Environmental simulation; Computer software; Code benchmark ID VARIABLY SATURATED FLOW; DYNAMIC LEACHING TESTS; FLUID-ROCK INTERACTION; POROUS-MEDIA; CHEMICAL-REACTIONS; CO2 SEQUESTRATION; BIOGEOCHEMICAL PROCESSES; GEOCHEMICAL SPECIATION; PREFERENTIAL FLOW; HETEROGENEOUS AQUIFERS AB A general description of the mathematical and numerical formulations used in modern numerical reactive transport codes relevant for subsurface environmental simulations is presented. The formulations are followed by short descriptions of commonly used and available subsurface simulators that consider continuum representations of flow, transport, and reactions in porous media. These formulations are applicable to most of the subsurface environmental benchmark problems included in this special issue. The list of codes described briefly here includes PHREEQC, HPx, PHT3D, OpenGeoSys (OGS), HYTEC, ORCHESTRA, TOUGHREACT, eSTOMP, HYDROGEOCHEM, CrunchFlow, MIN3P, and PFLOTRAN. The descriptions include a high-level list of capabilities for each of the codes, along with a selective list of applications that highlight their capabilities and historical development. C1 [Steefel, C. I.; Arora, B.; Molins, S.; Spycher, N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Jacques, D.] Belgian Nucl Res Ctr, Inst Environm Hlth & Safety, Mol, Belgium. [Kalbacher, T.; Kolditz, O.; Shao, H.] Helmholtz Ctr Environm Res, Dept Environm Informat, Leipzig, Germany. [Lagneau, V.] Univ Fontainebleau, Ctr Geosci, F-77305 Fontainebleau, France. [Lichtner, P. C.] Lichtner OFM Res, Santa Fe, NM USA. [Mayer, K. U.] Univ British Columbia, Earth & Ocean Sci, Vancouver, BC V5Z 1M9, Canada. [Meeussen, J. C. L.] Wageningen Univ, WU Environm Sci, NL-6700 AP Wageningen, Netherlands. [Moulton, D.] Los Alamos Natl Lab, Math Modeling & Anal, Los Alamos, NM USA. [Simunek, J.] Univ Calif Riverside, Dept Environm Sci, Riverside, CA 92521 USA. [Yabusaki, S. B.] Pacific NW Natl Lab, Earth Syst Sci Div, Richland, WA 99352 USA. [Yeh, G. T.] Natl Cent Univ, Jhongli, Taiwan. RP Steefel, CI (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM CISteefel@lbl.gov; appt@hydrochemistry.eu RI Molins, Sergi/A-9097-2012; Steefel, Carl/B-7758-2010; Jacques, Diederik/C-5887-2009; Shao, Haibing/C-3466-2015; Spycher, Nicolas/E-6899-2010; Arora, Bhavna/D-2293-2015; Kalbacher, Thomas/C-9336-2017; OI Molins, Sergi/0000-0001-7675-3218; Shao, Haibing/0000-0002-9214-8349; Arora, Bhavna/0000-0001-7841-886X; Kalbacher, Thomas/0000-0002-7866-5702; Jacques, Diederik/0000-0001-9393-2963; Mayer, K. Ulrich/0000-0002-4168-781X NR 225 TC 47 Z9 47 U1 33 U2 125 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD JUN PY 2015 VL 19 IS 3 SI SI BP 445 EP 478 DI 10.1007/s10596-014-9443-x PG 34 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CL3VJ UT WOS:000356878900002 ER PT J AU Molins, S Greskowiak, J Wanner, C Mayer, KU AF Molins, Sergi Greskowiak, Janek Wanner, Christoph Mayer, K. Ulrich TI A benchmark for microbially mediated chromium reduction under denitrifying conditions in a biostimulation column experiment SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Reactive transport modeling; Microbially mediated reduction; Denitrification; Chromium reduction; Biomass; Benchmark ID URANIUM BIOREMEDIATION; HYDROTHERMAL SYSTEMS; REACTIVE TRANSPORT; SULFATE REDUCTION; POROUS-MEDIA; GROUNDWATER; FLOW; ACCUMULATION; SCHEMES; CR(VI) AB Bioremediation efforts in aquifers contaminated with redox-sensitive contaminants often rely on in situ reductive immobilization. The bioremediation treatment usually involves injection of organic carbon into the subsurface (e.g., acetate) to stimulate the growth of indigenous bacteria that mediate the relevant redox processes that immobilize the target contaminant. Batch and flow-through column experimental studies are conducted to elucidate reaction networks associated with specific electron acceptor pathways and/or specific bacterial isolates. The proposed benchmark involves the simulation of microbially mediated chromium reduction under denitrifying conditions in biostimulated batch and flow-through column experiments. Simulated reactive processes include multicomponent aqueous complexation, kinetically controlled mineral precipitation and dissolution, biologically mediated reactions, and biomass growth and decay. The focus of the benchmark problem set is on the simulation of microbially mediated redox reactions with the explicit inclusion of the microbial community dynamics and the impacts on reaction rates. Rate expressions for microbially mediated redox reactions include kinetic limitations (Monod and inhibition terms) as well as thermodynamic limitations. Both catabolic (energy) and anabolic pathways (biomass growth) are considered in the microbially mediated reactions. Microbial biomass is assumed to be bound to the sediment (non-planktonic). Any reactive transport model used to reproduce results of this benchmark problem must be capable of simulating multicomponent aqueous complexation, kinetically controlled mineral precipitation and dissolution and kinetically controlled aqueous reactions. Though convenient, it is not necessary to allow for specific stoichiometric relationships for catabolic and anabolic pathways; only the overall reaction stoichiometry is used. Rate expressions for microbially mediated reaction must include a rate constant, the biomass concentration, and a number of Monod and inhibition terms. To ensure that the results presented in this paper were the correct solutions to the problems posed, the general-purpose reactive transport codes CrunchFlow, PHT3D, ToughReact, and MIN3P were used to perform the simulations. In general, results obtained with all codes show excellent agreement. C1 [Molins, Sergi; Wanner, Christoph] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Greskowiak, Janek] Carl von Ossietzky Univ Oldenburg, Dept Biol & Environm Sci, D-26111 Oldenburg, Germany. [Mayer, K. Ulrich] Univ British Columbia, Dept Earth Ocean & Atmospher Sci, Vancouver, BC V5Z 1M9, Canada. RP Molins, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, One Cyclotron Rd,MS 74R316C, Berkeley, CA 94720 USA. EM smolins@lbl.gov; janek.greskowiak@uni-oldenburg.de; cwanner@lbl.gov; umayer@eos.ubc.ca RI Molins, Sergi/A-9097-2012; Greskowiak, Janek/F-4198-2012; OI Molins, Sergi/0000-0001-7675-3218; Wanner, Christoph/0000-0003-3488-8602; Mayer, K. Ulrich/0000-0002-4168-781X FU Subsurface Science Scientific Focus Area - U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; Natural Sciences and Engineering Research Council (NSERC) of Canada through a Discovery Grant (DG); Natural Sciences and Engineering Research Council (NSERC) of Canada through a Discovery Accelerator Supplement (DAS) Award FX This work was supported as part of the Subsurface Science Scientific Focus Area funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research under Award Number DE-AC02-05CH11231 (S.M. and C.W.). Funding for this research was also provided by the Natural Sciences and Engineering Research Council (NSERC) of Canada through a Discovery Grant (DG) and a Discovery Accelerator Supplement (DAS) Award held by K. U. Mayer. NR 29 TC 1 Z9 1 U1 1 U2 16 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD JUN PY 2015 VL 19 IS 3 SI SI BP 479 EP 496 DI 10.1007/s10596-014-9432-0 PG 18 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CL3VJ UT WOS:000356878900003 ER PT J AU Wanner, C Druhan, JL Amos, RT Alt-Epping, P Steefel, CI AF Wanner, Christoph Druhan, Jennifer L. Amos, Richard T. Alt-Epping, Peter Steefel, Carl I. TI Benchmarking the simulation of Cr isotope fractionation SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Reactive transport modeling; Benchmark; Cr reduction; Cr isotopes; Remediation ID PERMEABLE REACTIVE BARRIER; CHROMATE-CONTAMINATED SITE; HEXAVALENT CHROMIUM; CR(VI) REDUCTION; THERMODYNAMIC PROPERTIES; SOUTHERN SWITZERLAND; RAYLEIGH EQUATION; STABLE-ISOTOPES; MOJAVE DESERT; TRANSPORT AB A benchmark problem set consisting of four problem levels was developed for the simulation of Cr isotope fractionation in 1D and 2D domains. The benchmark is based on a recent field study where Cr(VI) reduction and accompanying Cr isotope fractionation occurs abiotically by an aqueous reaction with dissolved Fe (2+) (Wanner et al., 2012., Appl. Geochem., 27, 644-662). The problem set includes simulation of the major processes affecting the Cr isotopic composition such as the dissolution of various Cr(VI) bearing minerals, fractionation during abiotic aqueous Cr(VI) reduction, and non-fractionating precipitation of Cr(III) as sparingly soluble Cr-hydroxide. Accuracy of the presented solutions was ensured by running the problems with four well-established reactive transport modeling codes: TOUGHREACT, MIN3P, CRUNCHFLOW, and FLOTRAN. Results were also compared with an analytical Rayleigh-type fractionation model. An additional constraint on the correctness of the results was obtained by comparing output from the problem levels simulating Cr isotope fractionation with the corresponding ones only simulating bulk concentrations. For all problem levels, model to model comparisons showed excellent agreement, suggesting that for the tested geochemical processes any code is capable of accurately simulating the fate of individual Cr isotopes. C1 [Wanner, Christoph; Steefel, Carl I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Druhan, Jennifer L.] Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. [Amos, Richard T.] Univ Waterloo, Dept Earth & Environm Sci, Waterloo, ON N2L 3G1, Canada. [Alt-Epping, Peter] Univ Bern, Inst Geol Sci, Bern, Switzerland. RP Wanner, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM cwanner@lbl.gov RI Steefel, Carl/B-7758-2010; OI Wanner, Christoph/0000-0003-3488-8602 FU Subsurface Science Scientific Focus Area - U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; National Science Foundation Division of Earth Sciences Postdoctoral Fellowship [EAR-1144763]; Ontario Research Foundation - Research Excellence Award FX CW was supported by the Subsurface Science Scientific Focus Area funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research under award number DE-AC02-05CH11231. JD's contribution was funded through a National Science Foundation Division of Earth Sciences Postdoctoral Fellowship under contract number EAR-1144763. RA was funded through an Ontario Research Foundation - Research Excellence Award. NR 57 TC 5 Z9 5 U1 6 U2 32 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD JUN PY 2015 VL 19 IS 3 SI SI BP 497 EP 521 DI 10.1007/s10596-014-9436-9 PG 25 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CL3VJ UT WOS:000356878900004 ER PT J AU Rasouli, P Steefel, CI Mayer, KU Rolle, M AF Rasouli, Pejman Steefel, Carl I. Mayer, K. Ulrich Rolle, Massimo TI Benchmarks for multicomponent diffusion and electrochemical migration SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Reactive transport modeling; Multicomponent diffusion; Electromigration; Model intercomparison; Benchmark ID REACTIVE TRANSPORT; IONIC DISPERSION; MODEL; PORE; ELECTROLYTES; SCALE; SEDIMENTS; AQUIFER; FLUXES; ROCK AB In multicomponent electrolyte solutions, the tendency of ions to diffuse at different rates results in a charge imbalance that is counteracted by the electrostatic coupling between charged species leading to a process called "electrochemical migration" or "electromigration." Although not commonly considered in solute transport problems, electromigration can strongly affect mass transport processes. The number of reactive transport models that consider electromigration has been growing in recent years, but a direct model intercomparison that specifically focuses on the role of electromigration has not been published to date. This contribution provides a set of three benchmark problems that demonstrate the effect of electric coupling during multicomponent diffusion and electrochemical migration and at the same time facilitate the intercomparison of solutions from existing reactive transport codes. The first benchmark focuses on the 1D transient diffusion of HNO3 (pH = 4) in a NaCl solution into a fixed concentration reservoir, also containing NaCl-but with lower HNO3 concentrations (pH = 6). The second benchmark describes the 1D steady-state migration of the sodium isotope Na-22 triggered by sodium chloride diffusion in neutral pH water. The third benchmark presents a flow-through problem in which transverse dispersion is significantly affected by electromigration. The system is described by 1D transient and 2D steady-state models. Very good agreement on all of the benchmarks was obtained with the three reactive transport codes used: CrunchFlow, MIN3P, and PHREEQC. C1 [Rasouli, Pejman; Mayer, K. Ulrich] Univ British Columbia, Dept Earth Ocean & Atmospher Sci, Vancouver, BC V6T 1Z4, Canada. [Steefel, Carl I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Rolle, Massimo] Tech Univ Denmark, Dept Environm Engn, DK-2800 Lyngby, Denmark. RP Rasouli, P (reprint author), Univ British Columbia, Dept Earth Ocean & Atmospher Sci, 2207 Main Mall, Vancouver, BC V6T 1Z4, Canada. EM prasouli@eos.ubc.ca RI Steefel, Carl/B-7758-2010; Rolle, Massimo/A-7645-2015; OI Rolle, Massimo/0000-0001-8833-8951; Mayer, K. Ulrich/0000-0002-4168-781X FU Natural Sciences and Engineering Research Council of Canada (NSERC); Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; Baden-Wurttemberg Stiftung under the Elite program for postdocs FX Funding for this research was provided by the Natural Sciences and Engineering Research Council of Canada (NSERC) in the form of a Discovery Grant and a Discovery Accelerator Supplement Award held by K. Ulrich Mayer. The contribution of C. Steefel was supported by the Director, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. M. Rolle acknowledges the support of the Baden-Wurttemberg Stiftung under the Elite program for postdocs. NR 46 TC 4 Z9 4 U1 8 U2 30 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD JUN PY 2015 VL 19 IS 3 SI SI BP 523 EP 533 DI 10.1007/s10596-015-9481-z PG 11 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CL3VJ UT WOS:000356878900005 ER PT J AU Alt-Epping, P Tournassat, C Rasouli, P Steefel, CI Mayer, KU Jenni, A Mader, U Sengor, SS Fernandez, R AF Alt-Epping, P. Tournassat, C. Rasouli, P. Steefel, C. I. Mayer, K. U. Jenni, A. Maeder, U. Sengor, S. S. Fernandez, R. TI Benchmark reactive transport simulations of a column experiment in compacted bentonite with multispecies diffusion and explicit treatment of electrostatic effects SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Bentonite clay; Reactive transport; Electrical double layer ID SATURATED MX-80 BENTONITE; ANION-EXCLUSION; CLAY AB Bentonite clay is considered as a potential buffer and backfill material in subsurface repositories for high-level nuclear waste. As a result of its low permeability, transport of water and solutes in compacted bentonite is driven primarily by diffusion. Developing models for species transport in bentonite is complicated, because of the interaction of charged species and the negative surface charge of clay mineral surfaces. The effective diffusion coefficient of an ion in bentonite depends on the ion's polarity and valence, on the ionic strength of the solution, and on the bulk dry density of the bentonite. These dependencies need to be understood and incorporated into models if one wants to predict the effectiveness of bentonite as a barrier to radionuclides in a nuclear repository. In this work, we present a benchmark problem for reactive transport simulators based on a flow-through experiment carried out on a saturated bentonite core. The measured effluent composition shows the complex interplay of species transport in a charged medium in combination with sorption and mineral precipitation/dissolution reactions. The codes compared in this study are PHREEQC, CrunchFlow, FLOTRAN, and MIN3P. The benchmark problem is divided into four component problems of increasing complexity, leading up to the main problem which addresses the effects of advective and diffusive transport of ions through bentonite with explicit treatment of electrostatic effects. All codes show excellent agreement between results provided that the activity model, Debye-Huckel parameters, and thermodynamic data used in the simulations are consistent. A comparison of results using species-specific diffusion and uniform species diffusion reveals that simulated species concentrations in the effluent differ by less than 8 %, and that these differences vanish as the system approaches steady state. C1 [Alt-Epping, P.; Jenni, A.; Maeder, U.] Univ Bern, Inst Geol Sci, Rock Water Interact Grp, CH-3012 Bern, Switzerland. [Tournassat, C.] Bur Rech Geol & Minieres, F-45060 Orleans 2, France. [Rasouli, P.; Mayer, K. U.] Univ British Columbia, Dept Earth & Ocean Sci, Vancouver, BC V5Z 1M9, Canada. [Steefel, C. I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Sengor, S. S.] So Methodist Univ, Dallas, TX 75275 USA. [Fernandez, R.] Univ Autonoma Madrid, Fac Ciencias, Dept Geol & Geoquim, E-28049 Madrid, Spain. RP Alt-Epping, P (reprint author), Univ Bern, Inst Geol Sci, Rock Water Interact Grp, Baltzerstr 3, CH-3012 Bern, Switzerland. EM alt-epping@geo.unibe.ch RI Steefel, Carl/B-7758-2010; OI Jenni, Andreas/0000-0001-7362-5691; Mayer, K. Ulrich/0000-0002-4168-781X NR 22 TC 4 Z9 4 U1 3 U2 23 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD JUN PY 2015 VL 19 IS 3 SI SI BP 535 EP 550 DI 10.1007/s10596-014-9451-x PG 16 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CL3VJ UT WOS:000356878900006 ER PT J AU Yabusaki, SB Sengor, SS Fang, YL AF Yabusaki, Steven B. Sengoer, Sevinc S. Fang, Yilin TI A uranium bioremediation reactive transport benchmark SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Reactive transport modeling; Bioremediation; Uranium; Benchmark ID REDUCTION; GROUNDWATER; SULFATE; AQUIFER AB A reactive transport benchmark problem set has been developed based on in situ uranium bio-immobilization experiments that have been performed at a former uranium mill tailing site in Rifle, CO, USA. Acetate-amended groundwater stimulates indigenous microorganisms to catalyze the reduction of U(VI) to a sparingly soluble U(IV) mineral. The interplay between the flow, acetate loading periods and rates, and microbially mediated and geochemical reactions leads to dynamic behavior in metal- and sulfate-reducing bacteria, pH, alkalinity, and reactive mineral surfaces. The benchmark is based on an 8.5 m long one-dimensional model domain with constant saturated flow and uniform porosity. The 159-day simulation introduces acetate and bromide through the upgradient boundary in 14- and 85-day pulses separated by a 10 day interruption. Acetate loading is tripled during the second pulse, which is followed by a 50 day recovery period. Terminal electron-accepting processes for goethite, phyllosilicate Fe(III), U(VI), and sulfate are modeled using Monod-type rate laws. Major ion geochemistry modeled includes mineral reactions as well as aqueous and surface complexation reactions for UO, Fe2+, and H+. In addition to the dynamics imparted by the transport of the acetate pulses, U(VI) behavior involves the interplay between bioreduction, which is dependent on acetate availability, and speciation-controlled surface complexation, which is dependent on pH, alkalinity, and available surface complexation sites. The general difficulty of this benchmark is the large number of reactions (74), multiple rate law formulations, a multisite uranium surface complexation model, and the strong interdependency and sensitivity of the reaction processes. Results are presented for three simulators: HYDROGEOCHEM, PHT3D, and PHREEQC. C1 [Yabusaki, Steven B.; Fang, Yilin] Pacific NW Natl Lab, Richland, WA 99352 USA. [Sengoer, Sevinc S.] So Methodist Univ, Dallas, TX 75275 USA. RP Yabusaki, SB (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yabusaki@pnnl.gov RI Fang, Yilin/J-5137-2015 FU United States Department of Energy [DE-AC05-76RL01830]; Genomes to Watershed Scientific Focus Area at Lawrence Berkeley National Laboratory - U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX A portion of the work described in this article was performed at Pacific Northwest National Laboratory, which is operated by Battelle for the United States Department of Energy under Contract DE-AC05-76RL01830. This material is based in part upon work supported as part of the Genomes to Watershed Scientific Focus Area at Lawrence Berkeley National Laboratory funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research under Award Number DE-AC02-05CH11231. The authors would like to thank the guest editor K.U. Mayer and two anonymous reviewers for their helpful comments. NR 22 TC 2 Z9 2 U1 6 U2 21 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD JUN PY 2015 VL 19 IS 3 SI SI BP 551 EP 567 DI 10.1007/s10596-015-9474-y PG 17 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CL3VJ UT WOS:000356878900007 ER PT J AU Sengor, SS Mayer, KU Greskowiak, J Wanner, C Su, DY Prommer, H AF Sengoer, S. Sevin Mayer, K. Ulrich Greskowiak, Janek Wanner, Christoph Su, Danyang Prommer, Henning TI A reactive transport benchmark on modeling biogenic uraninite re-oxidation by Fe(III)-(hydr)oxides SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Reactive transport benchmark; Uranium; Bioremediation; Reoxidation; Numerical dispersion ID URANIUM; REDUCTION; GROUNDWATER; AQUIFER AB A reactive transport benchmark on uranium (U) bioreduction and concomitant reoxidation has been developed based on the multicomponent biogeochemical reaction network presented by Spycher et al. (Geochim Cosmochim Acta 75:4426-4440, 2011). The benchmark problem consists of a model inter-comparison starting with the numerical simulations of the original batch experiments of Sani et al. (Geochim Cosmochim Acta 68:2639-2648, 2004). The batch model is then extended to 1D and 2D reactive transport models, designed to evaluate the model results for the key biogeochemical reaction processes and their coupling with physical transport. Simulations are performed with four different reactive transport simulators: PHREEQC, PHT3D, MIN3P, and TOUGHREACT. All of the simulators are able to capture the complex biogeochemical reaction kinetics and the coupling between transport and kinetic reaction network successfully in the same manner. For the dispersion-free variant of the problem, a 1D-reference solution was obtained by PHREEQC, which is not affected by numerical dispersion. PHT3D using the sequential non-iterative approach (SNIA) with an explicit TVD scheme and MIN3P using the global implicit method (GIM) with an implicit van Leer flux limiter provided the closest approximation to the PHREEQC results. Since the spatial weighting schemes for the advection term and numerical dispersion played an important role for the accuracy of the results, the simulators were further compared using different solution schemes. When all codes used the same spatial weighting scheme with finite-difference approximation, the simulation results agreed very well among all four codes. The model intercomparison for the 2D-case demonstrated a high level of sensitivity to the mixing of different waters at the dispersive front. Therefore this benchmark problem is well-suited to assess code performance for mixing-controlled reactive transport models in conjunction with complex reaction kinetics. C1 [Sengoer, S. Sevin] So Methodist Univ, Civil & Environm Engn Dept, Dallas, TX 75275 USA. [Mayer, K. Ulrich; Su, Danyang] Univ British Columbia, Dept Earth Ocean & Atmospher Sci, Vancouver, BC V5Z 1M9, Canada. [Greskowiak, Janek] Carl von Ossietzky Univ Oldenburg, Dept Biol & Environm Sci, D-26111 Oldenburg, Germany. [Wanner, Christoph] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Prommer, Henning] CSIRO Land & Water, Wembley, WA 6913, Australia. [Prommer, Henning] Univ Western Australia, Sch Earth & Environm, Crawley, WA, Australia. [Prommer, Henning] Flinders Univ S Australia, Natl Ctr Groundwater Res & Training NCGRT, Adelaide, SA 5001, Australia. RP Sengor, SS (reprint author), So Methodist Univ, Civil & Environm Engn Dept, Dallas, TX 75275 USA. EM sssengor@gmail.com RI Prommer, Henning/A-4555-2008; Greskowiak, Janek/F-4198-2012; OI Prommer, Henning/0000-0002-8669-8184; Wanner, Christoph/0000-0003-3488-8602; Mayer, K. Ulrich/0000-0002-4168-781X NR 23 TC 1 Z9 1 U1 5 U2 21 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD JUN PY 2015 VL 19 IS 3 SI SI BP 569 EP 583 DI 10.1007/s10596-015-9480-0 PG 15 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CL3VJ UT WOS:000356878900008 ER PT J AU Mayer, KU Alt-Epping, P Jacques, D Arora, B Steefel, CI AF Mayer, K. Ulrich Alt-Epping, Peter Jacques, Diederik Arora, Bhavna Steefel, Carl I. TI Benchmark problems for reactive transport modeling of the generation and attenuation of acid rock drainage SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Reactive transport modeling; Model intercomparison; Benchmark; Acid rock drainage ID VARIABLY SATURATED FLOW; MINE DRAINAGE; POROUS-MEDIA; FORMULATION; GROUNDWATER; SIMULATION; OXIDATION; DUMPS; PILES AB Acid rock drainage (ARD) is a problem of international relevance with substantial environmental and economic implications. Reactive transport modeling has proven a powerful tool for the process-based assessment of metal release and attenuation at ARD sites. Although a variety of models has been used to investigate ARD, a systematic model intercomparison has not been conducted to date. This contribution presents such a model intercomparison involving three synthetic benchmark problems designed to evaluate model results for the most relevant processes at ARD sites. The first benchmark (ARD-B1) focuses on the oxidation of sulfide minerals in an unsaturated tailing impoundment, affected by the ingress of atmospheric oxygen. ARD-B2 extends the first problem to include pH buffering by primary mineral dissolution and secondary mineral precipitation. The third problem (ARD-B3) in addition considers the kinetic and pH-dependent dissolution of silicate minerals under low pH conditions. The set of benchmarks was solved by four reactive transport codes, namely CrunchFlow, Flotran, HP1, and MIN3P. The results comparison focused on spatial profiles of dissolved concentrations, pH and pE, pore gas composition, and mineral assemblages. In addition, results of transient profiles for selected elements and cumulative mass loadings were considered in the intercomparison. Despite substantial differences in model formulations, very good agreement was obtained between the various codes. Residual deviations between the results are analyzed and discussed in terms of their implications for capturing system evolution and long-term mass loading predictions. C1 [Mayer, K. Ulrich] Univ British Columbia, Dept Earth Ocean & Atmospher Sci, 2207 Main Mall, Vancouver, BC V6T 1Z4, Canada. [Alt-Epping, Peter] Univ Bern, Inst Geol Sci, Rock Water Interact Grp, CH-3012 Bern, Switzerland. [Jacques, Diederik] CEN SCK, Belgian Nucl Res Ctr, B-2400 Mol, Belgium. [Arora, Bhavna; Steefel, Carl I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Mayer, KU (reprint author), Univ British Columbia, Dept Earth Ocean & Atmospher Sci, 2207 Main Mall, Vancouver, BC V6T 1Z4, Canada. EM umayer@eos.ubc.ca RI Steefel, Carl/B-7758-2010; Jacques, Diederik/C-5887-2009; Arora, Bhavna/D-2293-2015; OI Arora, Bhavna/0000-0001-7841-886X; Jacques, Diederik/0000-0001-9393-2963; Mayer, K. Ulrich/0000-0002-4168-781X FU Natural Sciences and Engineering Research Council of Canada (NSERC) through a Discovery Grant (DG); Natural Sciences and Engineering Research Council of Canada (NSERC) through a Discovery Accelerator Supplement (DAS) Award; Subsurface Science Scientific Focus Area at Lawrence Berkeley National Laboratory - U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX The authors would like to thank the associate editor S.B. Yabusaki and two anonymous reviewers for their constructive comments. Financial support for this work was provided by the Natural Sciences and Engineering Research Council of Canada (NSERC) through a Discovery Grant (DG) and a Discovery Accelerator Supplement (DAS) Award held by K.U. Mayer. The work was also supported as part of the Subsurface Science Scientific Focus Area at Lawrence Berkeley National Laboratory funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research under Award Number DE-AC02-05CH11231. NR 36 TC 2 Z9 2 U1 3 U2 15 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD JUN PY 2015 VL 19 IS 3 SI SI BP 599 EP 611 DI 10.1007/s10596-015-9476-9 PG 13 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CL3VJ UT WOS:000356878900010 ER PT J AU Arora, B Sengor, SS Spycher, NF Steefel, CI AF Arora, Bhavna Sengoer, S. Sevinc Spycher, Nicolas F. Steefel, Carl I. TI A reactive transport benchmark on heavy metal cycling in lake sediments SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Reactive transport benchmark; Benthic sediments; Ferrihydrite dissolution; Sedimentation; Compaction ID TRACE-ELEMENT GEOCHEMISTRY; COEUR-DALENE LAKE; PHASE ASSOCIATIONS; MARINE-SEDIMENTS; ORGANIC-MATTER; RIVER WATER; IDAHO; IRON; DISSOLUTION; USA AB Sediments are active recipients of anthropogenic inputs, including heavy metals, but may be difficult to interpret without the use of numerical models that capture sediment-metal interactions and provide an accurate representation of the intricately coupled sedimentological, geochemical, and biological processes. The focus of this study is to present a benchmark problem on heavy metal cycling in lake sediments and to compare reactive transport models (RTMs) in their treatment of the local-scale physical and biogeochemical processes. This benchmark problem has been developed based on a previously published reactive-diffusive model of metal transport in the sediments of Lake Coeur d'Alene, Idaho. Key processes included in this model are microbial reductive dissolution of iron hydroxides (i.e., ferrihydrite), the release of sorbed metals into pore water, reaction of these metals with biogenic sulfide to form sulfide minerals, and sedimentation driving the burial of ferrihydrite and other minerals. This benchmark thus considers a multicomponent biotic reaction network with multiple terminal electron acceptors (TEAs), Fickian diffusive transport, kinetic and equilibrium mineral precipitation and dissolution, aqueous and surface complexation, as well as (optionally) sedimentation. To test the accuracy of the reactive transport problem solution, four RTMs-TOUGHREACT (TR), CrunchFlow (CF), PHREEQC, and PHT3D-have been used. Without sedimentation, all four models are able to predict similar trends of TEAs and dissolved metal concentrations, as well as mineral abundances. TR and CF are further used to compare sedimentation and compaction test cases. Results with different sedimentation rates are captured by both models, but since the codes do not use the same formulation for compaction, the results differ for this test case. Although, both TR and CF adequately capture the trends of aqueous concentrations and mineral abundances, the difference in results highlights the need to consider further the conceptual and numerical models that link transport, biogeochemical reactions, and sedimentation. C1 [Arora, Bhavna; Spycher, Nicolas F.; Steefel, Carl I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Sengoer, S. Sevinc] So Methodist Univ, Civil & Environm Engn Dept, Dallas, TX 75275 USA. RP Arora, B (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM barora@lbl.gov RI Steefel, Carl/B-7758-2010; Spycher, Nicolas/E-6899-2010; Arora, Bhavna/D-2293-2015 OI Arora, Bhavna/0000-0001-7841-886X FU U.S. Department of Energy, Office of Science, Biological and Environmental Research [DE-AC020SCH11231] FX This work was funded in part by the U.S. Department of Energy, Office of Science, Biological and Environmental Research, under contract DE-AC020SCH11231. Authors are thankful to Christophe Tournassat for pointing out details about PHREEQC, particularly about the use of this code with irregular grids. Authors also thank Sergi Molins for internal review of this paper, and two external reviewers for their valuable comments. NR 63 TC 5 Z9 6 U1 6 U2 27 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD JUN PY 2015 VL 19 IS 3 SI SI BP 613 EP 633 DI 10.1007/s10596-014-9445-8 PG 21 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CL3VJ UT WOS:000356878900011 ER PT J AU Marty, NCM Bildstein, O Blanc, P Claret, F Cochepin, B Gaucher, EC Jacques, D Lartigue, JE Liu, SH Mayer, KU Meeussen, JCL Munier, I Pointeau, I Su, DY Steefel, CI AF Marty, Nicolas C. M. Bildstein, Olivier Blanc, Philippe Claret, Francis Cochepin, Benoit Gaucher, Eric C. Jacques, Diederik Lartigue, Jean-Eric Liu, Sanheng Mayer, K. Ulrich Meeussen, Johannes C. L. Munier, Isabelle Pointeau, Ingmar Su, Danyang Steefel, Carl I. TI Benchmarks for multicomponent reactive transport across a cement/clay interface SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Benchmark; Cement; Callovian-Oxfordian claystone; TOUGHREACT; PHREEQC; CRUNCH; HYTEC; ORCHESTRA; MIN3P ID HYPERALKALINE FLUIDS; RADIOACTIVE-WASTE; WEATHERING RATES; BENTONITE; DIFFUSION; WATER; TEMPERATURE; MINERALS; DISPOSAL; BARRIER AB The use of the subsurface for CO2 storage, geothermal energy generation, and nuclear waste disposal will greatly increase the interaction between clay(stone) and concrete. The development of models describing the mineralogical transformations at this interface is complicated, because contrasting geochemical conditions (Eh, pH, solution composition, etc.) induce steep concentration gradients and a high mineral reactivity. Due to the complexity of the problem, analytical solutions are not available to verify code accuracy, rendering code intercomparisons as the most efficient method for assessing code capabilities and for building confidence in the used model. A benchmark problem was established for tackling this issue. We summarize three scenarios with increasing geochemical complexity in this paper. The processes considered in the simulations are diffusion-controlled transport in saturated media under isothermal conditions, cation exchange reactions, and both local equilibrium and kinetically controlled mineral dissolution-precipitation reactions. No update of the pore diffusion coefficient as a function of porosity changes was considered. Seven international teams participated in this benchmarking exercise. The reactive transport codes used (TOUGHREACT, PHREEQC, with two different ways of handling transport, CRUNCH, HYTEC, ORCHESTRA, MIN3P-THCm) gave very similar patterns in terms of predicted solute concentrations and mineral distributions. Some differences linked to the considered activity models were observed, but they do not bias the general system evolution. The benchmarking exercise thus demonstrates that a reactive transport modelling specification for long-term performance assessment can be consistently addressed by multiple simulators. C1 [Marty, Nicolas C. M.; Blanc, Philippe; Claret, Francis; Gaucher, Eric C.] Bur Rech Geol & Minieres, F-45060 Orleans, France. [Bildstein, Olivier; Lartigue, Jean-Eric; Pointeau, Ingmar] CEA, F-13108 St Paul Les Durance, France. [Cochepin, Benoit; Munier, Isabelle] ANDRA, F-92298 Chatenay Malabry, France. [Mayer, K. Ulrich; Su, Danyang] Univ British Columbia, Dept Earth Ocean & Atmospher Sci, Vancouver, BC V5Z 1M9, Canada. [Jacques, Diederik; Liu, Sanheng] CEN SCK, Belgian Nucl Res Ctr, B-2400 Mol, Belgium. [Meeussen, Johannes C. L.] Nucl Res & Consultancy Grp, NL-1755 ZG Petten, Netherlands. [Steefel, Carl I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Claret, F (reprint author), Bur Rech Geol & Minieres, F-45060 Orleans, France. EM f.claret@brgm.fr RI Steefel, Carl/B-7758-2010; Jacques, Diederik/C-5887-2009; OI Jacques, Diederik/0000-0001-9393-2963; Mayer, K. Ulrich/0000-0002-4168-781X; Gaucher, Eric C./0000-0002-7976-8455; Claret, Francis/0000-0002-6203-7795 NR 56 TC 3 Z9 3 U1 3 U2 22 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD JUN PY 2015 VL 19 IS 3 SI SI BP 635 EP 653 DI 10.1007/s10596-014-9463-6 PG 19 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CL3VJ UT WOS:000356878900012 ER PT J AU Xie, ML Mayer, KU Claret, F Alt-Epping, P Jacques, D Steefel, C Chiaberge, C Simunek, J AF Xie, Mingliang Mayer, K. Ulrich Claret, Francis Alt-Epping, Peter Jacques, Diederik Steefel, Carl Chiaberge, Christophe Simunek, Jiri TI Implementation and evaluation of permeability-porosity and tortuosity-porosity relationships linked to mineral dissolution-precipitation SO COMPUTATIONAL GEOSCIENCES LA English DT Article DE Permeability-porosity relationship; Tortuosity-porosity relationship; Mineral dissolution-precipitation; Benchmark; CrunchFlow; HP1; MIN3P; PFlotran; TOUGHREACT ID REACTIVE TRANSPORT; CHEMICAL-REACTIONS; SIMULATION; FORMULATION; MIGRATION; BENCHMARK; MEDIA; WELLS; WATER; FLOW AB Changes of porosity, permeability, and tortuosity due to physical and geochemical processes are of vital importance for a variety of hydrogeological systems, including passive treatment facilities for contaminated groundwater, engineered barrier systems (EBS), and host rocks for high-level nuclear waste (HLW) repositories. Due to the nonlinear nature and chemical complexity of the problem, in most cases, it is impossible to verify reactive transport codes analytically, and code intercomparisons are the most suitable method to assess code capabilities and model performance. This paper summarizes model intercomparisons for six hypothetical scenarios with generally increasing geochemical or physical complexity using the reactive transport codes CrunchFlow, HP1, MIN3P, PFlotran, and TOUGHREACT. Benchmark problems include the enhancement of porosity and permeability through mineral dissolution, as well as near complete clogging due to localized mineral precipitation, leading to reduction of permeability and tortuosity. Processes considered in the benchmark simulations are advective-dispersive transport in saturated media, kinetically controlled mineral dissolution-precipitation, and aqueous complexation. Porosity changes are induced by mineral dissolution-precipitation reactions, and the Carman-Kozeny relationship is used to describe changes in permeability as a function of porosity. Archie's law is used to update the tortuosity and the pore diffusion coefficient as a function of porosity. Results demonstrate that, generally, good agreement is reached amongst the computer models despite significant differences in model formulations. Some differences are observed, in particular for the more complex scenarios involving clogging; however, these differences do not affect the interpretation of system behavior and evolution. C1 [Xie, Mingliang; Mayer, K. Ulrich] Univ British Columbia, Dept Earth Ocean & Atmospher Sci, Vancouver, BC V5Z 1M9, Canada. [Claret, Francis; Chiaberge, Christophe] Bur Rech Geol & Minieres, F-45060 Orleans, France. [Alt-Epping, Peter] Univ Bern, Inst Geol Sci, Rock Water Interact Grp, CH-3012 Bern, Switzerland. [Jacques, Diederik] CEN SCK, Belgian Nucl Res Ctr, B-2400 Mol, Belgium. [Steefel, Carl] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Simunek, Jiri] Univ Calif Riverside, Riverside, CA 92521 USA. RP Xie, ML (reprint author), Univ British Columbia, Dept Earth Ocean & Atmospher Sci, Vancouver, BC V5Z 1M9, Canada. EM mxie@eos.ubc.ca RI Steefel, Carl/B-7758-2010; Jacques, Diederik/C-5887-2009; OI Jacques, Diederik/0000-0001-9393-2963; Mayer, K. Ulrich/0000-0002-4168-781X; Claret, Francis/0000-0002-6203-7795 FU Nuclear Waste Management Organization (NWMO); Natural Sciences and Engineering Research Council of Canada (NSERC); internal BRGM research project FX Financial support for this work was provided by the Nuclear Waste Management Organization (NWMO) and the Natural Sciences and Engineering Research Council of Canada (NSERC) through research grants held by K.U. Mayer. This research was also supported by an internal BRGM research project entitled PMME REP CODSPE2013. NR 29 TC 5 Z9 5 U1 9 U2 33 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1420-0597 EI 1573-1499 J9 COMPUTAT GEOSCI JI Comput. Geosci. PD JUN PY 2015 VL 19 IS 3 SI SI BP 655 EP 671 DI 10.1007/s10596-014-9458-3 PG 17 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA CL3VJ UT WOS:000356878900013 ER PT J AU Wang, XF Akhmedov, NG Duan, YH Li, BY AF Wang, Xianfeng Akhmedov, Novruz G. Duan, Yuhua Li, Bingyun TI Nuclear Magnetic Resonance Studies of CO2 Absorption and Desorption in Aqueous Sodium Salt of Alanine SO ENERGY & FUELS LA English DT Article ID AMINO-ACID SALTS; METAL-ORGANIC FRAMEWORK; CARBON-DIOXIDE CAPTURE; SOLID SORBENTS; C-13 NMR; SOLUBILITY; ABSORBENT; KINETICS; SYSTEMS; MODEL AB For the first time, speciation evolution in aqueous sodium salt of alanine (SSA), solution during both CO2 absorption and desorption has been investigated via nuclear magnetic resonance (NMR) spectroscopy. Results suggest that amine, carbamate, and bicarbonate are the main species formed in the solvent system. During CO2 absorption, deprotonated alanine (Ala) reacts with CO2 first to form carbamate, which subsequently hydrolyzes into bicarbonate. At higher CO2 loadings (similar to 0.6 mol/mol of Ala), it appears that bicarbonate is dominant Interestingly, the carbamate concentration in the SSA solution increases first and then decreases slightly during CO2 desorption, and the amount of carbamate after CO2 desorption is more than that at the end of the CO2 absorption, thus reducing the desorption efficiency. Furthermore, the species distributions have also been compared to those of the commercial monoethanolamine (MEA) absorbent, revealing that the main difference between SSA and MEA systems is the hydrolysis rate of carbamate. Determination of the species formed is a first step to understand the chemistry of the solvent system, which may facilitate developing more efficient and energy-saving solvents for CO2 capture and sequestration. C1 [Wang, Xianfeng; Li, Bingyun] W Virginia Univ, Biomat Bioengn & Nanotechnol Lab, Dept Orthopaed, Sch Med, Morgantown, WV 26506 USA. [Akhmedov, Novruz G.] W Virginia Univ, Dept Chem, Morgantown, WV 26506 USA. [Wang, Xianfeng] Donghua Univ, Engn Res Ctr Tech Text, Minist Educ, Coll Text, Shanghai 201620, Peoples R China. [Wang, Xianfeng; Li, Bingyun] RUA, NETL, Morgantown, WV 26506 USA. [Duan, Yuhua] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Li, BY (reprint author), W Virginia Univ, Biomat Bioengn & Nanotechnol Lab, Dept Orthopaed, Sch Med, Morgantown, WV 26506 USA. EM bili@hsc.wvu.edu FU Research and Engineering Services (RES) [FE0004000]; West Virginia National Aeronautics and Space Administration Experimental Program to Stimulate Competitive Research (WV NASA EPSCoR) FX As part of the NETL-RUA, a collaborative initiative of the U.S. Department of Energy (DOE) National Energy Technology Laboratory (NETL) with Carnegie Mellon University, the Pennsylvania State University, the University of Pittsburgh, Virginia Polytechnic Institute and State University, West Virginia University, and URS Corporation, this technical effort was performed under Research and Engineering Services (RES) contract DE-FE0004000. Support was also received from West Virginia National Aeronautics and Space Administration Experimental Program to Stimulate Competitive Research (WV NASA EPSCoR). The authors thank Suzanne Danley for proofreading. NR 35 TC 5 Z9 5 U1 6 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD JUN PY 2015 VL 29 IS 6 BP 3780 EP 3784 DI 10.1021/acs.energyfuels.5b00535 PG 5 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CL2DY UT WOS:000356755000032 ER PT J AU Krishnan, L Yeager, G Clark, K Kerr, J Soloveichik, G AF Krishnan, L. Yeager, G. Clark, K. Kerr, J. Soloveichik, G. TI Enhanced Fuel Cell Performance of Decalin Treated Nafion (R) Membranes (vol 15, pg 239, 2015) SO FUEL CELLS LA English DT Correction C1 [Krishnan, L.; Yeager, G.; Soloveichik, G.] GE Global Resarch, Niskayuna, NY 12309 USA. [Clark, K.; Kerr, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Krishnan, L (reprint author), GE Global Resarch, 1 Res Circle, Niskayuna, NY 12309 USA. NR 1 TC 0 Z9 0 U1 0 U2 0 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1615-6846 EI 1615-6854 J9 FUEL CELLS JI Fuel Cells PD JUN PY 2015 VL 15 IS 3 BP 549 EP 549 DI 10.1002/fuce.201590010 PG 1 WC Electrochemistry; Energy & Fuels SC Electrochemistry; Energy & Fuels GA CL0GU UT WOS:000356620300012 ER PT J AU Guo, XQ Wang, H Wu, PD Mao, XB AF Guo, X. Q. Wang, H. Wu, P. D. Mao, X. B. TI Analysis of Reversed Torsion of FCC Metals Using Polycrystal Plasticity Models SO INTERNATIONAL JOURNAL OF APPLIED MECHANICS LA English DT Article DE Crystal plasticity; reversed torsion; copper; swift effect; texture ID MAGNESIUM ALLOY AZ31B; CRYSTALLOGRAPHIC TEXTURE EVOLUTION; MECHANICAL-BEHAVIOR; CONSTITUTIVE MODEL; OVERSTRESS AFVBO; BASAL TEXTURE; END TORSION; DEFORMATION; STRAIN; SHEAR AB Large strain behavior of FCC polycrystals during reversed torsion are investigated through the special purpose finite element based on the classical Taylor model and the elastic-viscoplastic self-consistent (EVPSC) model with various Self-Consistent Schemes (SCSs). It is found that the response of both the fixed-end and free-end torsion is very sensitive to the constitutive models. The models are assessed through comparing their predictions to the corresponding experiments in terms of the stress and strain curves, the Swift effect and texture evolution. It is demonstrated that none of the models examined can precisely predict all the experimental results. However, more careful observation reveals that, among the models considered, the tangent model gives the worst overall performance. It is also demonstrated that the intensity of residual texture during reverse twisting is dependent on the amounts of pre-shear strain during forward twisting and the model used. C1 [Guo, X. Q.; Mao, X. B.] China Univ Min & Technol, State Key Lab Geomech & Deep Underground Engn, Xuzhou 221116, Jiangsu, Peoples R China. [Guo, X. Q.; Wang, H.; Wu, P. D.] McMaster Univ, Dept Mech Engn, Hamilton, ON L8S 4L7, Canada. [Wang, H.] Los Alamos Natl Lab, MST 8, Los Alamos, NM 87544 USA. RP Guo, XQ (reprint author), China Univ Min & Technol, State Key Lab Geomech & Deep Underground Engn, Xuzhou 221116, Jiangsu, Peoples R China. EM huamiaow@hotmail.com RI Wang, Huamiao/F-7693-2010; Wu, Peidong/A-7009-2008 OI Wang, Huamiao/0000-0002-7167-2483; FU Ontario Ministry of Research and Innovation; State Key Laboratory Fund of China [SKLGDUEK1102]; State Key Development Program for Basic Research of China [2013CB227900]; Joint Funds of the National Natural Science Foundation of China [U1261201]; China Council Scholarship [201206420031] FX This research was supported by the Ontario Ministry of Research and Innovation and the State Key Laboratory Fund of China (No. SKLGDUEK1102). X. Q. Guo acknowledges the support of the State Key Development Program for Basic Research of China (Grant No. 2013CB227900), the Joint Funds of the National Natural Science Foundation of China (Grant No. U1261201) and China Council Scholarship (No. 201206420031). NR 64 TC 2 Z9 2 U1 2 U2 16 PU IMPERIAL COLLEGE PRESS PI LONDON PA 57 SHELTON ST, COVENT GARDEN, LONDON WC2H 9HE, ENGLAND SN 1758-8251 EI 1758-826X J9 INT J APPL MECH JI Int. J. Appl. Mech. PD JUN PY 2015 VL 7 IS 3 AR 1550033 DI 10.1142/S1758825115500337 PG 20 WC Mechanics SC Mechanics GA CL5AT UT WOS:000356972300001 ER PT J AU Browning, C Nesterov, VN Wang, XP Omary, MA AF Browning, Charles Nesterov, Vladimir N. Wang, Xiaoping Omary, Mohammad A. TI Synthesis and Structural Features of [4,4 '-Diisopropoxyester-2,2 '-bipyridine],[Dichloro(4,4 '-diisopropoxyester-2,2 '-bi-pyridine)platinum(ii)] and Its Dichloromethane Solvated Pseudo-Polymorph: Versatile Supramolecular Interactions SO JOURNAL OF CHEMICAL CRYSTALLOGRAPHY LA English DT Article DE X-ray diffraction; [4,4 '-diisopropoxyester-2,2 '-bipyridine]; [dichloro(4,4 '-diisopropoxyester-2,2 '-bipyridine)-platinum(II)] Supramolecular interactions; Pseudo-polymorphism ID ELECTRONIC-STRUCTURE; DIIMINE COMPLEXES; ACCEPTORS AB The organic ligand 4,4'-diisopropoxyester-2,2'-bipyridine, C18H20N2O4 (1), crystallizes in the triclinic crystal system P-1 and the molecule occupies a special position in the unit cell. In the crystal, molecules form stacks with partial overlapping of the pyridine rings. The Pt(II) dichloro complex of 1 crystallizes from a mixture of ethanol/hexane and from dichloromethane to form orange and yellow crystals, respectively. The orange non-solvated crystals of the (bipyridine)(dichloro)platinum(II) complex C18H20N2O4PtCl2 (2) crystallize in the triclinic crystal system P-1 as well with two independent molecules in the unit cell. In the crystal packing, molecules form two types of dimers with Pt1 center dot center dot center dot Pt1A and Pt2 center dot center dot center dot Pt2A distances of 3.478 and 5.186 angstrom respectively. The yellow crystals, as a solvated pseudo-polymorph C18H20N2O4PtCl2 center dot 1.5 CH2Cl2 (3) also crystallize in the triclinic crystal system P-1 with two independent molecules in the unit cell. In the crystal packing, molecules form Pt2 center dot center dot center dot Pt1 center dot center dot center dot Pt1A center dot center dot center dot Pt2A intermolecular contacts with alternating distances 3.501 and 3.431 angstrom, respectively, forming infinite chains. Graphical Abstract The dichloro(bipyridine)platinum complex, dichloro(4,4'-diisopropoxyester-2,2'-bipyridine)platinum(II), forms single crystals as a stable non-solvated form and a solvated polymorph with dramatically different supramolecular structure and short contacts. [GRAPHICS] . C1 [Browning, Charles; Nesterov, Vladimir N.; Omary, Mohammad A.] Univ N Texas, Dept Chem, Denton, TX 76203 USA. [Wang, Xiaoping] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. RP Browning, C (reprint author), Univ N Texas, Dept Chem, 1155 Union Circle,305070, Denton, TX 76203 USA. EM charlesbrowning@my.unt.edu; omary@unt.edu RI Wang, Xiaoping/E-8050-2012 OI Wang, Xiaoping/0000-0001-7143-8112 FU United States' National Science Foundation [CHE-1413641, CHE-0911690, CMMI-0963509]; Robert A. Welch Foundation [B-1542]; U.S. Department of Energy, Office of Science [DE-AC05-00OR22725] FX This work has been supported by the United States' National Science Foundation (CHE-1413641; CHE-0911690; CMMI-0963509; CHE-0840518) and the Robert A. Welch Foundation (Grant B-1542). X. W. acknowledges support by the U.S. Department of Energy, Office of Science, under Contract No. DE-AC05-00OR22725 managed by UT Battelle, LLC. NR 24 TC 2 Z9 2 U1 1 U2 9 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1074-1542 EI 1572-8854 J9 J CHEM CRYSTALLOGR JI J. Chem. Crystallogr. PD JUN PY 2015 VL 45 IS 6 BP 277 EP 283 DI 10.1007/s10870-015-0585-z PG 7 WC Crystallography; Spectroscopy SC Crystallography; Spectroscopy GA CK9PN UT WOS:000356572100002 ER PT J AU Jackson, SI Short, M AF Jackson, Scott I. Short, Mark TI Scaling of detonation velocity in cylinder and slab geometries for ideal, insensitive and non-ideal explosives SO JOURNAL OF FLUID MECHANICS LA English DT Article DE compressible flows; detonation waves ID SHOCK DYNAMICS; MULTIDIMENSIONAL DETONATION; FAILURE THICKNESS; CRITICAL DIAMETER; INITIATION; PROPAGATION AB Experiments were conducted to characterize the detonation phase-velocity dependence on charge thickness for two-dimensional detonation in condensed-phase explosive slabs of PBX 9501, PBX 9502 and ANFO. In combination with previous diametereffect measurements from a cylindrical rate-stick geometry, these data permit examination of the relative scaling of detonation phase velocity between axisymmetric and two-dimensional detonation. We find that the ratio of cylinder radius (R) to slab thickness (T) at each detonation phase velocity (D-0) is such that R(D-0)/(T(D-0) < 1. The variation in the R(D-0)(T(D-0) scaling is investigated with two detonation shock dynamics (DSD) models: a lower-order model relates the normal detonation velocity to local shock curvature, while a higher-order model includes the effect of front acceleration and transverse flow. The experimentally observed R(D-0)/(T(D-0) (< 1) scaling behaviour for PBX 9501 and PBX 9502 is captured by the lower-order DSD theory, revealing that the variation in the scale factor is due to a difference in the slab and axisymmetric components of the curvature along the shock in the cylindrical geometry. The higher-order DSD theory is required to capture the observed R(D-0)/(T(D-0) (< 1) scaling behaviour for ANFO. An asymptotic analysis of the lower-order DSD formulation describes the geometric scaling of the detonation phase velocity between the cylinder and slab geometries as the detonation phase velocity approaches the Chapman-Jouguet value. C1 [Jackson, Scott I.; Short, Mark] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA. RP Jackson, SI (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, POB 1663, Los Alamos, NM 87545 USA. EM sjackson@lanl.gov OI Jackson, Scott/0000-0002-6814-3468 NR 50 TC 4 Z9 4 U1 0 U2 11 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 2015 VL 773 BP 224 EP 266 DI 10.1017/jfm.2015.240 PG 43 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA CL5VM UT WOS:000357030300013 ER PT J AU Bie, YQ Horng, J Shi, ZW Ju, L Zhou, Q Zettl, A Yu, DP Wang, F AF Bie, Ya-Qing Horng, Jason Shi, Zhiwen Ju, Long Zhou, Qin Zettl, Alex Yu, Dapeng Wang, Feng TI Vibrational spectroscopy at electrolyte/electrode interfaces with graphene gratings SO NATURE COMMUNICATIONS LA English DT Article ID INFRARED-ABSORPTION SPECTROSCOPY; IN-SITU; GOLD NANOPARTICLES; WATER-MOLECULES; SURFACE; ELECTRODES; COPPER; SUPERCAPACITORS; TRANSPARENT; ADSORPTION AB Microscopic understanding of physical and electrochemical processes at electrolyte/electrode interfaces is critical for applications ranging from batteries, fuel cells to electrocatalysis. However, probing such buried interfacial processes is experimentally challenging. Infrared spectroscopy is sensitive to molecule vibrational signatures, yet to approach the interface three stringent requirements have to be met: interface specificity, sub-monolayer molecular detection sensitivity, and electrochemically stable and infrared transparent electrodes. Here we show that transparent graphene gratings electrode provide an attractive platform for vibrational spectroscopy at the electrolyte/electrode interfaces: infrared diffraction from graphene gratings offers enhanced detection sensitivity and interface specificity. We demonstrate the vibrational spectroscopy of methylene group of adsorbed sub-monolayer cetrimonium bromide molecules and reveal a reversible field-induced electrochemical deposition of cetrimonium bromide on the electrode controlled by the bias voltage. Such vibrational spectroscopy with graphene gratings is promising for real time and in situ monitoring of different chemical species at the electrolyte/electrode interfaces. C1 [Bie, Ya-Qing; Horng, Jason; Shi, Zhiwen; Ju, Long; Zhou, Qin; Zettl, Alex; Wang, Feng] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bie, Ya-Qing; Yu, Dapeng] Peking Univ, Dept Phys, State Key Lab Mesoscop Phys, Beijing 100871, Peoples R China. [Zettl, Alex; Wang, Feng] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. [Zettl, Alex; Wang, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wang, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Wang, F (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM fengwang76@berkeley.edu RI Shi, Zhiwen/C-4945-2013; Zettl, Alex/O-4925-2016; wang, Feng/I-5727-2015 OI Shi, Zhiwen/0000-0002-3928-2960; Zettl, Alex/0000-0001-6330-136X; FU National Science Foundation [DMR-1344302]; Office of Naval Research [N00014- 13-1-0464]; David and Lucile Packard fellowship FX The work was mainly supported by the National Science Foundation (DMR-1344302). Graphene synthesis and device fabrication were supported by the Office of Naval Research (award N00014- 13-1-0464). F.W. acknowledges support from a David and Lucile Packard fellowship. We thank H.A. Bechtel, H. L. Han and Y.R. Shen for useful discussion and suggestion. NR 33 TC 4 Z9 4 U1 12 U2 54 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2015 VL 6 AR 7593 DI 10.1038/ncomms8593 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CL7WA UT WOS:000357181600001 PM 26123807 ER PT J AU Li, Y Zakharov, D Zhao, S Tappero, R Jung, U Elsen, A Baumann, P Nuzzo, RG Stach, EA Frenkel, AI AF Li, Y. Zakharov, D. Zhao, S. Tappero, R. Jung, U. Elsen, A. Baumann, Ph. Nuzzo, R. G. Stach, E. A. Frenkel, A. I. TI Complex structural dynamics of nanocatalysts revealed in Operando conditions by correlated imaging and spectroscopy probes SO NATURE COMMUNICATIONS LA English DT Article ID ELECTRON-MICROSCOPY; NANOPARTICLES; CATALYSTS; NANOSCALE; OXIDATION; CLUSTERS; TIME AB Understanding how heterogeneous catalysts change size, shape and structure during chemical reactions is limited by the paucity of methods for studying catalytic ensembles in working state, that is, in operando conditions. Here by a correlated use of synchrotron X-ray absorption spectroscopy and scanning transmission electron microscopy in operando conditions, we quantitatively describe the complex structural dynamics of supported Pt catalysts exhibited during an exemplary catalytic reaction-ethylene hydrogenation. This work exploits a microfabricated catalytic reactor compatible with both probes. The results demonstrate dynamic transformations of the ensemble of Pt clusters that spans a broad size range throughout changing reaction conditions. This method is generalizable to quantitative operando studies of complex systems using a wide variety of X-ray and electron-based experimental probes. C1 [Li, Y.; Baumann, Ph.; Frenkel, A. I.] Yeshiva Univ, Dept Phys, New York, NY 10016 USA. [Zakharov, D.; Zhao, S.; Stach, E. A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Zhao, S.; Jung, U.; Elsen, A.; Nuzzo, R. G.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Tappero, R.] Brookhaven Natl Lab, Photon Sci Div, New York, NY 11973 USA. [Nuzzo, R. G.] KTH Royal Inst Technol, Sch Chem Sci & Engn, S-10044 Stockholm, Sweden. RP Stach, EA (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM estach@bnl.gov; anatoly.frenkel@yu.edu RI Frenkel, Anatoly/D-3311-2011; Stach, Eric/D-8545-2011; Zakharov, Dmitri/F-4493-2014 OI Frenkel, Anatoly/0000-0002-5451-1207; Stach, Eric/0000-0002-3366-2153; FU US Department of Energy, Office of Basic Energy Sciences [DE-FG02-03ER15476, DE-SC0012704, DE-FG02-05ER15688]; LDRD grant at Brookhaven National Laboratory FX The authors gratefully acknowledge support for this by the US Department of Energy, Office of Basic Energy Sciences under Grant No. DE-FG02-03ER15476 (Y.L., S.Z., U.J., A.E., R.G.N., A.I.F.) and Contract No. DE-SC0012704 (D.Z., R.T., E.A.S.). The development of the micro-cell was supported, in part, by an LDRD grant at Brookhaven National Laboratory. We acknowledge the facilities support provided at the Centre for Functional Nanomaterials, the National Synchrotron Light Source at the Brookhaven National Laboratory (US Department of Energy, Office of Basic Energy Sciences, Contract No. DE-SC0012704) and the Synchrotron Catalysis Consortium (US Department of Energy, Office of Basic Energy Sciences, Grant No. DE-FG02-05ER15688). NR 24 TC 13 Z9 13 U1 13 U2 74 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2015 VL 6 AR 7583 DI 10.1038/ncomms8583 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CL7VY UT WOS:000357181400001 PM 26119246 ER PT J AU Petzetakis, N Doherty, CM Thornton, AW Chen, XC Cotanda, P Hill, AJ Balsara, NP AF Petzetakis, Nikos Doherty, Cara M. Thornton, Aaron W. Chen, X. Chelsea Cotanda, Pepa Hill, Anita J. Balsara, Nitash P. TI Membranes with artificial free-volume for biofuel production SO NATURE COMMUNICATIONS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; BLOCK-COPOLYMER; NANOCOMPOSITE MEMBRANES; TRANSPORT; PERMEABILITY; POLYMERS; ANNIHILATION; SEPARATION; FILMS; WATER AB Free-volume of polymers governs transport of penetrants through polymeric films. Control over free-volume is thus important for the development of better membranes for a wide variety of applications such as gas separations, pharmaceutical purifications and energy storage. To date, methodologies used to create materials with different amounts of free-volume are based primarily on chemical synthesis of new polymers. Here we report a simple methodology for generating free-volume based on the self-assembly of polyethylene-b-polydimethylsiloxane- b-polyethylene triblock copolymers. We have used this method to fabricate a series of membranes with identical compositions but with different amounts of free-volume. We use the term artificial free-volume to refer to the additional free-volume created by self-assembly. The effect of artificial free-volume on selective transport through the membranes was tested using butanol/water and ethanol/water mixtures due to their importance in biofuel production. We found that the introduction of artificial free-volume improves both alcohol permeability and selectivity. C1 [Petzetakis, Nikos; Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Doherty, Cara M.; Thornton, Aaron W.; Hill, Anita J.] CSIRO, Clayton, Vic 3169, Australia. [Chen, X. Chelsea; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Chen, X. Chelsea; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Cotanda, Pepa; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. RP Balsara, NP (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM nbalsara@berkeley.edu RI Hill, Anita/B-9231-2011 FU Energy Biosciences Institute (EBI), University of California at Berkeley; CSIRO IP TCP; Australian Research Council [DE140101359]; Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the US Department of Energy [DE-SC0004993]; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX This research was supported by the Energy Biosciences Institute (EBI), University of California at Berkeley. Dr C.D. was supported by CSIRO IP TCP and the Australian Research Council (DE140101359). Dr P.C. was supported by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the US Department of Energy under Award Number DE-SC0004993. The SAXS measurements were performed at the Advanced Light Source at LBNL, supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract DE-AC02-05CH11231. NR 35 TC 4 Z9 4 U1 9 U2 44 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD JUN PY 2015 VL 6 AR 7529 DI 10.1038/ncomms8529 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CL7VH UT WOS:000357179500002 PM 26104672 ER PT J AU Qian, DN Ma, C More, KL Meng, YS Chi, MF AF Qian, Danna Ma, Cheng More, Karren L. Meng, Ying Shirley Chi, Miaofang TI Advanced analytical electron microscopy for lithium-ion batteries SO NPG ASIA MATERIALS LA English DT Review ID ENERGY-LOSS SPECTROSCOPY; EXCESS LAYERED OXIDES; IN-SITU TEM; ATOMIC-SCALE; ELECTROCHEMICAL LITHIATION; CONVERSION REACTION; SOLID-ELECTROLYTE; CATHODE MATERIALS; PHASE-TRANSITION; SNO2 NANOWIRE AB Lithium-ion batteries are a leading candidate for electric vehicle and smart grid applications. However, further optimizations of the energy/power density, coulombic efficiency and cycle life are still needed, and this requires a thorough understanding of the dynamic evolution of each component and their synergistic behaviors during battery operation. With the capability of resolving the structure and chemistry at an atomic resolution, advanced analytical transmission electron microscopy (AEM) is an ideal technique for this task. The present review paper focuses on recent contributions of this important technique to the fundamental understanding of the electrochemical processes of battery materials. A detailed review of both static (ex situ) and real-time (in situ) studies will be given, and issues that still need to be addressed will be discussed. C1 [Qian, Danna; Ma, Cheng; More, Karren L.; Chi, Miaofang] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Qian, Danna; Meng, Ying Shirley] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA. RP Chi, MF (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM chim@ornl.gov RI Ma, Cheng/C-9120-2014; Chi, Miaofang/Q-2489-2015; More, Karren/A-8097-2016 OI Chi, Miaofang/0000-0003-0764-1567; More, Karren/0000-0001-5223-9097 FU ORNL's Center for Nanophase Materials Sciences (CNMS); U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0002357] FX The research was supported by ORNL's Center for Nanophase Materials Sciences (CNMS), which is a U.S. Department of Energy, Office of Science User Facility. D.Q. and Y.S.M. acknowledge the partial funding support from the U.S. Department of Energy, Office of Basic Energy Sciences, # DE-SC0002357. NR 70 TC 12 Z9 12 U1 16 U2 90 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1884-4049 EI 1884-4057 J9 NPG ASIA MATER JI NPG Asia Mater. PD JUN PY 2015 VL 7 AR e193 DI 10.1038/am.2015.50 PG 10 WC Materials Science, Multidisciplinary SC Materials Science GA CL6RM UT WOS:000357094900009 ER PT J AU Tasolamprou, AC Zhang, L Kafesaki, M Koschny, T Soukoulis, CM AF Tasolamprou, Anna C. Zhang, Lei Kafesaki, Maria Koschny, Thomas Soukoulis, Costas M. TI Frequency splitter based on the directional emission from surface modes in dielectric photonic crystal structures SO OPTICS EXPRESS LA English DT Article ID LIGHT; PLASMONICS AB We demonstrate the numerical design and the experimental validation of frequency dependent directional emission from a dielectric photonic crystal structure. The wave propagates through a photonic crystal line-defect waveguide, while a surface layer at the termination of the photonic crystal enables the excitation of surface modes and a subsequent grating layer transforms the surface energy into outgoing propagating waves of the form of a directional beam. The angle of the beam is controlled by the frequency and the structure operates as a frequency splitter in the intermediate and far field region. (C) 2015 Optical Society of America C1 [Tasolamprou, Anna C.; Kafesaki, Maria; Soukoulis, Costas M.] FORTH, Inst Elect Struct & Laser, Iraklion 71110, Greece. [Zhang, Lei; Koschny, Thomas; Soukoulis, Costas M.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Zhang, Lei; Koschny, Thomas; Soukoulis, Costas M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Kafesaki, Maria] Univ Crete, Dept Mat Sci & Technol, Iraklion 71003, Greece. RP Tasolamprou, AC (reprint author), FORTH, Inst Elect Struct & Laser, Iraklion 71110, Greece. EM atasolam@iesl.forth.gr RI Soukoulis, Costas/A-5295-2008; Kafesaki, Maria/E-6843-2012 OI Kafesaki, Maria/0000-0002-9524-2576 FU US Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering [DE-AC02-07CH11358]; Greek GSRT project ERC02-EXEL [6260]; European Research Council [320081] FX The work at Ames Laboratory was partially supported by the US Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering (Ames Laboratory is operated for the US Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358) (experiments). Work at FORTH was supported by Greek GSRT project ERC02-EXEL Grant No. 6260 (simulations) and by the European Research Council under the ERC Advanced Grant No. 320081 (PHOTOMETA) (theory). NR 25 TC 2 Z9 2 U1 2 U2 26 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD JUN 1 PY 2015 VL 23 IS 11 BP 13972 EP 13982 DI 10.1364/OE.23.013972 PG 11 WC Optics SC Optics GA CL4DI UT WOS:000356902400057 PM 26072766 ER PT J AU Rodriguez, G Jaime, M Balakirev, F Mielke, CH Azad, A Marshall, B La Lone, BM Henson, B Smilowitz, L AF Rodriguez, George Jaime, Marcelo Balakirev, Fedor Mielke, Chuck H. Azad, Abul Marshall, Bruce La Lone, Brandon M. Henson, Bryan Smilowitz, Laura TI Coherent pulse interrogation system for fiber Bragg grating sensing of strain and pressure in dynamic extremes of materials SO OPTICS EXPRESS LA English DT Article ID SENSORS; LASER AB A 100 MHz fiber Bragg grating (FBG) interrogation system is described and applied to strain and pressure sensing. The approach relies on coherent pulse illumination of the FBG sensor with a broadband short pulse from a femtosecond modelocked erbium fiber laser. After interrogation of the FBG sensor, a long multi-kilometer run of single mode fiber is used for chromatic dispersion to temporally stretch the spectral components of the reflected pulse from the FBG sensor. Dynamic strain or pressure induced spectral shifts in the FBG sensor are detected as a pulsed time domain waveform shift after encoding by the chromatic dispersive line. Signals are recorded using a single 35 GHz photodetector and a 50 G Samples per second, 25 GHz bandwidth, digitizing oscilloscope. Application of this approach to high-speed strain sensing in magnetic materials in pulsed magnetic fields to similar to 150 T is demonstrated. The FBG wavelength shifts are used to study magnetic field driven magnetostriction effects in LaCoO3. A sub-microsecond temporal shift in the FBG sensor wavelength attached to the sample under first order phase change appears as a fractional length change (strain: Delta L/L<10(-4)) in the material. A second application used FBG sensing of pressure dynamics to nearly 2 GPa in the thermal ignition of the high explosive PBX-9501 is also demonstrated. Both applications demonstrate the use of this FBG interrogation system in dynamical extreme conditions that would otherwise not be possible using traditional FBG interrogation approaches that are deemed too slow to resolve such events. (C) 2015 Optical Society of America C1 [Rodriguez, George; Jaime, Marcelo; Balakirev, Fedor; Mielke, Chuck H.; Azad, Abul] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Jaime, Marcelo; Balakirev, Fedor; Mielke, Chuck H.] Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Marshall, Bruce; La Lone, Brandon M.] Natl Secur Technol LLC, Special Technol Lab, Santa Barbara, CA 93001 USA. [Henson, Bryan; Smilowitz, Laura] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Rodriguez, G (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM rodrigeo@lanl.gov RI Mielke, Charles/S-6827-2016; Jaime, Marcelo/F-3791-2015; Rodriguez, George/G-7571-2012; OI Mielke, Charles/0000-0002-2096-5411; Jaime, Marcelo/0000-0001-5360-5220; Rodriguez, George/0000-0002-6044-9462; Azad, Abul/0000-0002-7784-7432 FU DOE/NNSA Laboratory Directed Research and Development program at Los Alamos National Laboratory under U.S. Department of Energy for Los Alamos National Security, LLC [DE-AC52-06NA25396]; National Science Foundation (NSF); US Department of Energy (DOE); State of Florida through NSF Cooperative Grant [DMR-1157490]; US DOE Basic Energy Science project "Science at 100 Tesla" FX This work was supported by the DOE/NNSA Laboratory Directed Research and Development program at Los Alamos National Laboratory under the auspices of the U.S. Department of Energy for Los Alamos National Security, LLC, Contract No. DE-AC52-06NA25396. We would like to thank Dwight G. Rickel, Ross D. McDonald, Jon B. Betts, and Andreas V. Stier for their technical support at the NHMFL. The National High Magnetic Field Laboratory Pulsed Field Facility is supported by the National Science Foundation (NSF), the US Department of Energy (DOE), and the State of Florida through NSF Cooperative Grant DMR-1157490. Work at LANL was supported by the US DOE Basic Energy Science project "Science at 100 Tesla." NR 31 TC 4 Z9 4 U1 4 U2 37 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD JUN 1 PY 2015 VL 23 IS 11 BP 14219 EP 14233 DI 10.1364/OE.23.014219 PG 15 WC Optics SC Optics GA CL4DI UT WOS:000356902400080 PM 26072789 ER PT J AU Cheng, F Gao, J Stan, L Rosenmann, D Czaplewski, D Yang, XD AF Cheng, Fei Gao, Jie Stan, Liliana Rosenmann, Daniel Czaplewski, David Yang, Xiaodong TI Aluminum plasmonic metamaterials for structural color printing SO OPTICS EXPRESS LA English DT Article ID DIFFRACTION LIMIT; FILTERS; NANOSTRUCTURES; ARRAYS AB We report a structural color printing platform based on aluminum plasmonic metamaterials supporting near perfect light absorption and narrow-band spectral response tunable across the visible spectrum to realize high-resolution, angle-insensitive color printing with high color purity and saturation. Additionally, the fabricated metamaterials can be protected by a transparent polymer thin layer for ambient use with further improved color performance. The demonstrated structural color printing with aluminum plasmonic metamaterials offers great potential for relevant applications such as security marking and information storage. (C) 2015 Optical Society of America. C1 [Cheng, Fei; Gao, Jie; Yang, Xiaodong] Missouri Univ Sci & Technol, Dept Mech & Aerosp Engn, Rolla, MO 65409 USA. [Stan, Liliana; Rosenmann, Daniel; Czaplewski, David] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Yang, XD (reprint author), Missouri Univ Sci & Technol, Dept Mech & Aerosp Engn, Rolla, MO 65409 USA. EM gaojie@mst.edu; yangxia@mst.edu FU University of Missouri Interdisciplinary Intercampus Research Program; Ralph E. Powe Junior Faculty Enhancement Award; National Science Foundation [CBET-1402743]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility [DE-AC02-06CH11357]; Center for Nanoscale Materials FX The authors acknowledge the support from the University of Missouri Interdisciplinary Intercampus Research Program, the Ralph E. Powe Junior Faculty Enhancement Award, the National Science Foundation under grant CBET-1402743 and the facility support from the Materials Research Center at Missouri S&T. This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility under Contract No. DE-AC02-06CH11357. NR 25 TC 22 Z9 22 U1 7 U2 70 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1094-4087 J9 OPT EXPRESS JI Opt. Express PD JUN 1 PY 2015 VL 23 IS 11 BP 14552 EP 14560 DI 10.1364/OE.23.014552 PG 9 WC Optics SC Optics GA CL4DI UT WOS:000356902400106 PM 26072815 ER PT J AU Sepulveda-Medina, P Katsenovich, Y Musaramthota, V Lee, M Lee, B Dua, R Lagos, L AF Sepulveda-Medina, Paola Katsenovich, Yelena Musaramthota, Vishal Lee, Michelle Lee, Brady Dua, Rupak Lagos, Leonel TI The effect of uranium on bacterial viability and cell surface morphology using atomic force microscopy in the presence of bicarbonate ions SO RESEARCH IN MICROBIOLOGY LA English DT Article DE Arthrobacter sp.; Aqueous bicarbonate; Toxicity; Atomic force microscopy; Live/dead analysis ID SUBSURFACE SEDIMENTS; COMPLEX-FORMATION; ARTHROBACTER; DIVERSITY; CALCIUM; SITE AB Past disposal practices at nuclear production facilities have led to the release of liquid waste into the environment creating multiple radionuclide plumes. Microorganisms are known for the ability to interact with radionuclides and impact their mobility in soils and sediments. Gram-positive Arthrobacter sp. are one of the most common bacterial groups in soils and are found in large numbers in subsurface environments contaminated with radionuclides. This study experimentally analyzed changes on the bacteria surface at the nanoscale level after uranium exposure and evaluated the effect of aqueous bicarbonate ions on U(VI) toxicity of a low uranium-tolerant Arthrobacter oxydans strain G968 by investigating changes in adhesion forces and cell dimensions via atomic force microscopy (AFM). Experiments were extended to assess cell viability by the Live/Dead BacLight Bacterial Viability Kit (Molecular Probes) and quantitatively illustrate the effect of uranium exposure in the presence of varying concentrations of bicarbonate ions. AFM and viability studies showed that samples containing bicarbonate were able to withstand uranium toxicity and remained viable. Samples containing no bicarbonate exhibited deformed surfaces and a low height profile, which, in conjunction with viability studies, indicated that the cells were not viable. (C) 2015 Institut Pasteur. Published by Elsevier Masson SAS. All rights reserved. C1 [Sepulveda-Medina, Paola; Katsenovich, Yelena; Musaramthota, Vishal; Lagos, Leonel] Florida Int Univ, Appl Res Ctr, Miami, FL 33174 USA. [Sepulveda-Medina, Paola; Dua, Rupak] Florida Int Univ, Dept Biomed Engn, Miami, FL 33174 USA. [Lee, Michelle; Lee, Brady] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Katsenovich, Y (reprint author), Florida Int Univ, Appl Res Ctr, 10555 W Flagler St, Miami, FL 33174 USA. EM katsenov@fiu.edu FU U.S. DOE [DE-EM0000598] FX Funding for this research was provided by U.S. DOE grant number DE-EM0000598. We would like to thank Dr. Patricia Sobecky and Dr. Robert J. Martinez from the University of Alabama, Tuscaloosa, AL, for providing us with the Arthrobacter sp. strains. NR 26 TC 1 Z9 1 U1 8 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0923-2508 EI 1769-7123 J9 RES MICROBIOL JI Res. Microbiol. PD JUN PY 2015 VL 166 IS 5 BP 419 EP 427 DI 10.1016/j.resmic.2015.03.003 PG 9 WC Microbiology SC Microbiology GA CL5FJ UT WOS:000356984900004 PM 25842164 ER PT J AU Nizolek, T Mara, NA Beyerlein, IJ Avallone, JT Pollock, TM AF Nizolek, Thomas Mara, Nathan A. Beyerlein, Irene J. Avallone, Jaclyn T. Pollock, Tresa M. TI Enhanced Plasticity via Kinking in Cubic Metallic Nanolaminates SO ADVANCED ENGINEERING MATERIALS LA English DT Article ID ULTRAFINE-GRAINED METALS; DEFORMATION INSTABILITY; AU/CU MULTILAYERS; SHEAR BANDS; NANOCRYSTALLINE; COMPOSITES; DUCTILITY; CU; MICROSTRUCTURE; MECHANISMS C1 [Nizolek, Thomas; Avallone, Jaclyn T.; Pollock, Tresa M.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Mara, Nathan A.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Nizolek, T (reprint author), Univ Calif Santa Barbara, Dept Mat, Bldg 503, Santa Barbara, CA 93106 USA. EM tnizolek@engr.ucsb.edu RI Mara, Nathan/J-4509-2014 FU Department of Defense through the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program; UC Lab Fees Research Program [UCD-12-0045.15]; Center for Materials at Irradiation and Mechanical Extremes, an Energy Frontier Research Center - U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [2008LANL1026] FX We thank J. Scott from Los Alamos National Laboratory for his assistance in the synthesis of the materials used in this work. T. N. was supported by the Department of Defense through the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program. J. T. A. and T. M. P. wish to acknowledge support by the UC Lab Fees Research Program # UCD-12-0045.15. N. A. M. and I. J. B. gratefully acknowledge support by the Center for Materials at Irradiation and Mechanical Extremes, an Energy Frontier Research Center funded by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number 2008LANL1026. 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. Supporting Information is available online from Wiley InterScience or from the author. NR 29 TC 4 Z9 4 U1 2 U2 10 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1438-1656 EI 1527-2648 J9 ADV ENG MATER JI Adv. Eng. Mater. PD JUN PY 2015 VL 17 IS 6 BP 781 EP 785 DI 10.1002/adem.201400324 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA CK6XQ UT WOS:000356372500005 ER PT J AU Decker, M Staude, I Falkner, M Dominguez, J Neshev, DN Brener, I Pertsch, T Kivshar, YS AF Decker, Manuel Staude, Isabelle Falkner, Matthias Dominguez, Jason Neshev, Dragomir N. Brener, Igal Pertsch, Thomas Kivshar, Yuri S. TI High-Efficiency Dielectric Huygens' Surfaces SO ADVANCED OPTICAL MATERIALS LA English DT Article ID PHASE DISCONTINUITIES; LIGHT-PROPAGATION; VISIBLE-LIGHT; METASURFACES; RESONANCES; METAMATERIALS; NANOPARTICLES; NANOANTENNAS; SCATTERING; ANTENNAS AB Optical metasurfaces have developed as a breakthrough concept for advanced wave-front engineering enabled by subwavelength resonant nanostructures. However, reflection and/or absorption losses as well as low polarization-conversion efficiencies pose a fundamental obstacle for achieving high transmission efficiencies that are required for practical applications. Here, for the first time to our knowledge, highly efficient all-dielectric metasurfaces are demonstrated for NIR frequencies using arrays of silicon nanodisks as metaatoms. The main features of Huygens' sources are employed, namely, spectrally overlapping crossed electric and magnetic dipole resonances of equal strength, to demonstrate Huygens' surfaces with full transmission-phase coverage of 360 degrees and near-unity transmission. Full-phase coverage combined with high efficiency in transmission are experimentally confirmed. Based on these key properties, all-dielectric Huygens' metasurfaces can become a new paradigm for flat optical devices, including beam-steering, beam-shaping, and focusing, as well as holography and dispersion control. C1 [Decker, Manuel; Staude, Isabelle; Neshev, Dragomir N.; Kivshar, Yuri S.] Australian Natl Univ, Res Sch Phys & Engn, Nonlinear Phys Ctr, Canberra, ACT 0200, Australia. [Falkner, Matthias; Pertsch, Thomas] Univ Jena, Inst Appl Phys, Abbe Ctr Photon, D-07743 Jena, Germany. [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, Canberra, ACT 0200, Australia. EM isabelle.staude@anu.edu.au RI Pertsch, Thomas/M-2876-2015; Staude, Isabelle/N-4270-2015; Neshev, Dragomir/A-3759-2008; OI Pertsch, Thomas/0000-0003-4889-0869; Neshev, Dragomir/0000-0002-4508-8646; Decker, Manuel/0000-0002-9125-0851 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Australian Research Council; Group of Eight: Australia - Germany Joint Research Cooperation Scheme; German Federal Ministry of Education and Research (PhoNa); Thueringian Ministry of Education, Science and Culture (MeMa); DECRA Fellowship; Center for Integrated Nanotechnologies FX We acknowledge useful discussions with W. Liu, A. E. Miroshnichenko, M. Wegener, J. Fischer, D. Powell, V. Stoev, and A. Evlyukhin. 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 multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. The authors also acknowledge support from the Australian Research Council through Discovery Project and DECRA Fellowship grants as well as support from the Group of Eight: Australia - Germany Joint Research Cooperation Scheme, the German Federal Ministry of Education and Research (PhoNa), and the Thueringian Ministry of Education, Science and Culture (MeMa). NR 40 TC 131 Z9 131 U1 29 U2 122 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 2195-1071 J9 ADV OPT MATER JI Adv. Opt. Mater. PD JUN PY 2015 VL 3 IS 6 BP 813 EP 820 DI 10.1002/adom.201400584 PG 8 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA CK8PH UT WOS:000356499800012 ER PT J AU Guy, RD Philip, B Griffith, BE AF Guy, Robert D. Philip, Bobby Griffith, Boyce E. TI Geometric multigrid for an implicit-time immersed boundary method SO ADVANCES IN COMPUTATIONAL MATHEMATICS LA English DT Article DE Fluid-structure interaction; Immersed boundary method; Krylov methods; Multigrid solvers; Multigrid preconditioners ID NAVIER-STOKES EQUATIONS; CONVERGENCE; STABILITY; EFFICIENT; SOLVERS; SYSTEMS; ROBUST; FLOWS AB The immersed boundary (IB) method is an approach to fluid-structure interaction that uses Lagrangian variables to describe the deformations and resulting forces of the structure and Eulerian variables to describe the motion and forces of the fluid. Explicit time stepping schemes for the IB method require solvers only for Eulerian equations, for which fast Cartesian grid solution methods are available. Such methods are relatively straightforward to develop and are widely used in practice but often require very small time steps to maintain stability. Implicit-time IB methods permit the stable use of large time steps, but efficient implementations of such methods require significantly more complex solvers that effectively treat both Lagrangian and Eulerian variables simultaneously. Several different approaches to solving the coupled Lagrangian-Eulerian equations have been proposed, but a complete understanding of this problem is still emerging. This paper presents a geometric multigrid method for an implicit-time discretization of the IB equations. This multigrid scheme uses a generalization of box relaxation that is shown to handle problems in which the physical stiffness of the structure is very large. Numerical examples are provided to illustrate the effectiveness and efficiency of the algorithms described herein. These tests show that using multigrid as a preconditioner for a Krylov method yields improvements in both robustness and efficiency as compared to using multigrid as a solver. They also demonstrate that with a time step 100-1000 times larger than that permitted by an explicit IB method, the multigrid-preconditioned implicit IB method is approximately 50-200 times more efficient than the explicit method. C1 [Guy, Robert D.] Univ Calif Davis, Dept Math, Davis, CA 95616 USA. [Philip, Bobby] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Griffith, Boyce E.] Univ N Carolina, Dept Math, Chapel Hill, NC USA. RP Guy, RD (reprint author), Univ Calif Davis, Dept Math, Davis, CA 95616 USA. EM guy@math.ucdavis.edu; philipb@ornl.gov; boyceg@email.unc.edu OI Philip, Bobby/0000-0001-6716-3515 FU University of California Office of The President (UCOP) [09-LR-03-116724-GUYR]; National Science Foundation (NSF) [DMS 1160438, DMS 1226386]; American Heart Association [10SDG4320049]; NSF [DMS 1016554, OCI 1047734]; U.S. Department of Energy [DE-AC05-00OR22725]; United States Government FX This work was supported in part by University of California Office of The President (UCOP) grant 09-LR-03-116724-GUYR to RG and BP, National Science Foundation (NSF) grants DMS 1160438 and DMS 1226386 to RG, and by American Heart Association grant 10SDG4320049 and NSF grants DMS 1016554 and OCI 1047734 to BG.; This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 39 TC 2 Z9 2 U1 1 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1019-7168 EI 1572-9044 J9 ADV COMPUT MATH JI Adv. Comput. Math. PD JUN PY 2015 VL 41 IS 3 BP 635 EP 662 DI 10.1007/s10444-014-9380-1 PG 28 WC Mathematics, Applied SC Mathematics GA CK9DK UT WOS:000356540600007 ER PT J AU Ghim, YS Chang, YS Jung, K AF Ghim, Young Sung Chang, Young-Soo Jung, Kweon TI Temporal and Spatial Variations in Fine and Coarse Particles in Seoul, Korea SO AEROSOL AND AIR QUALITY RESEARCH LA English DT Article DE Time trends; Spatial variability; Fugitive dust; Vehicular emissions; High PM2.5 days ID LOS-ANGELES AREA; PARTICULATE MATTER; ASIAN DUST; CHEMICAL CHARACTERISTICS; SOURCE APPORTIONMENT; UNITED-STATES; AIR-QUALITY; URBAN; PM2.5; VARIABILITY AB Concentrations of fine (PM2.5) and coarse (PM10-2.5) particles, whose aerodynamic diameters are less than or equal to 2.5 mu m, and greater than 2.5 and less than or equal to 10 mu m, respectively, at ambient air monitoring stations in Seoul between 2002 and 2008 were analyzed. Effects of Asian dust are mainly manifested as concentration spikes of PM10-2.5, but were considerable on PM2.5 levels in 2002 when Asian dust storms were the strongest. Excluding the effects of Asian dust, annual average PM2.5 showed a downward trend. Despite a similarity in year-to-year variations, PM10-2.5, mostly affected by fugitive dust emissions, and CO and NO2, primarily affected by motor vehicle emissions, did not show a decrease. PM2.5 along with CO and NO2 had peak concentration during the morning rush hour; the PM10-2.5 peak lagged one hour behind the PM2.5 peak. On high PM2.5 days, PM2.5 peaks occurred two hours later than usual as the effects of secondary formation through photochemical reactions became more important. A test for the spatial variability shows that PM10-2.5, which is known to be greatly influenced by local effects, is lower in its correlation coefficient and higher in its coefficient of divergence (COD, which serves as an indicator for spatial variability) than PM2.5, albeit by only a small difference. The average COD of PM2.5 among monitoring stations was about 0.2 but was lowered to 0.13 when considering high PM2.5 days only, signifying that spatial uniformity increases due to the pervasive influence of photochemical reactions. C1 [Ghim, Young Sung] Hankuk Univ Foreign Studies, Dept Environm Sci, Yongin 449791, South Korea. [Chang, Young-Soo] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. [Jung, Kweon] Seoul Metropolitan Govt Inst Hlth & Environm, Seoul 137734, South Korea. RP Ghim, YS (reprint author), Hankuk Univ Foreign Studies, Dept Environm Sci, Yongin 449791, South Korea. EM ysghim@hufs.ac.kr FU Korea Meteorological Administration Research and Development Program [CATER 2012-7130] FX This work was funded by the Korea Meteorological Administration Research and Development Program under Grant CATER 2012-7130. NR 39 TC 6 Z9 6 U1 3 U2 15 PU TAIWAN ASSOC AEROSOL RES-TAAR PI TAICHUNG COUNTY PA CHAOYANG UNIV TECH, DEPT ENV ENG & MGMT, PROD CTR AAQR, NO 168, JIFONG E RD, WUFONG TOWNSHIP, TAICHUNG COUNTY, 41349, TAIWAN SN 1680-8584 EI 2071-1409 J9 AEROSOL AIR QUAL RES JI Aerosol Air Qual. Res. PD JUN PY 2015 VL 15 IS 3 BP 842 EP 852 DI 10.4209/aaqr.2013.12.0362 PG 11 WC Environmental Sciences SC Environmental Sciences & Ecology GA CK5AA UT WOS:000356233300010 ER PT J AU Trapnell, DW Beasley, RR Lance, SL Field, AR Jones, KL AF Trapnell, Dorset W. Beasley, Rochelle R. Lance, Stacey L. Field, Ashley R. Jones, Kenneth L. TI CHARACTERIZATION OF MICROSATELLITE LOCI FOR AN AUSTRALIAN EPIPHYTIC ORCHID, DENDROBIUM CALAMIFORME, USING ILLUMINA SEQUENCING SO APPLICATIONS IN PLANT SCIENCES LA English DT Article DE Dendrobium calamiforme; Dockrillia calamiformis; genetic diversity; Orchidaceae; phylogeography; simple sequence repeat (SSR) markers ID DISPERSAL; HISTORY AB Premise of the study: Microsatellite loci were developed for the epiphytic pencil orchid Dendrobium calamiforme for population genetic and phylogeographic investigation of this Australian taxon. Methods and Results: Nineteen microsatellite loci were identified from an Illumina paired-end shotgun library of D. calamiforme. Polymorphism and genetic diversity were assessed in 24 individuals from five populations separated by a maximum distance of similar to 80 km. All loci were polymorphic with two to 14 alleles per locus, expected heterozygosity ranging from 0.486 to 0.902, and probability of identity values ranging from 0.018 to 0.380. Conclusions: These novel markers will serve as valuable tools for investigation of levels of genetic diversity as well as patterns of gene flow, genetic structure, and phylogeographic history. C1 [Trapnell, Dorset W.] Univ Georgia, Dept Plant Biol, Athens, GA 30602 USA. [Beasley, Rochelle R.; Lance, Stacey L.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Field, Ashley R.] Queensland Herbarium, Dept Sci Informat Technol & Innovat, Toowong, Qld 4066, Australia. [Field, Ashley R.] James Cook Univ, Australian Trop Herbarium, Smithfield, Qld 4878, Australia. [Jones, Kenneth L.] Univ Colorado, Dept Biochem & Mol Genet, Sch Med, Aurora, CO 80045 USA. RP Trapnell, DW (reprint author), Univ Georgia, Dept Plant Biol, Athens, GA 30602 USA. EM dorset@uga.edu 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 University of Georgia Faculty Research Grant; University of Georgia Office of the Vice President of Research; U.S. Department of Energy [DE-FC09-07SR22506] FX The authors thank Dat Hoang for laboratory assistance, the Biostatistics/Bioinformatics Shared Resource at the University of Colorado Cancer Center (5P30CA046934) for bioinformatics support, Darren Crayn for valuable feedback on the manuscript, and an anonymous reviewer. Funding was provided by a University of Georgia Faculty Research Grant (D.W.T.), the University of Georgia Office of the Vice President of Research (D.W.T.), and by the U.S. Department of Energy under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. NR 16 TC 2 Z9 2 U1 5 U2 20 PU BOTANICAL SOC AMER INC PI ST LOUIS PA PO BOX 299, ST LOUIS, MO 63166-0299 USA SN 2168-0450 J9 APPL PLANT SCI JI Appl. Plant Sci. PD JUN PY 2015 VL 3 IS 6 AR 1500016 DI 10.3732/apps.1500016 PG 4 WC Plant Sciences SC Plant Sciences GA CK8OW UT WOS:000356498600003 ER PT J AU Cohen, LR Raz-Yaseef, N Curtis, JB Young, JM Rahn, TA Wilson, CJ Wullschleger, SD Newman, BD AF Cohen, Lily R. Raz-Yaseef, Naama Curtis, J. Bryan Young, Jessica M. Rahn, Thom A. Wilson, Cathy J. Wullschleger, Stan D. Newman, Brent D. TI Measuring diurnal cycles of evapotranspiration in the Arctic with an automated chamber system SO ECOHYDROLOGY LA English DT Article DE evapotranspiration; NGEE Arctic; polygonal ground; tundra; water balance ID SURFACE-ENERGY BALANCE; TUNDRA ECOSYSTEMS; WATER FLUXES; CARBON; EVAPORATION; PATTERNS; EXCHANGE; FOREST; SCALE; TRANSPIRATION AB Properly quantifying evapotranspiration (ET) is a critical step in determining water and energy balances, especially in Arctic landscapes where spatial and temporal heterogeneity in soil water content and inundation is pronounced. Although the eddy covariance technique has gained popularity as an approach for estimating ET at aggregate scales, obtaining ET estimates at finer spatial scales remains problematic. Thus, ET is poorly estimated for highly variable tundra landscapes, despite the importance of this process for parameterization and validation of models. To overcome this methodological limitation, we developed an approach to measure diurnal ET by modifying a LI-8100A (LI-COR, Lincoln, NE, USA), a chamber-based instrument typically used for measuring soil CO2 fluxes. To enable the use of the LI-8100A for ET determinations, a calibration method was designed and implemented through laboratory and independent field measurements in Arctic and semi-arid locations. Once calibrated, the instrument was deployed June-September 2013 for diel measurements of ET on the Arctic coastal plain near Barrow, Alaska, USA. We validated the system by comparison to four adjacent plots measured by a LI-6400-09 soil CO2 flux system that was also calibrated to calculate water vapour flux. In conclusion, we determined that with calibration, the LI-8100A can make long-term, high-frequency measurements of ET, even in low flux, continuous-permafrost landscapes. This technique provides an opportunity to assess fine-scale ET and its topographic controls across low-centre and high-centre polygons and to rigorously compare such measurements with aggregate fluxes obtained with eddy covariance. Copyright (c) 2014 John Wiley & Sons, Ltd. C1 [Cohen, Lily R.; Rahn, Thom A.; Wilson, Cathy J.; Newman, Brent D.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. [Raz-Yaseef, Naama; Curtis, J. Bryan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Young, Jessica M.] Univ Alaska Fairbanks, Int Arctic Res Ctr, Fairbanks, AK 99775 USA. [Wullschleger, Stan D.] Oak Ridge Natl Lab, Climate Change Sci Inst, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Newman, BD (reprint author), Los Alamos Natl Lab, Earth & Environm Sci Div, Mail Stop J495, Los Alamos, NM 87545 USA. EM bnewman@lanl.gov RI Wullschleger, Stan/B-8297-2012; Raz Yaseef, Naama/D-3385-2015; OI Wullschleger, Stan/0000-0002-9869-0446; Raz Yaseef, Naama/0000-0002-7405-1607; Rahn, Thomas/0000-0001-8634-1348 FU Office of Biological and Environmental Research in the DOE Office of Science FX The Next-Generation Ecosystem Experiments (NGEE Arctic) project is supported by the Office of Biological and Environmental Research in the DOE Office of Science. Special thanks to LI-COR Inc. for the loan of a LI-8100A instrument. We would also like to acknowledge Marvin O. Gard for his technical assistance, UMIAQ LLC for logistical support whilst in Barrow, AK, and Victoria Sloan for vegetation expertise. NR 37 TC 0 Z9 0 U1 9 U2 31 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 2015 VL 8 IS 4 BP 652 EP 659 DI 10.1002/eco.1532 PG 8 WC Ecology; Environmental Sciences; Water Resources SC Environmental Sciences & Ecology; Water Resources GA CL0JN UT WOS:000356628900010 ER PT J AU Wu, J Botterud, A Mills, A Zhou, Z Hodge, BM Heaney, M AF Wu, Jing Botterud, Audun Mills, Andrew Zhou, Zhi Hodge, Bri-Mathias Heaney, Mike TI Integrating solar PV (photovoltaics) in utility system operations: Analytical framework and Arizona case study SO ENERGY LA English DT Article DE Solar photovoltaic; Renewable energy; Operating reserves; Unit commitment; System operation; Integration cost ID WIND AB A systematic framework is proposed to estimate the impact on operating costs due to uncertainty and variability in renewable resources. The framework quantifies the integration costs associated with subhourly variability and uncertainty as well as day-ahead forecasting errors in solar PV (photovoltaics) power. A case study illustrates how changes in system operations may affect these costs for a utility in the southwestern United States (Arizona Public Service Company). We conduct an extensive sensitivity analysis under different assumptions about balancing reserves, system flexibility, fuel prices, and forecasting errors. We find that high solar PV penetrations may lead to operational challenges, particularly during low-load and high solar periods. Increased system flexibility is essential for minimizing integration costs and maintaining reliability. In a set of sensitivity cases where such flexibility is provided, in part, by flexible operations of nuclear power plants, the estimated integration costs vary between $1.0 and $4.4/MWh-PV for a PV penetration level of 17%. The integration costs are primarily due to higher needs for hour-ahead balancing reserves to address the increased sub-hourly variability and uncertainty in the PV resource. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Wu, Jing; Botterud, Audun; Zhou, Zhi] Argonne Natl Lab, Lemont, IL 60439 USA. [Wu, Jing] Univ Chicago, Booth Sch Business, Chicago, IL 60615 USA. [Mills, Andrew] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Hodge, Bri-Mathias; Heaney, Mike] Natl Renewable Energy Lab, Golden, CO USA. RP Botterud, A (reprint author), Argonne Natl Lab, Lemont, IL 60439 USA. EM jwu7@chicagobooth.edu; abotterud@anl.gov; admills@lbl.gov; zzhou@anl.gov; Bri.Mathias.Hodge@nrel.gov; Michael.Heaney@nrel.gov RI Mills, Andrew/B-3469-2016; OI Mills, Andrew/0000-0002-9065-0458; Wu, Jing/0000-0002-0153-7710 FU U.S. Department of Energy SunShot Initiative; [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy SunShot Initiative. 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. NR 29 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 0360-5442 EI 1873-6785 J9 ENERGY JI Energy PD JUN 1 PY 2015 VL 85 BP 1 EP 9 DI 10.1016/j.energy.2015.02.043 PG 9 WC Thermodynamics; Energy & Fuels SC Thermodynamics; Energy & Fuels GA CK0IV UT WOS:000355889800001 ER PT J AU Molina, B Marchetti, F Gomez, L Ramos, S Torres, L Ortiz, R Altamirano-Lozano, M Carnevale, A Frias, S AF Molina, Bertha Marchetti, Francesco Gomez, Laura Ramos, Sandra Torres, Leda Ortiz, Rocio Altamirano-Lozano, Mario Carnevale, Alessandra Frias, Sara TI Hydroxyurea induces chromosomal damage in G2 and enhances the clastogenic effect of mitomycin C in Fanconi anemia cells SO ENVIRONMENTAL AND MOLECULAR MUTAGENESIS LA English DT Article DE chromosomal aberrations; ribonucleotide reductase; DNA repair; double strand breaks ID DNA-DAMAGE; RIBONUCLEOTIDE REDUCTASE; PROTEIN PHOSPHATASE; TUMOR-CELLS; PATHWAY; REPAIR; PHASE; REPLICATION; CYCLE; GENE AB Fanconi's anemia (FA) is a recessive disease; 16 genes are currently recognized in FA. FA proteins participate in the FA/BRCA pathway that plays a crucial role in the repair of DNA damage induced by crosslinking compounds. Hydroxyurea (HU) is an agent that induces replicative stress by inhibiting ribonucleotide reductase (RNR), which synthesizes deoxyribonucleotide triphosphates (dNTPs) necessary for DNA replication and repair. HU is known to activate the FA pathway; however, its clastogenic effects are not well characterized. We have investigated the effects of HU treatment alone or in sequential combination with mitomycin-C (MMC) on FA patient-derived lymphoblastoid cell lines from groups FA-A, B, C, D1/BRCA2, and E and on lymphocytes from two unclassified FA patients. All FA cells showed a significant increase (P<0.05) in chromosomal aberrations following treatment with HU during the last 3 h before mitosis. Furthermore, when FA cells previously exposed to MMC were treated with HU, we observed an increase of MMC-induced DNA damage that was characterized by high occurrence of DNA breaks and a reduction in rejoined chromosomal aberrations. These findings show that exposure to HU during G2 induces chromosomal aberrations by a mechanism that is independent of its well-known role in replication fork stalling during S-phase and that HU interfered mainly with the rejoining process of DNA damage. We suggest that impaired oxidative stress response, lack of an adequate amount of dNTPs for DNA repair due to RNR inhibition, and interference with cell cycle control checkpoints underlie the clastogenic activity of HU in FA cells. Environ. Mol. Mutagen. 56:457-467, 2015. (c) 2015 Wiley Periodicals, Inc. C1 [Molina, Bertha; Gomez, Laura; Ramos, Sandra; Torres, Leda; Frias, Sara] Inst Nacl Pediat, Lab Citogenet, Mexico City, DF, Mexico. [Marchetti, Francesco] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ortiz, Rocio] Univ Autonoma Metropolitana, Lab Citometria Flujo, Iztapalapa, Mexico. [Altamirano-Lozano, Mario] Univ Nacl Autonoma Mexico, Unidad Invest Genet & Toxicol UNIGEN, FES Zaragoza, Mexico City 04530, DF, Mexico. [Carnevale, Alessandra] Inst Nacl Med Genom, Subdirecc Genom Poblac, Mexico City, DF, Mexico. [Frias, Sara] Univ Nacl Autonoma Mexico, Dept Med Genom & Toxicol Ambiental, Inst Invest Biomed, Mexico City 04530, DF, Mexico. RP Frias, S (reprint author), Univ Nacl Autonoma Mexico, Lab Citogenet, Inst Nacl Pediat, Inst Invest Biomed, Insurgentes 3700-C,6 Piso Colonia Insurgentes, Mexico City 04530, DF, Mexico. EM sarafrias@biomedicas.unam.mx OI Marchetti, Francesco/0000-0002-9435-4867; Frias, Sara/0000-0002-3097-6368 FU CONACYT-SEP, "Catedra Patrimonial Nivel II" [84259, 44389] FX Grant sponsor: CONACYT-SEP, "Catedra Patrimonial Nivel II"; Grant number: 44389, 84259. NR 45 TC 0 Z9 0 U1 0 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0893-6692 EI 1098-2280 J9 ENVIRON MOL MUTAGEN JI Environ. Mol. Mutagen. PD JUN PY 2015 VL 56 IS 5 BP 457 EP 467 DI 10.1002/em.21938 PG 11 WC Environmental Sciences; Genetics & Heredity; Toxicology SC Environmental Sciences & Ecology; Genetics & Heredity; Toxicology GA CK7QC UT WOS:000356426200004 PM 25663157 ER PT J AU Otwell, AE Sherwood, RW Zhang, S Nelson, OD Li, Z Lin, HN Callister, SJ Richardson, RE AF Otwell, Anne Elyse Sherwood, Robert W. Zhang, Sheng Nelson, Ornella D. Li, Zhi Lin, Hening Callister, Stephen J. Richardson, Ruth E. TI Identification of proteins capable of metal reduction from the proteome of the Gram-positive bacterium Desulfotomaculum reducensMI-1 using an NADH-based activity assay SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SULFATE-REDUCING BACTERIA; REDUCENS STRAIN MI-1; GEOBACTER-SULFURREDUCENS; URANIUM REDUCTION; DIHYDROOROTATE DEHYDROGENASE; MICROBIAL COMMUNITIES; MASS-SPECTROMETRY; FE(III); IRON; U(VI) AB Understanding of microbial metal reduction is based almost solely on studies of Gram-negative organisms. In this study, we focus on Desulfotomaculum reducensMI-1, a Gram-positive metal reducer whose genome lacks genes with similarity to any characterized metal reductase. Using non-denaturing separations and mass spectrometry identification, in combination with a colorimetric screen for chelated Fe(III)-NTA reduction with NADH as electron donor, we have identified proteins from the D.reducens proteome not previously characterized as iron reductases. Their function was confirmed by heterologous expression in Escherichiacoli. Furthermore, we show that these proteins have the capability to reduce soluble Cr(VI) and U(VI) with NADH as electron donor. The proteins identified are NADH:flavin oxidoreductase (Dred_2421) and a protein complex composed of oxidoreductase flavin adenine dinucleotide/NAD(P)-binding subunit (Dred_1685) and dihydroorotate dehydrogenase 1B (Dred_1686). Dred_2421 was identified in the soluble proteome and is predicted to be a cytoplasmic protein. Dred_1685 and Dred_1686 were identified in both the soluble as well as the insoluble protein fraction, suggesting a type of membrane association, although PSORTb predicts both proteins are cytoplasmic. This study is the first functional proteomic analysis of D.reducens and one of the first analyses of metal and radionuclide reduction in an environmentally relevant Gram-positive bacterium. C1 [Otwell, Anne Elyse] Cornell Univ, Dept Microbiol, Ithaca, NY USA. [Nelson, Ornella D.; Li, Zhi; Lin, Hening] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY USA. [Richardson, Ruth E.] Cornell Univ, Dept Civil & Environm Engn, Ithaca, NY 14853 USA. [Sherwood, Robert W.; Zhang, Sheng] Cornell Univ, Prote & Mass Spectrometry Facil, Ithaca, NY USA. [Callister, Stephen J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Richardson, RE (reprint author), Cornell Univ, Dept Civil & Environm Engn, Ithaca, NY 14853 USA. EM rer26@cornell.edu RI Richardson, Ruth/B-8265-2017; Li, Zhi/B-4303-2015 OI Li, Zhi/0000-0003-0738-6033 FU Department of Energy's Office of Biological and Environmental Research within the Office of Science [DE-SC0006644]; Department of Energy's (DOE) Office of Biological and Environmental Research (OBER) Pan-omics program; DOE [DE-AC05-76RL01830]; National Institutes of Health/National Institute of General Medical Sciences [5T32GM008500] FX This project was funded by the Department of Energy's Office of Biological and Environmental Research within the Office of Science, project number DE-SC0006644. The Department of Energy's (DOE) Office of Biological and Environmental Research (OBER) Pan-omics program provided partial support for PNNL staff in collaboration with research activities conducted at Cornell. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated by Battelle for the DOE under contract DE-AC05-76RL01830. O.D.N is supported by National Institutes of Health/National Institute of General Medical Sciences grant 5T32GM008500. NR 40 TC 4 Z9 4 U1 2 U2 18 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 2015 VL 17 IS 6 BP 1977 EP 1990 DI 10.1111/1462-2920.12673 PG 14 WC Microbiology SC Microbiology GA CL2ZH UT WOS:000356816900011 PM 25389064 ER PT J AU Middleton, RS Levine, JS Bielicki, JM Viswanathan, HS Carey, JW Stauffer, PH AF Middleton, Richard S. Levine, Jonathan S. Bielicki, Jeffrey M. Viswanathan, Hari S. Carey, J. William Stauffer, Philip H. TI Jumpstarting commercial-scale CO2 capture and storage with ethylene production and enhanced oil recovery in the US Gulf SO GREENHOUSE GASES-SCIENCE AND TECHNOLOGY LA English DT Article DE CO2 capture; CCUS; enhanced oil recovery; ethylene ID GREENHOUSE-GAS EMISSIONS; CARBON CAPTURE; POWER-PLANTS; SHALE GAS; INFRASTRUCTURE; CHALLENGES; CCS; DEPLOYMENT; TRANSPORT; CAPACITY AB CO2 capture, utilization, and storage (CCUS) technology has yet to be widely deployed at a commercial scale despite multiple high-profile demonstration projects. We suggest that developing a large-scale, visible, and financially viable CCUS network could potentially overcome many barriers to deployment and jumpstart commercial-scale CCUS. To date, substantial effort has focused on technology development to reduce the costs of CO2 capture from coal-fired power plants. Here, we propose that near-term investment could focus on implementing CO2 capture on facilities that produce high-value chemicals/products. These facilities can absorb the expected impact of the marginal increase in the cost of production on the price of their product, due to the addition of CO2 capture, more than coal-fired power plants. A financially viable demonstration of a large-scale CCUS network requires offsetting the costs of CO2 capture by using the CO2 as an input to the production of market-viable products. We demonstrate this alternative development path with the example of an integrated CCUS system where CO2 is captured from ethylene producers and used for enhanced oil recovery in the US Gulf Coast region. (c) 2015 Society of Chemical Industry and John Wiley & Sons, Ltd C1 [Middleton, Richard S.; Viswanathan, Hari S.; Carey, J. William; Stauffer, Philip H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Bielicki, Jeffrey M.] Ohio State Univ, Columbus, OH 43210 USA. RP Middleton, RS (reprint author), Los Alamos Natl Lab, Earth & Environm Sci, POB 1663, Los Alamos, NM 87545 USA. EM rsm@lanl.gov RI Bielicki, Jeffrey/D-4239-2016; OI Bielicki, Jeffrey/0000-0001-8449-9328; Middleton, Richard/0000-0002-8039-6601 FU US-China Advanced Coal Technology Consortium (West Virginia University); Big Sky Carbon Sequestration Partnership CO2-EOR/Storage Project; US Department of Energy; US National Science Foundation Sustainable Energy Pathways grant [1230691] FX This research was funded by the US-China Advanced Coal Technology Consortium (under management of West Virginia University), the Big Sky Carbon Sequestration Partnership CO2-EOR/Storage Project that is supported by the US Department of Energy and managed by the National Energy Technology Laboratory, Los Alamos National Laboratory's LDRD program, and by the US National Science Foundation Sustainable Energy Pathways grant (1230691). NR 84 TC 2 Z9 2 U1 3 U2 15 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 2015 VL 5 IS 3 BP 241 EP 253 DI 10.1002/ghg.1490 PG 13 WC Energy & Fuels; Engineering, Environmental; Environmental Sciences SC Energy & Fuels; Engineering; Environmental Sciences & Ecology GA CL0IE UT WOS:000356624300005 ER PT J AU Bao, J Hou, ZS Fang, YL Ren, HY Lin, G AF Bao, Jie Hou, Zhangshuan Fang, Yilin Ren, Huiying Lin, Guang TI Uncertainty quantification for evaluating the impacts of fracture zone on pressure build-up and ground surface uplift during geological CO2 sequestration SO GREENHOUSE GASES-SCIENCE AND TECHNOLOGY LA English DT Article DE CO2 geological sequestration; fracture zone; uncertainty quantification; numerical simulation ID REDUCED-ORDER MODELS; SENSITIVITY-ANALYSIS; INJECTION WELL; FAULT-SLIP; FLUID-FLOW; CAPROCK; PERMEABILITY; BOXPLOT; STORAGE; VALUES AB A series of numerical test cases reflecting broad and realistic ranges of geological formation and fracture zone properties was developed to systematically evaluate the impacts of fracture zone on pressure build-up and ground surface uplift during CO2 injection. Numerical test cases were conducted using a coupled hydro-geomechanical simulator, eSTOMP-RBSM (extreme-scale Subsurface Transport over Multiple Phases, rigid-body-spring model). For efficient sensitivity analysis and reliable construction of a reduced-order model, a quasi-Monte Carlo sampling method was applied to effectively sample a high-dimensional input parameter space to explore uncertainties associated with hydrologic properties. The uncertainty quantification results show that the impacts on geomechanical response from the fracture zone mainly depend on reservoir and fracture zone permeability. When the fracture zone permeability is two to three orders of magnitude smaller than the reservoir permeability, the fracture zone can be considered as an impermeable block that resists fluid transport in the reservoir, which causes pressure increase near the fracture zone. When the fracture zone permeability is close to the reservoir permeability, or higher than 10(-15) m(2) in this study, the fracture zone can be considered as a conduit that penetrates the caprock, connecting the fluid flow between the reservoir and the upper rock.(c) 2014 Society of Chemical Industry and John Wiley & Sons, Ltd C1 [Bao, Jie] Pacific NW Natl Lab, Expt & Computat Engn Grp, Richland, WA 99352 USA. [Hou, Zhangshuan] Pacific NW Natl Lab, Richland, WA 99352 USA. [Fang, Yilin] Pacific NW Natl Lab, Hydrol Grp, Richland, WA 99352 USA. [Ren, Huiying] Pacific NW Natl Lab, Hydrol Grp, Earth Syst Sci Div, Richland, WA 99352 USA. [Lin, Guang] Pacific NW Natl Lab, Computat Math Grp, Richland, WA 99352 USA. RP Bao, J (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Expt & Computat Engn Grp, Richland, WA 99352 USA. EM jie.bao@pnnl.gov RI Fang, Yilin/J-5137-2015; Hou, Zhangshuan/B-1546-2014 OI Hou, Zhangshuan/0000-0002-9388-6060 FU Pacific Northwest National Laboratory (PNNL) Carbon Sequestration Initiative part of the PNNL Laboratory Directed Research and Development Program; US Department of Energy [DE-AC05-76RL01830] FX This research has been accomplished and funded through the Pacific Northwest National Laboratory (PNNL) Carbon Sequestration Initiative, which is part of the PNNL Laboratory Directed Research and Development Program. A portion of this research was performed using the resources of the PNNL Institutional Computing program. PNNL is operated by Battelle for the US Department of Energy under Contract DE-AC05-76RL01830. NR 54 TC 0 Z9 0 U1 0 U2 8 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 2015 VL 5 IS 3 BP 254 EP 267 DI 10.1002/ghg.1456 PG 14 WC Energy & Fuels; Engineering, Environmental; Environmental Sciences SC Energy & Fuels; Engineering; Environmental Sciences & Ecology GA CL0IE UT WOS:000356624300006 ER PT J AU Derr, K Manic, M AF Derr, Kurt Manic, Milos TI Wireless Sensor Networks-Node Localization for Various Industry Problems SO IEEE TRANSACTIONS ON INDUSTRIAL INFORMATICS LA English DT Article DE Delaunay triangulation; mesh generation; mesh network; sensor node (SN); topology; wireless sensor network (WSN) ID ALGORITHMS; DEPLOYMENT; TRACKING AB Fast and effective monitoring following airborne releases of toxic substances is critical to mitigate risks to threatened population areas. Electrically powered systems in industrial settings require monitoring of emitted electromagnetic fields to determine the status of the equipment and ensure their safe operation. In situations such as these, wireless sensor nodes (WSNs) at fixed predetermined locations provide monitoring to ensure safety. A challenging algorithmic problem is determining the locations to place these WSNs while meeting several criteria: 1) to provide complete coverage of the domain; 2) to create a topology with problem-dependent node densities; and 3) to minimize the number of WSNs. This paper presents a novel approach, advancing front mesh generation with constrained Delaunay triangulation and smoothing (AFECETS) that addresses these criteria. A unique aspect of AFECETS is the ability to determine WSN locations for areas of high interest (hospitals, schools, and high population density areas) that require higher density of nodes for monitoring environmental conditions, a feature that is difficult to find in other research work. The AFECETS algorithm was tested on several arbitrary shaped domains. AFECETS simulation results show that the algorithm provides significant reduction in the number of nodes, in some cases over 40%, compared with an advancing front mesh generation algorithm; maintains and improves optimal spacing between nodes; and produces simulation run times suitable for real-time applications. C1 [Derr, Kurt] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Manic, Milos] Virginia Commonwealth Univ, Richmond, VA 23284 USA. RP Derr, K (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM kurt.derr@inl.gov; misko@ieee.org NR 37 TC 5 Z9 5 U1 2 U2 19 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1551-3203 EI 1941-0050 J9 IEEE T IND INFORM JI IEEE Trans. Ind. Inform. PD JUN PY 2015 VL 11 IS 3 BP 752 EP 762 DI 10.1109/TII.2015.2396007 PG 11 WC Automation & Control Systems; Computer Science, Interdisciplinary Applications; Engineering, Industrial SC Automation & Control Systems; Computer Science; Engineering GA CK4GA UT WOS:000356180000020 ER PT J AU DeGeorge, V Devaraj, A Keylin, V Cui, J McHenry, ME AF DeGeorge, Vincent Devaraj, Arun Keylin, Vladimir Cui, Jun McHenry, Michael E. TI Mass Balance and Atom Probe Tomography Characterization of Soft Magnetic (Fe65Co35)(79.5)B13Si2Nb4Cu1.5 Nanocomposites SO IEEE TRANSACTIONS ON MAGNETICS LA English DT Article DE Amorphous magnetic materials; chemical analysis; nanocomposites; nanostructured materials; nanotopography ID HIGH-FREQUENCY; ALLOYS; CRYSTALLIZATION; KINETICS; NANOCRYSTALLIZATION AB Electric and magnetic properties, including saturation induction, resistivity, Curie temperature, and others, that make soft magnetic materials attractive for applications such as power converters and electric machines depend on local alloy composition. In this paper, we address this dependence quantifiably. First, we correlate the crystallization state to local composition with a novel mass balance. Second, we perform atom probe tomography on (Fe65Co35)(79.5)B13Si2Nb4Cu1.5 magnetic nanocomposites to explore local compositional evolution with devitrification and test predictions. Precise 3-D atom maps of constituent elements are constructed from as-cast, intermediate, and late stage crystallized samples. Local compositions and final crystal fraction predicted from mass balances are tested. Analysis of chemical partitioning during growth quantifies the depletion of glass formers (GFs) in nanocrystals, and enrichment of GFs and depletion of Fe and Co in the amorphous phase. Finally, we demonstrate the direct measurement of local composition on a nanometer scale and present predictive models necessary to deduce intrinsic constituent phase properties and investigate the proposed shell interfacial phases. C1 [DeGeorge, Vincent; Keylin, Vladimir; McHenry, Michael E.] Carnegie Mellon Univ, Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Devaraj, Arun; Cui, Jun] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. RP DeGeorge, V (reprint author), Carnegie Mellon Univ, Mat Sci & Engn, Pittsburgh, PA 15213 USA. EM vdegeorg@andrew.cmu.edu FU Advanced Research Projects Agency-Energy [FOA-0000474]; Pacific Northwest National Laboratory (PNNL) Multiscale Synthesis and Simulation Initiative; U.S. Department of Energy [DE-AC05-76RL01830]; DOE Office of Biological and Environmental Research and is a part of the Chemical Imaging Initiative FX This work was supported in part by Advanced Research Projects Agency-Energy under Grant FOA-0000474, in part by Pacific Northwest National Laboratory (PNNL) Multiscale Synthesis and Simulation Initiative, and in part by Environmental Molecular Sciences Laboratory (EMSL), located at PNNL, a multiprogram national laboratory operated by Battelle Memorial Institute, under Contract DE-AC05-76RL01830, for the U.S. Department of Energy. A portion of the research described here was performed using EMSL, a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research and is a part of the Chemical Imaging Initiative conducted under the Laboratory Directed Research and Development Program at the Pacific Northwest National Laboratory (PNNL). NR 27 TC 0 Z9 0 U1 4 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9464 EI 1941-0069 J9 IEEE T MAGN JI IEEE Trans. Magn. PD JUN PY 2015 VL 51 IS 6 AR 2001704 DI 10.1109/TMAG.2014.2373333 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA CK8VF UT WOS:000356516600002 ER PT J AU Li, HM Gong, GH Pan, WB Du, Q Li, JM AF Li, Hongming Gong, Guanghua Pan, Weibin Du, Qiang Li, Jianmin TI Temperature Effect on White Rabbit Timing Link SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 19th Real Time Conference (RT) CY MAY 26-30, 2014 CL Nara, JAPAN SP Osaka Univ, Res Nucl Phys DE Correction; synchronization; temperature coefficient AB White Rabbit (WR) technology combines gigabit Ethernet data transfer with synchronization at subnanosecond accuracy and picoseconds precision over the same fiber medium. In some applications, the WR link must maintain the synchronization accuracy over a wide temperature range. The temperature effect on a WR link is measured, and contributions from different components like optical fiber, optical transceiver, and fixed delay onboard are separately studied and analyzed. An online real-time temperature correction method is introduced to reduce the influence on synchronization accuracy of the onboard temperature variation. C1 [Li, Hongming; Gong, Guanghua; Pan, Weibin; Li, Jianmin] Tsinghua Univ, Minist Educ, Key Lab Particle & Radiat Imaging, Beijing 100084, Peoples R China. [Gong, Guanghua] Chinese Acad Sci, State Key Lab Particle Detect & Elect, Inst High Energy Phys, Beijing 100084, Peoples R China. [Gong, Guanghua] Univ Sci & Technol China, Beijing 100084, Peoples R China. [Du, Qiang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Engn, Berkeley, CA 94720 USA. RP Li, HM (reprint author), Tsinghua Univ, Minist Educ, Key Lab Particle & Radiat Imaging, Beijing 100084, Peoples R China. EM lihm.thu@gmail.com; ggh@tsinghua.edu.cn OI hongming, li/0000-0003-0658-2809 FU National Science Foundation of China [11275111]; State Key Laboratory of Particle Detection and Electronics; Open Research Foundation of State Key Laboratory of Digital Manufacturing Equipment and Technology in the Huazhong University of Science and Technology, Beijing, China FX This work was supported in part by the National Science Foundation of China under Grant 11275111, the State Key Laboratory of Particle Detection and Electronics, the Open Research Foundation of State Key Laboratory of Digital Manufacturing Equipment and Technology in the Huazhong University of Science and Technology, Beijing, China. NR 15 TC 1 Z9 1 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD JUN PY 2015 VL 62 IS 3 BP 1021 EP 1026 DI 10.1109/TNS.2015.2425659 PN 2 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA CK7ZZ UT WOS:000356458000022 ER PT J AU Bawej, T Behrens, U Branson, J Chaze, O Cittolin, S Darlea, GL Deldicque, C Dobson, M Dupont, A Erhan, S Forrest, A Gigi, D Glege, F Gomez-Ceballos, G Gomez-Reino, R Hegeman, J Holzner, A Masetti, L Meijers, F Meschi, E Mommsen, RK Morovic, S Nunez-Barranco-Fernandez, C O'Dell, V Orsini, L Paus, C Petrucci, A Pieri, M Racz, A Sakulin, H Schwick, C Stieger, B Sumorok, K Veverka, J Wakefield, CC Zejdl, P AF Bawej, Tomasz Behrens, Ulf Branson, James Chaze, Olivier Cittolin, Sergio Darlea, Georgiana-Lavinia Deldicque, Christian Dobson, Marc Dupont, Aymeric Erhan, Samim Forrest, Andrew Gigi, Dominique Glege, Frank Gomez-Ceballos, Guillelmo Gomez-Reino, Robert Hegeman, Jeroen Holzner, Andre Masetti, Lorenzo Meijers, Frans Meschi, Emilio Mommsen, Remigius K. Morovic, Srecko Nunez-Barranco-Fernandez, Carlos O'Dell, Vivian Orsini, Luciano Paus, Christoph Petrucci, Andrea Pieri, Marco Racz, Attila Sakulin, Hannes Schwick, Christoph Stieger, Benjamin Sumorok, Konstanty Veverka, Jan Wakefield, Christopher C. Zejdl, Petr TI Achieving High Performance With TCP Over 40 GbE on NUMA Architectures for CMS Data Acquisition SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 19th Real Time Conference (RT) CY MAY 26-30, 2014 CL Nara, JAPAN SP Osaka Univ, Res Nucl Phys DE Data acquisition systems; data communication; distributed computing; fast networks; high energy physics computing; software performance AB TCP and the socket abstraction have barely changed over the last two decades, but at the network layer there has been a giant leap from a few megabits to 100 gigabits in bandwidth. At the same time, CPU architectures have evolved into the multi-core era and applications are expected to make full use of all available resources. Applications in the data acquisition domain based on the standard socket library running in a Non-Uniform Memory Access (NUMA) architecture are unable to reach full efficiency and scalability without the software being adequately aware about the IRQ (Interrupt Request), CPU and memory affinities. During the first long shutdown of LHC, the CMS DAQ system is going to be upgraded for operation from 2015 onwards and a new software component has been designed and developed in the CMS online framework for transferring data with sockets. This software attempts to wrap the low-level socket library to ease higher-level programming with an API based on an asynchronous event driven model similar to the DAT uDAPL API. It is an event-based application with NUMA optimizations, that allows for a high throughput of data across a large distributed system. This paper describes the architecture, the technologies involved and the performance measurements of the software in the context of the CMS distributed event building. C1 [Bawej, Tomasz; Chaze, Olivier; Deldicque, Christian; Dobson, Marc; Dupont, Aymeric; Forrest, Andrew; Gigi, Dominique; Glege, Frank; Gomez-Reino, Robert; Hegeman, Jeroen; Masetti, Lorenzo; Meijers, Frans; Meschi, Emilio; Morovic, Srecko; Nunez-Barranco-Fernandez, Carlos; Orsini, Luciano; Petrucci, Andrea; Racz, Attila; Sakulin, Hannes; Schwick, Christoph; Stieger, Benjamin; Wakefield, Christopher C.; Zejdl, Petr] CERN, CH-1211 Geneva 23, Switzerland. [Behrens, Ulf] DESY, D-22607 Hamburg, Germany. [Branson, James; Cittolin, Sergio; Holzner, Andre; Pieri, Marco] Univ Calif San Diego, La Jolla, CA 92093 USA. [Darlea, Georgiana-Lavinia; Gomez-Ceballos, Guillelmo; Paus, Christoph; Sumorok, Konstanty; Veverka, Jan] MIT, Cambridge, MA 02139 USA. [Erhan, Samim] Univ Calif Los Angeles, Los Angeles, CA USA. [Mommsen, Remigius K.; O'Dell, Vivian] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Bawej, T (reprint author), CERN, CH-1211 Geneva 23, Switzerland. EM Andrea.Petrucci@cern.ch FU DOE; NSF (USA); Marie Curie Program FX This work was supported in part by the DOE and NSF (USA) and the Marie Curie Program. NR 15 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 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD JUN PY 2015 VL 62 IS 3 BP 1091 EP 1098 DI 10.1109/TNS.2015.2409898 PN 2 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA CK7ZZ UT WOS:000356458000033 ER PT J AU Bawej, T Behrens, U Branson, J Chaze, O Cittolin, S Darlea, GL Deldicque, C Dobson, M Dupont, A Erhan, S Forrest, A Gigi, D Glege, F Gomez-Ceballos, G Gomez-Reino, R Hegeman, J Holzner, A Masetti, L Meijers, F Meschi, E Mommsen, RK Morovic, S Nunez-Barranco-Fernandez, C O'Dell, V Orsini, L Paus, C Petrucci, A Pieri, M Racz, A Sakulin, H Schwick, C Stieger, B Sumorok, K Veverka, J Zejdl, P AF Bawej, Tomasz Behrens, Ulf Branson, James Chaze, Olivier Cittolin, Sergio Darlea, Georgiana-Lavinia Deldicque, Christian Dobson, Marc Dupont, Aymeric Erhan, Samim Forrest, Andrew Gigi, Dominique Glege, Frank Gomez-Ceballos, Guillelmo Gomez-Reino, Robert Hegeman, Jeroen Holzner, Andre Masetti, Lorenzo Meijers, Frans Meschi, Emilio Mommsen, Remigius K. Morovic, Srecko Nunez-Barranco-Fernandez, Carlos O'Dell, Vivian Orsini, Luciano Paus, Christoph Petrucci, Andrea Pieri, Marco Racz, Attila Sakulin, Hannes Schwick, Christoph Stieger, Benjamin Sumorok, Konstanty Veverka, Jan Zejdl, Petr TI The New CMS DAQ System for Run-2 of the LHC SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article; Proceedings Paper CT 19th Real Time Conference (RT) CY MAY 26-30, 2014 CL Nara, JAPAN SP Osaka Univ, Res Nucl Phys DE Data acquisition; high energy physics ID NETWORKS AB The data acquisition (DAQ) system of the CMS experiment at the CERN Large Hadron Collider assembles events at a rate of 100 kHz, transporting event data at an aggregate throughput of 100 GB/s to the high level trigger (HLT) farm. The HLT farm selects interesting events for storage and offline analysis at a rate of around 1 kHz. The DAQ system has been redesigned during the accelerator shutdown in 2013/14. The motivation is twofold: Firstly, the current compute nodes, networking, and storage infrastructure will have reached the end of their lifetime by the time the LHC restarts. Secondly, in order to handle higher LHC luminosities and event pileup, a number of sub-detectors will be upgraded, increasing the number of readout channels and replacing the off-detector readout electronics with a mu TCA implementation. The new DAQ architecture will take advantage of the latest developments in the computing industry. For data concentration, 10/40 Gb/s Ethernet technologies will be used, as well as an implementation of a reduced TCP/IP in FPGA for a reliable transport between custom electronics and commercial computing hardware. A Clos network based on 56 Gb/s FDR Infiniband has been chosen for the event builder with a throughput of similar to 4 Tb/s. The HLT processing is entirely file based. This allows the DAQ and HLT systems to be independent, and to use the HLT software in the same way as for the offline processing. The fully built events are sent to the HLT with 1/10/40 Gb/s Ethernet via network file systems. Hierarchical collection of HLT accepted events and monitoring meta-data are stored into a global file system. This paper presents the requirements, technical choices, and performance of the new system. C1 [Bawej, Tomasz; Chaze, Olivier; Deldicque, Christian; Dobson, Marc; Dupont, Aymeric; Forrest, Andrew; Gigi, Dominique; Glege, Frank; Gomez-Reino, Robert; Hegeman, Jeroen; Masetti, Lorenzo; Meijers, Frans; Meschi, Emilio; Morovic, Srecko; Nunez-Barranco-Fernandez, Carlos; Orsini, Luciano; Petrucci, Andrea; Racz, Attila; Sakulin, Hannes; Schwick, Christoph; Stieger, Benjamin; Zejdl, Petr] CERN, CH-1211 Geneva, Switzerland. [Behrens, Ulf] DESY, D-22607 Hamburg, Germany. [Branson, James; Cittolin, Sergio; Holzner, Andre; Pieri, Marco] Univ Calif San Diego, La Jolla, CA 92093 USA. [Darlea, Georgiana-Lavinia; Gomez-Ceballos, Guillelmo; Paus, Christoph; Sumorok, Konstanty; Veverka, Jan] MIT, Cambridge, MA 02139 USA. [Erhan, Samim] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Mommsen, Remigius K.; O'Dell, Vivian] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Bawej, T (reprint author), CERN, CH-1211 Geneva, Switzerland. EM hannes.sakulin@cern.ch OI Meschi, Emilio/0000-0003-4502-6151 FU Department of Energy (DOE); National Science Foundation (NSF) (USA) FX This work was supported in part by the Department of Energy (DOE) and the National Science Foundation (NSF) (USA). NR 18 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 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD JUN PY 2015 VL 62 IS 3 BP 1099 EP 1103 DI 10.1109/TNS.2015.2426216 PN 2 PG 5 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA CK7ZZ UT WOS:000356458000034 ER PT J AU Ianakiev, KD Boyer, BD Goda, JM Hill, TR Moss, CE Nguyen, H Parker, RF Paffett, MT Nolen, BP Swinhoe, MT AF Ianakiev, K. D. Boyer, B. D. Goda, J. M. Hill, T. R. Moss, C. E. Nguyen, H. Parker, R. F. Paffett, M. T. Nolen, B. P. Swinhoe, M. T. TI Advanced Enrichment Monitoring Technology Based on Transmission Measurements with an X-ray Source and NaI(Tl) Spectrometer SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Enrichment monitoring; GCEP; uranium hexafluoride; x-ray tube AB In this paper, we report our progress toward the development of an advanced enrichment monitoring technology for safeguarding gas centrifuge enrichment plants. We compare the UF6 gas pipe attenuation and sensitivity to X-ray tube HV variations for two transmission energies: 22 keV and 25.5 keV. The first experimental enrichment results taken with a static gaseous source and X-ray tube based transmission source over a wide gas pressure range are presented. C1 [Ianakiev, K. D.; Boyer, B. D.; Goda, J. M.; Hill, T. R.; Moss, C. E.; Nguyen, H.; Parker, R. F.; Paffett, M. T.; Nolen, B. P.; Swinhoe, M. T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Ianakiev, KD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM ianakiev@lanl.gov; bboyer@lanl.gov; jgoda@lanl.gov; tomhill@lanl.gov; cmoss@lanl.gov; hnguyen@lanl.gov; rfparker@lanl.gov; mtp@lanl.gov; bnolen@lanl.gov; swinhoe@lanl.gov OI Ianakiev, Kiril/0000-0002-5074-0715 FU U.S. Department of Energy National Nuclear Security Administration Office of Nuclear Noncompliance Verification [NA-241]; Office for Nonproliferation Research and Development [NA-22] FX This work was supported in part by the U.S. Department of Energy National Nuclear Security Administration Office of Nuclear Noncompliance Verification (NA-241) and by the Office for Nonproliferation Research and Development (NA-22). NR 9 TC 0 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 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD JUN PY 2015 VL 62 IS 3 BP 1207 EP 1211 DI 10.1109/TNS.2015.2424697 PN 3 PG 5 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA CK8AP UT WOS:000356459900001 ER PT J AU Fochuk, P Nakonechnyi, I Panchuk, O Kopach, O Nykonyuk, Y Grill, R Belas, E Kim, KH Bolotnikov, AE Yang, G James, RB AF Fochuk, P. Nakonechnyi, I. Panchuk, O. Kopach, O. Nykonyuk, Y. Grill, R. Belas, E. Kim, K. H. Bolotnikov, A. E. Yang, G. James, R. B. TI Changes in the Electrical Parameters of CdTe-based Crystals During Isothermal Annealing SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Annealing; Cd0.9Zn0.1Te; component overpressure; crystals; inclusions ID DETECTOR; CDZNTE AB We observed a novel unanticipated effect in CdTe, Cd1-xZnxTe and Cd1-xMnxTe crystals whilst we were measuring the dependences of several electrical properties (e.g., specific conductivity and free-carrier density) over time. During isothermal annealing under constant thermodynamic conditions (temperatures of 450-500 degrees C and under maximal cadmium-vapor pressure), we recorded a jump-like increase in the conductivity after some similar to 1 - 2 hours of heating required to stabilize the sample's electric parameters. The values of specific conductivity and free-carrier density suddenly increased by up to tenfold, and they persisted at those levels during further ageing. At the same time, the sample's conductivity became insensitive to stoichiometric changes in the crystal. We explain this effect as reflecting a sudden reformatting of the sample's native/foreign point-defect structure. This transformation is evaluated and mathematically approximated within the framework of our model of the melting of Te-containing second-phase particles; this process releases impurities from within the particles. The respective diffusion "clouds" grow, and at the moment of their mutual percolation (infiltration), a peculiar "short circuit" is observed with striking changes in the crystals' electrical parameters. C1 [Fochuk, P.; Nakonechnyi, I.; Panchuk, O.; Kopach, O.] Chernivtsi Natl Univ, UA-58000 Chernovtsy, Ukraine. [Nykonyuk, Y.] Natl Univ Water Management & Nat Resources Applic, Rivne, Ukraine. [Grill, R.; Belas, E.] Charles Univ Prague, Fac Math & Phys, Prague 11636, Czech Republic. [Bolotnikov, A. E.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Kim, K. H.] Korea Univ, Radiol Sci Seoul, Seoul 136701, South Korea. RP Fochuk, P (reprint author), Chernivtsi Natl Univ, UA-58000 Chernovtsy, Ukraine. EM p.fochuk@chnu.edu.ua; semirivne@gmail.com; grill@karlov.mff.cuni.cz; khkim1@korea.ac.kr; bolotnik@bnl.gov; gyang@bnl.gov; rjames@bnl.gov RI Fochuk, Petro/D-9409-2016; Panchuk, Oleg/C-1764-2017; Kopach, Oleh/C-3993-2017; OI Fochuk, Petro/0000-0002-4149-4882; Panchuk, Oleg/0000-0003-3906-1858; Kopach, Oleh/0000-0002-1513-5261; Nakonechnyi, Igor/0000-0003-3955-2833; Grill, Roman/0000-0002-4615-8909 FU Science@Technology Center of Ukraine [P406]; U. S. Department of Energy; DOE/NNSA DNN RD FX This work was supported in part by the Science@Technology Center of Ukraine under project P406 with the U. S. Department of Energy and by DOE/NNSA DNN R&D. NR 18 TC 1 Z9 1 U1 1 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD JUN PY 2015 VL 62 IS 3 BP 1239 EP 1243 DI 10.1109/TNS.2015.2424720 PN 3 PG 5 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA CK8AP UT WOS:000356459900006 ER PT J AU Hoff, JR Deptuch, GW Wu, GY Gui, P AF Hoff, J. R. Deptuch, G. W. Wu, Guoying Gui, Ping TI Cryogenic Lifetime Studies of 130 nm and 65 nm nMOS Transistors for High-Energy Physics Experiments SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Cryogenic electronics; degradation; hot-carrier degradation; MOSFET ID 77 K; CMOS; DEGRADATION AB The Deep Underground Neutrino Experiment will use unsurpassed quantities of liquid argon to fill a time projection chamber. Research is under way to place the electronics inside the cryostat. For reasons of efficiency and economics, the lifetimes of these circuits must be well in excess of 20 years. The principle mechanism for lifetime degradation of MOSFET devices and circuits operating at cryogenic temperatures is hot carrier degradation. It is therefore imperative that studies be performed in candidate technologies to explore hot carrier degradation and to determine if such technologies are suitable for these rigorous requirements. In this paper, 130 nm and 65 nm nMOS transistors operating at cryogenic temperatures are examined. The results show that both technologies achieve the lifetimes required by the experiment. Minimal design changes are necessary in the case of the 130 nm process and no changes whatsoever are necessary for the 65 nm process. C1 [Hoff, J. R.; Deptuch, G. W.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Wu, Guoying; Gui, Ping] So Methodist Univ, Dallas, TX 75205 USA. RP Hoff, JR (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM jimhoff@fnal.gov; deptuch@fnal.gov; gwu@smu.edu; gui@smu.edu FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of Energy FX This work was supported by Fermi Research Alliance, LLC under Contract DE-AC02-07CH11359 with the U.S. Department of Energy. NR 24 TC 1 Z9 1 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD JUN PY 2015 VL 62 IS 3 BP 1255 EP 1261 DI 10.1109/TNS.2015.2433793 PN 3 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA CK8AP UT WOS:000356459900009 ER PT J AU Braverman, JB Fabris, L Newby, J Hornback, D Ziock, KP AF Braverman, J. B. Fabris, L. Newby, J. Hornback, D. Ziock, K. P. TI Three-Dimensional Event Localization in Bulk Scintillator Crystals Using Optical Coded Apertures SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Coded aperture imaging; Gamma-ray detector; position-sensitive detector; scintillation detector AB Scintillator-based detectors are among the most commonly used methods for detecting ionizing radiation. Scintillators provide a reliable, cost-effective, and simple way to make large-volume detectors. Furthermore, localizing the position of the interactions in three dimensions within the crystals is useful to a wide array of fields. The most straightforward way of doing this is to pair the crystal with a position-sensitive phototransducer (PT). This allows for measurement of the shape of the light spot at the PT plane. Using this information, various methods exist to localize the gamma-ray interaction in the crystal; however, the position resolution worsens the farther the event occurs from the PT plane. To improve on the localization ability, this work uses an optical coded-aperture shadow mask between the crystal and the PT. The recorded detector response is used in reconstructing the event over the entire depth of the crystal, and the "sharpest" reconstructed image gives an event's depth. The lateral position is given from the standard coded-aperture image reconstruction. Experimental results obtained by emulating a 26-mm-thick crystal using a thin 1-mm-thick NaI(Tl) crystal and different amounts of light pipe between the crystal and the PT plane achieved similar to 1 to 2-mm resolution in all three dimensions throughout most of the 26-mm-thick crystal. C1 [Braverman, J. B.; Ziock, K. P.] Univ Tennessee, Knoxville, TN 37996 USA. [Fabris, L.; Newby, J.; Hornback, D.; Ziock, K. P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Braverman, JB (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM jbbrave@sandia.gov RI Fabris, Lorenzo/E-4653-2013; OI Fabris, Lorenzo/0000-0001-5605-5615; Newby, Robert/0000-0003-3571-1067 FU U.S. Department of Energy by Oak Ridge National Laboratory [DE-AC05-00OR22725] FX This work was performed under the auspices of the U.S. Department of Energy by Oak Ridge National Laboratory under Contract DE-AC05-00OR22725. NR 9 TC 0 Z9 0 U1 1 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD JUN PY 2015 VL 62 IS 3 BP 1405 EP 1412 DI 10.1109/TNS.2015.2421411 PN 3 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA CK8AP UT WOS:000356459900028 ER PT J AU Beck, PR Payne, SA Hunter, S Ahle, L Cherepy, NJ Swanberg, EL AF Beck, Patrick R. Payne, Stephen A. Hunter, Steven Ahle, Larry Cherepy, Nerine J. Swanberg, Erik L. TI Nonproportionality of Scintillator Detectors. V. Comparing the Gamma and Electron Response SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Gamma ray detectors; luminescence; solid scintillation detectors ID LIGHT YIELD NONPROPORTIONALITY; INTRINSIC ENERGY RESOLUTION; NON-PROPORTIONALITY; COMPTON ELECTRONS; CRYSTALS; NAI(T1); CSI(NA) AB This paper is the fifth in a series of articles on the basic physics of light yield nonproportionality in scintillators. Here, we compare and contrast the nonproportionality as registered by gamma rays and high-energy electrons. As has been noted in the past, these two types of data have different curve shapes (for plots of the light yield against electron or gamma energy). Herein, we show how the experimental gamma nonproportionality curve can be calculated from the electron response by accounting for the distribution of high energy electrons created by the gamma photon via the photoelectric interaction. Similarly, we measure and model the gamma-induced resolution as a function of energy and compare this data to predictions from our model. The utility of the model is explored using data acquired with the scintillators SrI2(Eu), GYGAG(Ce) and CsI(Na). C1 [Beck, Patrick R.; Payne, Stephen A.; Hunter, Steven; Ahle, Larry; Cherepy, Nerine J.; Swanberg, Erik L.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Beck, PR (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM payne3@llnl.gov RI Cherepy, Nerine/F-6176-2013 OI Cherepy, Nerine/0000-0001-8561-923X FU National Nuclear Security Administration, Defense Nuclear Nonproliferation Research and Development Office of the U.S. DOE [DE-AC03-76SF00098]; U.S. DOE by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was supported by the National Nuclear Security Administration, Defense Nuclear Nonproliferation Research and Development Office of the U.S. DOE under Contract DE-AC03-76SF00098, and was performed under the auspices of the U.S. DOE by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 30 TC 2 Z9 2 U1 4 U2 14 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD JUN PY 2015 VL 62 IS 3 BP 1429 EP 1436 DI 10.1109/TNS.2015.2414357 PN 3 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA CK8AP UT WOS:000356459900031 ER PT J AU Govardhan, G Nanjundiah, RS Satheesh, SK Krishnamoorthy, K Kotamarthi, VR AF Govardhan, Gaurav Nanjundiah, Ravi S. Satheesh, S. K. Krishnamoorthy, K. Kotamarthi, V. R. TI Performance of WRF-Chem over Indian region: Comparison with measurements SO JOURNAL OF EARTH SYSTEM SCIENCE LA English DT Article DE Aerosols; black carbon; modelling ID BLACK CARBON AEROSOLS; GENERAL-CIRCULATION MODEL; ASIAN SUMMER MONSOON; GOCART MODEL; FOSSIL-FUEL; CLIMATE; SENSITIVITY; SIMULATION; SATELLITE; PARAMETERIZATION AB The aerosol mass concentrations over several Indian regions have been simulated using the online chemistry transport model, WRF-Chem, for two distinct seasons of 2011, representing the pre-monsoon (May) and post-monsoon (October) periods during the Indo-US joint experiment 'Ganges Valley Aerosol Experiment (GVAX)'. The simulated values were compared with concurrent measurements. It is found that the model systematically underestimates near-surface BC mass concentrations as well as columnar Aerosol Optical Depths (AODs) from the measurements. Examining this in the light of the model-simulated meteorological parameters, we notice the model overestimates both planetary boundary layer height (PBLH) and surface wind speeds, leading to deeper mixing and dispersion and hence lower surface concentrations of aerosols. Shortcoming in simulating rainfall pattern also has an impact through the scavenging effect. It also appears that the columnar AODs are influenced by the unrealistic emission scenarios in the model. Comparison with vertical profiles of BC obtained from aircraft-based measurements also shows a systematic underestimation by the model at all levels. It is seen that concentration of other aerosols, viz., dust and sea-salt are closely linked with meteorological conditions prevailing over the region. Dust is higher during pre-monsoon periods due to the prevalence of north-westerly winds that advect dust from deserts of west Asia into the Indo-Gangetic plain. Winds and rainfall influence sea-salt concentrations. Thus, the unrealistic simulation of wind and rainfall leads to model simulated dust and sea-salt also to deviate from the real values; which together with BC also causes underperformance of the model with regard to columnar AOD. It appears that for better simulations of aerosols over Indian region, the model needs an improvement in the simulation of the meteorology. C1 [Govardhan, Gaurav; Nanjundiah, Ravi S.; Satheesh, S. K.] Indian Inst Sci, Ctr Atmospher & Ocean Sci, Bengaluru 560012, Karnataka, India. [Nanjundiah, Ravi S.; Satheesh, S. K.] Indian Inst Sci, Divecha Ctr Climate Change, Bengaluru 560012, Karnataka, India. [Krishnamoorthy, K.] Indian Space Res Org Headquarters, Bengaluru 560231, India. [Kotamarthi, V. R.] Argonne Natl Lab, Div Environm Sci, Climate Res Sect, Argonne, IL 60439 USA. RP Nanjundiah, RS (reprint author), Indian Inst Sci, Ctr Atmospher & Ocean Sci, Bengaluru 560012, Karnataka, India. EM ravi@caos.iisc.ernet.in NR 70 TC 4 Z9 4 U1 2 U2 10 PU INDIAN ACAD SCIENCES PI BANGALORE PA C V RAMAN AVENUE, SADASHIVANAGAR, P B #8005, BANGALORE 560 080, INDIA SN 0253-4126 EI 0973-774X J9 J EARTH SYST SCI JI J. Earth Syst. Sci. PD JUN PY 2015 VL 124 IS 4 BP 875 EP 896 DI 10.1007/s12040-015-0576-7 PG 22 WC Geosciences, Multidisciplinary; Multidisciplinary Sciences SC Geology; Science & Technology - Other Topics GA CK8AB UT WOS:000356458200015 ER PT J AU Grosse, AM Crawford, BA Maerz, JC Buhlmann, KA Norton, T Kaylor, M Tuberville, TD AF Grosse, Andrew M. Crawford, Brian A. Maerz, John C. Buhlmann, Kurt A. Norton, Terry Kaylor, Michelle Tuberville, Tracey D. TI Effects of Vegetation Structure and Artificial Nesting Habitats on Hatchling Sex Determination and Nest Survival of Diamondback Terrapins SO JOURNAL OF FISH AND WILDLIFE MANAGEMENT LA English DT Article DE diamondback terrapin; nesting habitat; nest survival; predation; sex determination ID MALACLEMYS-TERRAPIN; LANDSCAPE COMPOSITION; SITE SELECTION; TURTLES; PREDATION; POPULATION; CONSERVATION; MANAGEMENT; AROMATASE; CENTRATA AB It is often the case that multiple factors contribute to wildlife population declines such that management will require simultaneous, integrated interventions to stabilize and recover populations. Diamondback terrapins Malaclemys terrapin are a species of high conservation priority, and local populations can be threatened by multiple factors, including bycatch in commercial and recreational crab pots, vehicle strikes on coastal roads, nest depredation from subsidized and introduced predators, and terrestrial habitat alteration. Mitigation of just one of these factors will often be insufficient for recovering at-risk populations; thus, information to manage multiple threats is needed. We measured the effects of natural vegetation structure and constructed (artificial) nesting habitat on hatchling sex ratios and nest depredation for a declining terrapin population on Jekyll Island, Georgia. Nest temperatures were highest on constructed nesting mounds, intermediate in open grass areas, and coolest under the shrub-dominated hedgerows. Higher nest temperatures led to shorter incubation times for nests on mounds and open habitat, such that all surviving nests on nesting mounds and open areas produced female hatchlings. In contrast, surviving nests under hedge produced 85% male hatchlings. Raccoon Procyon lotor predation rates of simulated (chicken egg) nests were highest on nesting mounds (95.3%), followed by hedge (84.4%) and open habitats (45.2%). Our results demonstrate that vegetation management can positively affect both production of female hatchlings and nest survival. Artificial nest mounds were successful at producing female hatchlings, but we documented high predation of simulated (chicken egg) nests despite structures to exclude predators. Further modifications to nest boxes atop constructed nesting mounds are needed for these devices to effectively contribute to population management. We suggest the relatively low cost and maintenance associated with removing shrubs and trees can be a viable strategy to manage large areas of nesting habitat for the increased production of female turtles, and to reduce the impacts of subsidized predators. C1 [Grosse, Andrew M.; Buhlmann, Kurt A.; Tuberville, Tracey D.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Crawford, Brian A.; Maerz, John C.] Univ Georgia, DB Warnell Sch Forestry & Nat Resources, Athens, GA 30602 USA. [Norton, Terry; Kaylor, Michelle] Jekyll Isl Author, Georgia Sea Turtle Ctr, Jekyll Island, GA 31527 USA. RP Grosse, AM (reprint author), South Carolina Dept Nat Resources, Marine Resources Res Inst, 217 Ft Johnson Rd, Charleston, SC 29412 USA. EM grossea@dnr.sc.gov FU Riverbanks Zoo; Department of Energy [DE-FC09-07SR22506]; AGL Resources Foundation through the Jekyll Island Foundation FX Finally, we thank Riverbanks Zoo for supporting this project through a grant to the Georgia Sea Turtle Center. Manuscript preparation by KAB, TDT was partially supported by the Department of Energy under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. This research is partially supported by AGL Resources Foundation through the Jekyll Island Foundation, which raises funds for projects related to the conservation, preservation and education of Jekyll Island. NR 45 TC 2 Z9 2 U1 8 U2 24 PU U S FISH & WILDLIFE SERVICE PI SHEPHERDSTOWN PA NATL CONSERVATION TRAINING CENTER, CONSERVATION LIBRARY, 698 CONSERVATION WAY, SHEPHERDSTOWN, WV 25443 USA SN 1944-687X J9 J FISH WILDL MANAG JI J. Fish Wildl. Manag. PD JUN PY 2015 VL 6 IS 1 BP 19 EP 28 DI 10.3996/082014-JFWM-063 PG 10 WC Biodiversity Conservation; Ecology SC Biodiversity & Conservation; Environmental Sciences & Ecology GA CL0JD UT WOS:000356627400002 ER PT J AU Leggett, R Giussani, A AF Leggett, R. Giussani, A. TI A biokinetic model for systemic technetium in adult humans SO JOURNAL OF RADIOLOGICAL PROTECTION LA English DT Article DE technetium; pertechnetate; biokinetics; systemic; model ID TC-99M PERTECHNETATE; THYROID PHYSIOLOGY; TC-99M-PERTECHNETATE; METABOLISM; ABSORPTION; IODIDE AB This paper reviews biokinetic data for technetium and proposes a biokinetic model for systemic technetium in adult humans. The development of parameter values focuses on data for pertechnetate (TcO4-), the most commonly encountered form of technetium and the form expected to be present in body fluids. The model is intended as a default model for occupational or environmental intake of technetium, i.e. applicable in the absence of form-or site-specific information. Tissues depicted explicitly in the model include thyroid, salivary glands, stomach wall, right colon wall, liver, kidneys, and bone. Compared with the ICRP's current biokinetic model for occupational or environmental intake of technetium (ICRP 1993, 1994), the proposed model provides a more detailed and biologically realistic description of the systemic behaviour of technetium and is based on a broader set of experimental and medical data. For acute input of Tc-99m (T-1/2 = 6.02 h) to blood, the ratios of cumulative (time-integrated) activity predicted by the current ICRP model to that predicted by the proposed model range from 0.4-7 for systemic regions addressed explicitly in both models. For acute input of Tc-99 (T-1/2 = 2.1 x 10(5) year) to blood, the corresponding ratios range from 0.2-30. C1 [Leggett, R.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Giussani, A.] BfS Fed Off Radiat Protect, Dept Radiat & Hlth, D-85764 Oberschleissheim, Germany. RP Leggett, R (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Bldg 1509,Room 205, Oak Ridge, TN 37831 USA. EM rwl@ornl.gov FU Office of Radiation and Indoor Air, U S Environmental Protection Agency (EPA), under Interagency Agreement DOE [1824-S581-A1, DE-AC05-00OR22725]; UT-Battelle; U S Government [DE-AC05-00OR22725] FX The work described in this manuscript was sponsored by the Office of Radiation and Indoor Air, U S 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 U S Government under contract DE-AC05-00OR22725. 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 NR 42 TC 0 Z9 0 U1 2 U2 3 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 2015 VL 35 IS 2 BP 297 EP 315 DI 10.1088/0952-4746/35/2/297 PG 19 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 CK5VR UT WOS:000356294400009 PM 25859762 ER PT J AU Dickson, ED Hamby, DM Eckerman, KF AF Dickson, E. D. Hamby, D. M. Eckerman, K. F. TI Contaminant deposition building shielding factors for US residential structures SO JOURNAL OF RADIOLOGICAL PROTECTION LA English DT Article DE validated building shielding factor; contaminant deposition; realistic source term; emergency response planning; probabilistic risk assessment; building shielding factor AB This paper presents validated building shielding factors designed for contemporary US housing-stock under an idealized, yet realistic, exposure scenario from contaminant deposition on the roof and surrounding surfaces. The building shielding factors are intended for use in emergency planning and level three probabilistic risk assessments for a variety of postulated radiological events in which a realistic assessment is necessary to better understand the potential risks for accident mitigation and emergency response planning. Factors are calculated from detailed computational housing-units models using the general-purpose Monte Carlo N-Particle computational code, MCNP5, and are benchmarked from a series of narrow-and broad-beam measurements analyzing the shielding effectiveness of ten common general-purpose construction materials and ten shielding models representing the primary weather barriers (walls and roofs) of likely US housing-stock. Each model was designed to scale based on common residential construction practices and include, to the extent practical, all structurally significant components important for shielding against ionizing radiation. Calculations were performed for floor-specific locations from contaminant deposition on the roof and surrounding ground as well as for computing a weighted-average representative building shielding factor for single-and multi-story detached homes, both with and without basement as well for single-wide manufactured housing-unit. C1 [Dickson, E. D.] US Nucl Regulatory Commiss, Rockville, DC 20555 USA. [Hamby, D. M.] Oregon State Univ, Dept Nucl Engn & Radiat Hlth Phys, Corvallis, OR 97331 USA. [Eckerman, K. F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Dickson, ED (reprint author), US Nucl Regulatory Commiss, Rockville, DC 20555 USA. EM elijah.dickson@gmail.com; david.hamby@oregonstate.edu FU US Nuclear Regulatory Commission [NRC-HQ-11-G-38-0084] FX This study was partly funded by the US Nuclear Regulatory Commission under the Grant: NRC-HQ-11-G-38-0084, entitled, 'Contemporary Building Shielding Factors Research for Level 3 PRA.' NR 22 TC 1 Z9 1 U1 1 U2 4 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 2015 VL 35 IS 2 BP 317 EP 341 DI 10.1088/0952-4746/35/2/317 PG 25 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 CK5VR UT WOS:000356294400010 PM 25859888 ER PT J AU Kim, KH Park, C Kim, P Cho, S Lee, J Hong, TK Hossain, A Bolotnikov, AE James, RB AF Kim, K. H. Park, Chansun Kim, Pilsu Cho, Shinhaeng Lee, Jinseo Hong, T. K. Hossain, A. Bolotnikov, A. E. James, R. B. TI Spectroscopic properties of large-volume virtual Frisch-grid CdMnTe detectors SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE CdMnTe; CdZnTe; Frisch-grid; Traveling heater method; Mobility-lifetime product ID CDZNTE DETECTORS; PERFORMANCE AB CdMnTe(CMT) is a promising alternative material for use as a room-temperature radiation detector. Frisch-grid detectors have a simple configuration and outstanding spectral performance compared with other single-carrier collection techniques. The energy resolution of large-volume virtual Frisch-grid CMT detectors was tested by using several isotopes such as Co-57, (22) Na, Ba-133, and Cs-137 together or separately. Energy resolutions of 6.7% and 2.1% were obtained for 122-keV Co-57 and 662-keV Cs-137 gamma rays, respectively, without using any additional signal processing techniques. Also, a 12-mm-thick CMT detector detected the 511-keV and 1.277-MeV gamma peaks of Na-22 with values of the full width at half maximum (FWHM) of 2.7% and 1.5%, respectively. In addition, multiple low- and high-energy gamma peaks of Ba-133 were well separated. The mobilitylifetime product calculated from the shift of the 662-keV photo-peak vs. bias by using Hecht's equation was 7 x 10 (-3) cm(2)/V. These results show the possibility of using CMT detectors in response to various requirements for gamma-ray detection at room-temperature. C1 [Kim, K. H.; Park, Chansun; Kim, Pilsu; Cho, Shinhaeng] Korea Univ, Dept Radiol Sci, Seoul 136713, South Korea. [Lee, Jinseo; Hong, T. K.] AbyzR, Hwaseong 445811, South Korea. [Hossain, A.; Bolotnikov, A. E.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Kim, KH (reprint author), Korea Univ, Dept Radiol Sci, Seoul 136713, South Korea. EM khkim1@korea.ac.kr FU Korea University [K1503511]; U.S. Department of Energy, Office of Defense Nuclear Nonproliferation Research and Development, DNN RD FX This work was supported by a grant from Korea University (K1503511) and by the U.S. Department of Energy, Office of Defense Nuclear Nonproliferation Research and Development, DNN R&D. NR 14 TC 1 Z9 1 U1 4 U2 14 PU KOREAN PHYSICAL SOC PI SEOUL PA 635-4, YUKSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA SN 0374-4884 EI 1976-8524 J9 J KOREAN PHYS SOC JI J. Korean Phys. Soc. PD JUN PY 2015 VL 66 IS 11 BP 1761 EP 1765 DI 10.3938/jkps.66.1761 PG 5 WC Physics, Multidisciplinary SC Physics GA CK9AT UT WOS:000356532800021 ER PT J AU Ding, JL Strelcov, E Kalinin, SV Bassiri-Gharb, N AF Ding, Jilai Strelcov, Evgheni Kalinin, Sergei V. Bassiri-Gharb, Nazanin TI Spatially Resolved Probing of Electrochemical Reactions via Energy Discovery Platforms SO NANO LETTERS LA English DT Article DE tr-KPFM; nanostructured ceria; ionic dynamics; charge transport ID OXIDE FUEL-CELLS; NANOCRYSTALLINE CERIA; DOPED-CERIA; THIN-FILMS; ELECTRICAL-CONDUCTIVITY; PROTON CONDUCTION; CARBON-MONOXIDE; GAS SENSORS; WATER; STABILITY AB The electrochemical reactivity of solid surfaces underpins functionality of a broad spectrum of materials and devices ranging from energy storage and conversion, to sensors and catalytic devices. The surface electrochemistry is, however; a complex process, controlled by the interplay of charge generation, field-controlled and diffusion-controlled transport. Here we explore the fundamental mechanisms of electrochemical reactivity on nanocrystalline ceria, using the synergy of nanofabricated devices and time-resolved Kelvin probe force microscopy (tr-KPFM), an approach we refer to as energy discovery platform. Through tr-KPFM, the surface potential mapping in both the space and time domains and current variation over time are obtained, enabling analysis of local ionic and electronic transport and their dynamic behavior on the 10 ms to 10 s scale. Based on their different responses in the time domain, conduction mechanisms can be separated and identified in a variety of environmental conditions, such as humidity and temperature. The theoretical modeling of ion transport through finite element method allows for creation of a minimal model consistent with observed phenomena, and establishing of the dynamic characteristics of the process, including mobility and diffusivity of charged species. The future potential of the energy discovery platforms is also discussed. C1 [Ding, Jilai; Bassiri-Gharb, Nazanin] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Strelcov, Evgheni; Kalinin, Sergei V.] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. [Strelcov, Evgheni; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Bassiri-Gharb, Nazanin] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RP Bassiri-Gharb, N (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. EM nazanin.bassiri@gatech.edu RI Bassiri-Gharb, Nazanin/F-1783-2011; Strelcov, Evgheni/H-1654-2013; Kalinin, Sergei/I-9096-2012; OI Bassiri-Gharb, Nazanin/0000-0002-0183-5160; Kalinin, Sergei/0000-0001-5354-6152; Ding, Jilai/0000-0003-3905-8181 FU US National Science Foundation [DMR-1255379]; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy [CNMS2013-123] FX N.B.G. and J.D. gratefully acknowledge funding from the US National Science Foundation through grant no. DMR-1255379. The tr-KPFM 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 under user proposal CNMS2013-123. NR 46 TC 3 Z9 3 U1 4 U2 44 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 2015 VL 15 IS 6 BP 3669 EP 3676 DI 10.1021/acs.nanolett.5b01613 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 CK6CU UT WOS:000356316900003 PM 26027805 ER PT J AU Saranathan, V Seago, AE Sandy, A Narayanan, S Mochrie, SGJ Dufresne, ER Cao, H Osuji, CO Prum, RO AF Saranathan, Vinodkumar Seago, Ainsley E. Sandy, Alec Narayanan, Suresh Mochrie, Simon G. J. Dufresne, Eric R. Cao, Hui Osuji, Chinedum O. Prum, Richard O. TI Structural Diversity of Arthropod Biophotonic Nanostructures Spans Amphiphilic Phase-Space SO NANO LETTERS LA English DT Article DE Biophotonic nanostructures; structural colors; iridescence; self-assembly; membrane-folding; biomimetics ID BUTTERFLY WING SCALES; CELL-MEMBRANE ORGANIZATION; PHOTONIC CRYSTALS; CUBIC MEMBRANES; T-SYSTEM; TRIBLOCK COPOLYMERS; VISIBLE WAVELENGTHS; SKELETAL MUSCLE; SOFT MATERIALS; CURVATURE AB Many organisms, especially arthropods, produce vivid interference colors using diverse mesoscopic (100-350 nm) integumentary biophotonic nanostructures that are increasingly being investigated for technological applications. Despite a century of interest, precise structural knowledge of many biophotonic nanostructures and the mechanisms controlling their development remain tentative, when such knowledge can open novel biomimetic routes to facilely self-assemble tunable, multifunctional materials. Here, we use synchrotron small-angle X-ray scattering and electron microscopy to characterize the photonic nanostructure of 140 integumentary scales and setae from similar to 127 species of terrestrial arthropods in 85 genera from 5 orders. We report a rich nanostructural diversity, including triply periodic bicontinuous networks, close-packed spheres, inverse columnar, perforated lamellar, and disordered spongelike morphologies, commonly observed as stable phases of amphiphilic surfactants, block copolymer, and lyotropic lipid-water systems. Diverse arthropod lineages appear to have independently evolved to utilize the self-assembly of infolding lipid-bilayer membranes to develop biophotonic nanostructures that span the phase-space of amphiphilic morphologies, but at optical length scales. C1 [Saranathan, Vinodkumar] Nanyang Technol Univ, Div Phys & Appl Phys, Sch Phys & Math Sci, Singapore 637371, Singapore. [Saranathan, Vinodkumar] Univ Oxford, Edward Grey Inst Field Ornithol, Dept Zool, Oxford OX1 3PS, England. [Seago, Ainsley E.] CSIRO Ecosyst Sci, Canberra, ACT 2601, Australia. [Sandy, Alec; Narayanan, Suresh] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Saranathan, Vinodkumar; Prum, Richard O.] Yale Univ, Dept Ecol & Evolutionary Biol, New Haven, CT 06520 USA. [Saranathan, Vinodkumar; Prum, Richard O.] Yale Univ, Peabody Museum Nat Hist, New Haven, CT 06520 USA. [Mochrie, Simon G. J.; Dufresne, Eric R.; Cao, Hui] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Dufresne, Eric R.; Cao, Hui] Yale Univ, Dept Appl Phys, New Haven, CT 06520 USA. [Dufresne, Eric R.] Yale Univ, Dept Mech Engn & Mat Sci, New Haven, CT 06520 USA. [Osuji, Chinedum O.] Yale Univ, Dept Chem & Environm Engn, New Haven, CT 06520 USA. [Saranathan, Vinodkumar; Mochrie, Simon G. J.; Dufresne, Eric R.; Cao, Hui; Osuji, Chinedum O.; Prum, Richard O.] Yale Univ, CRISP, New Haven, CT 06520 USA. RP Saranathan, V (reprint author), Yale NUS Coll, Life Sci, 6 Coll Ave East, Singapore 138614, Singapore. EM Vinodkumar.Saranathan@aya.yale.edu; Richard.Prum@yale.edu OI Osuji, Chinedum/0000-0003-0261-3065 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; US National Science Foundation (NSF) Materials Research Science and Engineering Center [DMR 1119826]; NSF [DMR-0906697, PHY-0957680]; Royal Society Newton Fellowship; Linacre College EPA Junior Research Fellowship; Yale University W. R. Coe Funds; Ikerbasque Science Fellowship; Donostia International Physics Center FX SAXS data collection at 8-ID, Advanced Photon Source, Argonne National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. This work was supported with seed funding from the US National Science Foundation (NSF) Materials Research Science and Engineering Center (DMR 1119826) and NSF grants to S.G.J.M. (DMR-0906697), H.C. (PHY-0957680), a Royal Society Newton Fellowship and Linacre College EPA Junior Research Fellowship to V.S. as well as Yale University W. R. Coe Funds to R.O.P. R.O.P. acknowledges the support of the Ikerbasque Science Fellowship and the Donostia International Physics Center. NR 77 TC 7 Z9 7 U1 4 U2 37 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 2015 VL 15 IS 6 BP 3735 EP 3742 DI 10.1021/acs.nanolett.5b00201 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 CK6CU UT WOS:000356316900013 PM 25938382 ER PT J AU Belianinov, A He, Q Dziaugys, A Maksymovych, P Eliseev, E Borisevich, A Morozovska, A Banys, J Vysochanskii, Y Kalinin, SV AF Belianinov, A. He, Q. Dziaugys, A. Maksymovych, P. Eliseev, E. Borisevich, A. Morozovska, A. Banys, J. Vysochanskii, Y. Kalinin, S. V. TI CuInP2S6 Room Temperature Layered Ferroelectric SO NANO LETTERS LA English DT Article DE Atomic force microscopy; layered materials; ferroelectricity; 2D crystals ID SCANNING PROBE MICROSCOPY; PHASE; TRANSITION; GRAPHENE; FILMS; NANOSHEETS; OXIDES AB We explore ferroelectric properties of cleaved 2-D flakes of copper indium thiophosphate, CuInP2S6 (CITP), and probe size effects along with limits of ferroelectric phase stability, by ambient and ultra high vacuum scanning probe microscopy. CITP belongs to the only material family known to display ferroelectric polarization in a van der Waals, layered crystal at room temperature and above. Our measurements directly reveal stable, ferroelectric polarization as evidenced by domain structures, switchable polarization, and hysteresis loops. We found that at room temperature the domain structure of flakes thicker than 100 nm is similar to the cleaved bulk surfaces, whereas below 50 nm polarization disappears. We ascribe this behavior to a well-known instability of polarization due to depolarization field. Furthermore, polarization switching at high bias is also associated with ionic mobility, as evidenced both by macroscopic measurements and by formation of surface damage under the tip at a bias of 4 V-likely due to copper reduction. Mobile Cu ions may therefore also contribute to internal screening mechanisms. The existence of stable polarization in a van-der-Waals crystal naturally points toward new strategies for ultimate scaling of polar materials, quasi-2D, and single-layer materials with advanced and nonlinear dielectric properties that are presently not found in any members of the growing "graphene family". C1 [Belianinov, A.; He, Q.; Maksymovych, P.; Borisevich, A.; Kalinin, S. V.] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. [Belianinov, A.; He, Q.; Maksymovych, P.; Borisevich, A.; Kalinin, S. V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Dziaugys, A.; Banys, J.] Vilnius State Univ, Fac Phys, LT-01513 Vilnius, Lithuania. [Eliseev, E.] Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03028 Kiev, Ukraine. [Morozovska, A.] Natl Acad Sci Ukraine, Inst Phys, UA-03028 Kiev, Ukraine. [Vysochanskii, Y.] Uzhgorod Univ, Inst Solid State Phys & Chem, UA-88000 Uzhgorod, Ukraine. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Borisevich, Albina/B-1624-2009; Kalinin, Sergei/I-9096-2012; Maksymovych, Petro/C-3922-2016; He, Qian/J-1277-2014; OI Borisevich, Albina/0000-0002-3953-8460; Kalinin, Sergei/0000-0001-5354-6152; Maksymovych, Petro/0000-0003-0822-8459; Belianinov, Alex/0000-0002-3975-4112 FU Center for Nanophase Materials Sciences; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division FX Research was supported (A.B.) and partially conducted (AFM, UHV-AFM) 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. This work was also supported (Q.H., A.B., P.M., S.V.K.) and partially conducted (STEM) by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 31 TC 10 Z9 10 U1 4 U2 45 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 2015 VL 15 IS 6 BP 3808 EP 3814 DI 10.1021/acs.nanolett.5b00491 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 CK6CU UT WOS:000356316900023 PM 25932503 ER PT J AU Sun, YM Sills, RB Hu, XL Seh, ZW Xiao, X Xui, HH Luo, W Jin, HY Xin, Y Li, TQ Zhang, ZL Zhou, J Cai, W Huang, YH Cui, Y AF Sun, Yongming Sills, Ryan B. Hu, Xianluo Seh, Zhi Wei Xiao, Xu Xui, Henghui Luo, Wei Jin, Huanyu Xin, Ying Li, Tianqi Zhang, Zhaoliang Zhou, Jun Cai, Wei Huang, Yunhui Cui, Yi TI A Bamboo-Inspired Nanostructure Design for Flexible, Foldable, and Twistable Energy Storage Devices SO NANO LETTERS LA English DT Article DE Bamboo-like carbon nanofibers; mechanical properties; supercapacitor; electrochemieal performances ID CARBIDE-DERIVED CARBON; CORE-SHELL NANOWIRES; MICRO-SUPERCAPACITORS; HIGH-PERFORMANCE; ELECTROCHEMICAL CAPACITORS; GRAPHENE; FILMS; FABRICATION; FIBERS AB Flexible energy storage devices are critical components for emerging flexible electronics. Electrode design is key in the development of all-solid-state supercapacitors with superior electrochemical performances and mechanical durability. Herein, we propose a bamboo-like graphitic carbon nanofiber with a well-balanced macro-, meso-, and microporosity, enabling excellent mechanical flexibility, foldability, and electrochemical performances. Our design is inspired by the structure of bamboos, where a periodic distribution of interior holes along the length and graded pore structure at the cross section not only enhance their stability under different mechanical deformation conditions but also provide a high surface area accessible to the electrolyte and low ion-transport resistance. The prepared nanofiber network electrode recovers its initial state easily after 3-folded manipulation. The mechanically robust membrane is explored as a free-standing electrode for a flexible all-solid-state supercapacitor. Without the need for extra support, the volumetric energy and power densities based on the whole device are greatly improved compared to the state-of-the-art devices. Even under continuous dynamic operations of forceful bending (90 degrees) and twisting (180 degrees), the as-designed device still exhibits stable electrochemical performances with 100% capacitance retention. Such a unique supercapacitor holds great promise for high-performance flexible electronics. C1 [Sun, Yongming; Hu, Xianluo; Xui, Henghui; Luo, Wei; Huang, Yunhui] Huazhong Univ Sci & Technol, State Key Lab Mat Proc & Die & Mold Technol, Sch Mat Sci & Engn, Wuhan 430074, Peoples R China. [Xiao, Xu; Jin, Huanyu; Li, Tianqi; Zhou, Jun] Huazhong Univ Sci & Technol, Wuhan Natl Lab Optoelect, Wuhan 430074, Peoples R China. [Xiao, Xu; Jin, Huanyu; Li, Tianqi; Zhou, Jun] Huazhong Univ Sci & Technol, Coll Optoelect Sci & Engn, Wuhan 430074, Peoples R China. [Sun, Yongming; Seh, Zhi Wei; Cui, Yi] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Sills, Ryan B.; Cai, Wei] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [Sills, Ryan B.] Sandia Natl Labs, Livermore, CA 94551 USA. [Xin, Ying; Zhang, Zhaoliang] Univ Jinan, Sch Chem & Chem Engn, Jinan 250022, Peoples R China. [Cui, Yi] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. RP Hu, XL (reprint author), Huazhong Univ Sci & Technol, State Key Lab Mat Proc & Die & Mold Technol, Sch Mat Sci & Engn, Wuhan 430074, Peoples R China. EM huxl@mail.hust.edu.cn; huangyh@mail.hust.edu.cn; yicui@stanford.edu RI Luo, Wei/E-1582-2011; Hu, Xianluo/E-6442-2010; Zhou, Jun/E-1511-2014 OI Luo, Wei/0000-0002-4019-4634; Hu, Xianluo/0000-0002-5769-167X; Zhou, Jun/0000-0003-4799-8165 FU Samsung Electronics; Program for Changjiang Scholars and Innovative Research Team in University [IRT1014]; National Natural Science Foundation of China [21271078, 51472098, 21477046]; Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work is supported by Samsung Electronics. Y.H. acknowledges the support from Program for Changjiang Scholars and Innovative Research Team in University (No. IRT1014). X.H. acknowledges the support from the National Natural Science Foundation of China (No. 21271078 and 51472098). R.S. acknowledges the support of 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. Z.Z. acknowledges the support from the National Natural Science Foundation of China (No. 21477046). The authors thank Analytical and Testing Center of HUST for TEM measurements. Mr. David Gilley (Micromeritics Instrument Corporation) is acknowledged for helpful discussion and instruction in nitrogen sorption analysis. NR 37 TC 45 Z9 46 U1 55 U2 307 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 2015 VL 15 IS 6 BP 3899 EP 3906 DI 10.1021/acs.nanolett.5b00738 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 CK6CU UT WOS:000356316900037 PM 26011653 ER PT J AU Zhang, TY Yang, MJ Zhao, YX Zhu, K AF Zhang, Taiyang Yang, Mengjin Zhao, Yixin Zhu, Kai TI Controllable Sequential Deposition of Planar CH3NH3PbI3 Perovskite Films via Adjustable Volume Expansion SO NANO LETTERS LA English DT Article DE Perovskite; solar cells; sequential deposition; volume expansion ID ORGANOMETAL HALIDE PEROVSKITES; SOLAR-CELLS; CHEMISTRY AB We demonstrate a facile morphology-controllable sequential deposition of planar CH3NH3PbI3 (MAPbI(3)) film by using a novel volume-expansion-adjustable PbI2 center dot xMAI (x: 0.1-0.3) precursor film to replace pure PbI2. The use of additive MAI during the first step of deposition leads to the reduced crystallinity of PbI2 and the pre-expansion of PbI2 into PbI2 center dot xMAI with adjustable morphology, which result in about 10-fold faster formation of planar MAPbI(3) film (without PbI2 residue) and thus minimize the negative impact of the solvent isopropanol on perovskites during the MAI intercalation/conversion step. The best efficiency obtained for a planar perovskite solar cell based on PbI2 center dot 0.15MAI is 17.22% (under one sun illumination), which is consistent with the stabilized maximum power output at an efficiency of 16.9%. C1 [Zhang, Taiyang; Zhao, Yixin] Shanghai Jiao Tong Univ, Sch Environm Sci & Engn, Shanghai 200240, Peoples R China. [Yang, Mengjin; Zhu, Kai] Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA. RP Zhao, YX (reprint author), Shanghai Jiao Tong Univ, Sch Environm Sci & Engn, 800 Dongchuan Rd, Shanghai 200240, Peoples R China. EM yixin.zhao@sjtu.edu.cn; Kai.Zhu@nrel.gov RI Zhao, Yixin/D-2949-2012; Zhang, Taiyang/C-7682-2017 OI Zhang, Taiyang/0000-0003-4012-2785 FU NSFC [51372151, 21303103]; U.S. Department of Energy/National Renewable Energy Laboratory's Laboratory Directed Research and Development (LDRD) [DE-AC36-08GO28308] FX Y.Z. and T.Z. are thankful for the support of the NSFC (Grants 51372151 and 21303103). K.Z. and M.Y. 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 24 TC 65 Z9 65 U1 12 U2 141 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 2015 VL 15 IS 6 BP 3959 EP 3963 DI 10.1021/acs.nanolett.5b00843 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 CK6CU UT WOS:000356316900045 PM 25996160 ER PT J AU Wang, YL Li, LF Yao, W Song, SR Sun, JT Pan, JB Ren, X Li, C Okunishi, E Wang, YQ Wang, EY Shao, Y Zhang, YY Yang, HT Schwier, EF Iwasawa, H Shimada, K Taniguchi, M Cheng, ZH Zhou, SY Du, SX Pennycook, SJ Pantelides, ST Gao, HJ AF Wang, Yeliang Li, Linfei Yao, Wei Song, Shiru Sun, J. T. Pan, Jinbo Ren, Xiao Li, Chen Okunishi, Eiji Wang, Yu-Qi Wang, Eryin Shao, Yan Zhang, Y. Y. Yang, Hai-tao Schwier, Eike F. Iwasawa, Hideaki Shimada, Kenya Taniguchi, Masaki Cheng, Zhaohua Zhou, Shuyun Du, Shixuan Pennycook, Stephen J. Pantelides, Sokrates T. Gao, Hong-Jun TI Monolayer PtSe2, a New Semiconducting Transition-Metal-Dichalcogenide, Epitaxially Grown by Direct Selenization of Pt SO NANO LETTERS LA English DT Article DE two-dimensional materials; transition-metal dichalcogenides; PtSe2; epitaxial growth; monolayer; photocatalyst ID MOLYBDENUM-DISULFIDE; 2-DIMENSIONAL MATERIALS; VALLEY POLARIZATION; BILAYER MOS2; GRAPHENE; PHOTOLUMINESCENCE; PHOTOCATALYSTS; ELECTRONICS; TRANSISTORS; NANOSHEETS AB Single-layer transition-metal dichalcogenides (TMDs) receive, significant attention due to their intriguing physical properties for both fundamental research and potential applications in electronics, optoelectronics, spintronics, catalysis, and so on. Here, we demonstrate the epitaxial growth of high-quality single-crystal, monolayer platinum diselenide (PtSe2), a new member of the layered TMDs family, by a single step of direct selenization of a Pt(111) substrate. A combination of atomic-resolution experimental characterizations and first-principle theoretic calculations reveals the atomic structure of the monolayer PtSe2/-Pt(111). Angle-resolved photoemission spectroscopy measurements confirm for the first time the semiconducting electronic Structure of monolayer PtSe2 (in contrast to its semimetallic bulk counterpart). The photocatalytic activity of monolayer PtSe2 film is evaluated by a methylene-blue photodegradation experiment, demonstrating its practical application as a promising photocatalyst. Moreover, circular polarization calculations predict that monolayer PtSe2 has also potential application's in valleytronics. C1 [Wang, Yeliang; Li, Linfei; Song, Shiru; Sun, J. T.; Pan, Jinbo; Ren, Xiao; Wang, Yu-Qi; Shao, Yan; Zhang, Y. Y.; Yang, Hai-tao; Cheng, Zhaohua; Du, Shixuan; Gao, Hong-Jun] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Yao, Wei; Wang, Eryin; Zhou, Shuyun] Tsinghua Univ, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China. [Yao, Wei; Wang, Eryin; Zhou, Shuyun] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. [Li, Chen; Zhang, Y. Y.; Pantelides, Sokrates T.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Zhang, Y. Y.; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Zhang, Y. Y.; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA. [Okunishi, Eiji] JEOL Ltd, EM Business Unit, Tokyo 1968558, Japan. [Wang, Yeliang; Zhou, Shuyun; Du, Shixuan; Gao, Hong-Jun] Collaborat Innovat Ctr Quantum Matter, Beijing 100084, Peoples R China. [Schwier, Eike F.; Iwasawa, Hideaki; Shimada, Kenya; Taniguchi, Masaki] Hiroshima Univ, Hiroshima Synchrotron Radiat Ctr, Higashihiroshima 7390046, Japan. [Pennycook, Stephen J.] Natl Univ Singapore, Dept Mat Sci & Engn, Singapore 117576, Singapore. RP Zhou, SY (reprint author), Tsinghua Univ, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China. EM syzhou@mail.tsinghua.edu.cn; sxdu@iphy.ac.cn; hjgao@iphy.ac.cn RI Zhou, Shuyun/A-5750-2009; Yao, Wei/C-5767-2015; Du, Shixuan/K-7145-2012; Sun, Jia-Tao/C-5566-2011; WANG, Yeliang/D-9643-2012; Shimada, Kenya/G-5080-2016; Zhang, Yu-Yang/F-2078-2011 OI Yao, Wei/0000-0003-4518-3632; Du, Shixuan/0000-0001-9323-1307; Shimada, Kenya/0000-0002-1945-2352; Zhang, Yu-Yang/0000-0002-9548-0021 FU National Basic Research Program of China [2013CBA01600, 2011CB932700]; National Natural Foundation of China [61222112, 61390501, 51325204, 11334006, 61306114]; Chinese Academy of Sciences [1731300500015, XDB07030100]; U.S. Department of Energy [DE-FG02-09ER46554]; National Science Foundation [ACI-1053575]; U.S. Department of Energy, Office of Science, Basic Energy Science, Materials Sciences and Engineering Division; JEOL Company, Japan; JSPS fellowship; Alexander von Humboldt Foundation FX The authors thank Min Ouyang for constructive suggestions. We acknowledge financial support from the National Basic Research Program of China (Nos. 2013CBA01600 and 2011CB932700), National Natural Foundation of China (Nos. 61222112, 61390501, 51325204, 11334006, and 61306114), Chinese Academy of Sciences (Nos. 1731300500015 and XDB07030100) and the U.S. Department of Energy grant DE-FG02-09ER46554 (STP). Supercomputer time was provided by the supercomputer center at Shanghai, the National Center for Supercomputing Applications, and the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant ACI-1053575. The STEM work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Science, Materials Sciences and Engineering Division and by the JEOL Company, Japan. The experiments at HiSor have been performed under the proposal No. 13-B-20 and 14-A-10. E.F.S. acknowledges support from the JSPS fellowship and the Alexander von Humboldt Foundation. NR 39 TC 23 Z9 23 U1 37 U2 198 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 2015 VL 15 IS 6 BP 4013 EP 4018 DI 10.1021/acs.nanolett.5b00964 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 CK6CU UT WOS:000356316900054 PM 25996311 ER PT J AU Ulvestad, A Clark, JN Harder, R Robinson, IK Shpyrko, OG AF Ulvestad, Andrew Clark, Jesse N. Harder, Ross Robinson, Ian K. Shpyrko, Oleg G. TI 3D Imaging of Twin Domain Defects in Gold Nanoparticles SO NANO LETTERS LA English DT Article DE coherent imaging; twin domain; defects; gold nanoparticle; X-ray imaging ID PHASE RETRIEVAL ALGORITHMS; X-RAY-DIFFRACTION; NANOTWINNED METALS; COHERENT; RESOLUTION; STRAIN; NANOCRYSTALS; BOUNDARIES; NANOSCALE; DISLOCATIONS AB Topological defects are ubiquitous in physics and include crystallographic imperfections such as defects in condensed matter systems. Defects can determine many of the material's properties, thus providing, novel opportunities for defect,engineering. However, if is difficult to track buried defects and their interfaces in three dimensions with nanoscale resolution. Here, we report three-dimensional visualization of gold nanocrystal twin domains using Bragg coherent X-ray diffractive imaging in an aqueous environment. We capture the size and location of twin: domains, which appear as voids in the Bragg electron density, in addition to a component of the strain field. Twin domains can interrupt the stacking order of the :Parent crystal, leading to a phase offset between the Separated parent crystal-pieces. We utilize this phase offset to estimate the roughness of the twin boundary. We measure the diffraction Signal from the crystal twin and show its Bragg electron density fits into the parent crystal void. Defect imaging will likely facilitate improvement and rational design of nanostructured materials. C1 [Ulvestad, Andrew; Shpyrko, Oleg G.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Clark, Jesse N.] SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA. [Clark, Jesse N.] Deutsch Elektronensynchrotron DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany. [Harder, Ross] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Robinson, Ian K.] UCL, London Ctr Nanotechnol, London WC1E 6BT, England. [Robinson, Ian K.] Res Complex Harwell, Didcot OX11 0DE, Oxon, England. RP Ulvestad, A (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. EM aulvesta@ucsd.edu RI Ulvestad, Andrew/K-8888-2015 OI Ulvestad, Andrew/0000-0003-4611-2561 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001805.I.KR]; EPSRC [EP/I022562/1]; ERC [227711]; Volkswagen Foundation; DOE Office of Science [DE-AC02-06CH11357] FX This work was supported by U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-SC0001805.I.KR., R.H, and J.N.C. acknowledge support from EPSRC grant EP/I022562/1 and an ERC Advanced Grant 227711 "nanosculpture". J.N.C. gratefully acknowledges financial support from the Volkswagen Foundation. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. We thank the staff at Argonne National Laboratory and the Advanced Photon Source for their support. We also thank Dr. Andrej Singer for useful discussion regarding twinning in face centered cubic crystals. NR 44 TC 10 Z9 10 U1 14 U2 59 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 2015 VL 15 IS 6 BP 4066 EP 4070 DI 10.1021/acs.nanolett.5b01104 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 CK6CU UT WOS:000356316900062 PM 25965558 ER PT J AU Ling, X Liang, LB Huang, SX Puretzky, AA Geohegan, DB Sumpter, BG Kong, J Meunier, V Dresselhaus, MS AF Ling, Xi Liang, Liangbo Huang, Shengxi Puretzky, Alexander A. Geohegan, David B. Sumpter, Bobby G. Kong, Jing Meunier, Vincent Dresselhaus, Mildred S. TI Low-Frequency Interlayer Breathing Modes in Few-Layer Black Phosphorus SO NANO LETTERS LA English DT Article DE Raman spectroscopy; polarization dependence; thickness dependence; temperature dependence; density functional theory ID TRANSITION-METAL DICHALCOGENIDES; INELASTIC NEUTRON-SCATTERING; FIELD-EFFECT TRANSISTORS; RAMAN-SCATTERING; TRANSPORT ANISOTROPY; ACOUSTIC PHONONS; DEPENDENT RAMAN; GRAPHENE; SPECTROSCOPY; MOS2 AB As a new two-dimensional layered material, black phosphorus (BP) is a very promising material for nanoelectronics and optoelectronics. We use Raman spectroscopy and first-principles theory to characterize and understand the low-frequency (LF) interlayer breathing modes (<100 cm1) in few-layer BP for the first time. Using a laser polarization dependence study and group theory analysis, the breathing modes are assigned to A(g) symmetry. Compared to the high-frequency (HF) Raman modes, the LF breathing modes are considerably more sensitive to interlayer coupling and, thus, their frequencies show a stronger dependence on the number of layers. Hence, they constitute an effective means to probe both the crystalline orientation and thickness of few-layer BP. Furthermore, the temperature dependence shows that in the temperature range -150 to 30 degrees C, the breathing modes have a weak anharmonic behavior, in contrast to the HF Raman modes that exhibit strong anharmonicity. C1 [Ling, Xi; Huang, Shengxi; Kong, Jing; Dresselhaus, Mildred S.] MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. [Liang, Liangbo; Meunier, Vincent] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. [Puretzky, Alexander A.; Geohegan, David B.; Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Dresselhaus, Mildred S.] MIT, Dept Phys, Cambridge, MA 02139 USA. RP Ling, X (reprint author), MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. EM xiling@mit.edu; meuniv@rpi.edu; mdress@mit.edu RI Liang, Liangbo/H-4486-2011; Sumpter, Bobby/C-9459-2013; Puretzky, Alexander/B-5567-2016; Geohegan, David/D-3599-2013 OI Liang, Liangbo/0000-0003-1199-0049; Sumpter, Bobby/0000-0001-6341-0355; Puretzky, Alexander/0000-0002-9996-4429; Geohegan, David/0000-0003-0273-3139 FU MIT [DE-SC0001299]; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; New York State under NYSTAR program [C080117]; Office of Naval Research FX The authors thank Prof. Fengnian Xia, Prof. Han Wang, Sangyeop Lee, and Weihua Mu for their useful discussion and help. X.L., S.H., and M.S.D. at MIT acknowledge grant DE-SC0001299 for financial support. Part of the Raman measurements was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. The theoretical work at Rensselaer Polytechnic Institute (RPI) was supported by New York State under NYSTAR program C080117 and the Office of Naval Research. The computations were performed using the resources of the Center for Computational Innovation at RN. NR 79 TC 56 Z9 56 U1 24 U2 140 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 2015 VL 15 IS 6 BP 4080 EP 4088 DI 10.1021/acs.nanolett.5b01117 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CK6CU UT WOS:000356316900064 PM 25955659 ER PT J AU Wong, AB Brittman, S Yu, Y Dasgupta, NP Yang, PD AF Wong, Andrew Barnabas Brittman, Sarah Yu, Yi Dasgupta, Neil P. Yang, Peidong TI Core-Shell CdS-Cu2S Nanorod Array Solar Cells SO NANO LETTERS LA English DT Article DE Nanorod array; core-shell; photovoltaic; solution processed; copper sulfide ID CATION-EXCHANGE; PHOTOVOLTAIC APPLICATIONS; ATOMIC LAYER; FABRICATION; CDS; HETEROJUNCTIONS; NANOCRYSTALS; EFFICIENCY; NANOWIRES; DESIGN AB As an earth-abundant p-type semiconductor, copper sulfide (Cu2S) is an attractive material for application in photovoltaic devices. However, it suffers from a minority carrier diffusion length that is less than the length required for complete light absorption. Coreshell nanowires and nanorods have the potential to alleviate this difficulty because they decouple the length scales of light absorption and charge collection. To achieve this geometry using Cu2S, cation exchange was applied to an array of CdS nanorods to produce well-defined CdS-Cu2S coreshell nanorods. Previous work has demonstrated single-nanowire photovoltaic devices from this material system, but in this work, the cation exchange chemistry has been applied to nanorod arrays to produce ensemble-level devices with microscale sizes. The coreshell nanorod array devices show power conversion efficiencies of up to 3.8%. In addition, these devices are stable when measured in air after nearly one month of storage in a desiccator. These results are a first step in the development of large-area nanostructured Cu2S-based photovoltaics that can be processed from solution. C1 [Wong, Andrew Barnabas; Brittman, Sarah; Yu, Yi; Dasgupta, Neil P.; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Wong, Andrew Barnabas; Brittman, Sarah; Yu, Yi; Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Yang, Peidong] Kavli Energy Nanosci Inst, Berkeley, CA 94720 USA. [Yang, Peidong] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu RI Foundry, Molecular/G-9968-2014 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Bay Area Photovolatic Consortium, DOE [DE-EE0004946, 60094384-51077-D] FX The authors thank the National Center for Electron Microscopy at the Molecular Foundry in Lawrence Berkeley National Laboratory. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Special thanks to Dr. Anthony Fu and Dr. Letian Dou for helpful scientific discussions. This work was supported by the Bay Area Photovolatic Consortium, DOE prime award number DE-EE0004946 and subaward number 60094384-51077-D. NR 33 TC 25 Z9 25 U1 32 U2 190 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 2015 VL 15 IS 6 BP 4096 EP 4101 DI 10.1021/acs.nanolett.5b01203 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 CK6CU UT WOS:000356316900066 PM 25993088 ER PT J AU Chou, YC Tang, W Chiou, CJ Chen, K Minor, AM Tu, KN AF Chou, Yi-Chia Tang, Wei Chiou, Chien-Jyun Chen, Kai Minor, Andrew M. Tu, K. N. TI Effect of Elastic Strain Fluctuation on Atomic Layer Growth of Epitaxial Silicide in Si Nanowires by Point Contact Reactions SO NANO LETTERS LA English DT Article DE Silicide; nanowire; strain; point contact reaction; nucleation ID THERMAL-EXPANSION COEFFICIENT; NICKEL-SILICIDE; THIN-FILMS; CORE/SHELL NANOWIRES; TRANSISTORS; NUCLEATION; COSI2; CHANNEL; DEVICES; NISI AB Effects of strain impact a range of applications involving mobility change in field-effect-transistors. We report the effect of strain fluctuation on epitaxial growth of NiSi2 in a nanowire via point contact and atomic layer reactions, and we discuss the thermodynamic, kinetic, and mechanical implications. The generation and relaxation of strain shown by in situ TEM is periodic and in synchronization with the atomic layer reaction. The Si lattice at the epitaxial interface is under tensile strain, which enables a high solubility of supersaturated interstitial Ni atoms for homogeneous nucleation of an epitaxial atomic layer of the disilicide phase. The tensile strain is reduced locally during the incubation period of nucleation by the dissolution of supersaturated Ni atoms in the Si lattice but the strained-Si state returns once the atomic layer epitaxial growth of NiSi2 occurs by consuming the supersaturated Ni. C1 [Chou, Yi-Chia; Chiou, Chien-Jyun] Natl Chiao Tung Univ, Dept Electrophys, Hsinchu 300, Taiwan. [Tang, Wei; Tu, K. N.] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. [Chen, Kai; Minor, Andrew M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Chen, Kai] Xi An Jiao Tong Univ, Ctr Adv Mat Performance Nanoscale, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China. RP Chou, YC (reprint author), Natl Chiao Tung Univ, Dept Electrophys, Hsinchu 300, Taiwan. EM ycchou@nctu.edu.tw RI Tang, Wei/A-6917-2015; xjtu, campnano/Q-1904-2015; Chen, Kai/O-5662-2014; Foundry, Molecular/G-9968-2014; OI Tang, Wei/0000-0001-6113-7201; Chen, Kai/0000-0002-4917-4445; /0000-0002-7775-2927 FU Ministry of Science and Technology of Taiwan [NSC-101-2112-M-009-021-MY3]; Center for Interdisciplinary Science under the MOE-ATU; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank the support from the Ministry of Science and Technology of Taiwan under Grant NSC-101-2112-M-009-021-MY3 and the Center for Interdisciplinary Science under the MOE-ATU project for NCTU. The in situ experiment was performed at the Molecular Foundry at the Lawrence Berkeley National Laboratory, which is supported by the Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 50 TC 1 Z9 1 U1 1 U2 27 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 2015 VL 15 IS 6 BP 4121 EP 4128 DI 10.1021/acs.nanolett.5b01234 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 CK6CU UT WOS:000356316900070 PM 25965773 ER PT J AU Adak, O Rosenthal, E Meisner, J Andrade, EF Pasupathy, AN Nuckolls, C Hybertsen, MS Venkataraman, L AF Adak, Olgun Rosenthal, Ethan Meisner, Jeffer Andrade, Erick F. Pasupathy, Abhay N. Nuckolls, Colin Hybertsen, Mark S. Venkataraman, Latha TI Flicker Noise as a Probe of Electronic Interaction at Metal-Single Molecule Interfaces SO NANO LETTERS LA English DT Article DE Single-molecule junctions; flicker noise; 1/f noise; through-bond coupling; through-space coupling; density functional theory ID AUGMENTED-WAVE METHOD; QUANTUM INTERFERENCE; JUNCTION CONDUCTANCE; FLUCTUATIONS; CONTACTS; RESISTANCE; TRANSPORT; GOLD AB Charge transport properties of metal molecule interfaces depend strongly on the character of molecule electrode interactions. Although through-bond coupled systems have attracted the most attention, through-space coupling is important in molecular systems when, for example, through-bond coupling is suppressed due to quantum interference effects. To date, a probe that clearly distinguishes these two types of coupling has not yet been demonstrated. Here, we investigate the origin of flicker noise in single molecule junctions and demonstrate how the character of the molecule electrode coupling influences the flicker noise behavior of single molecule junctions. Importantly, we find that flicker noise shows a power law dependence on conductance in all junctions studied with an exponent that can distinguish through-spate and through-bond coupling. Our results provide a new and powerful tool for probing and understanding coupling at the metal-molecule interface. C1 [Adak, Olgun; Venkataraman, Latha] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Rosenthal, Ethan; Pasupathy, Abhay N.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Meisner, Jeffer; Andrade, Erick F.; Nuckolls, Colin] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Hybertsen, Mark S.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Hybertsen, MS (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM mhyberts@bnl.gov; lv2117@columbia.edu OI Hybertsen, Mark S/0000-0003-3596-9754; Venkataraman, Latha/0000-0002-6957-6089 FU NSF [DMR-1122594]; U.S. DOE Office of Science User Facility, at Brookhaven National Laboratory [DE-SC0012704]; NSF-DMR [1056527] FX The experimental portion of this work was supported by the NSF under Award DMR-1122594. A portion of this work was performed using facilities in the Center for Functional Nanomaterials, which is a U.S. DOE Office of Science User Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704. E.R. and A.N.P. were supported by NSF-DMR 1056527. NR 40 TC 6 Z9 6 U1 3 U2 33 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 2015 VL 15 IS 6 BP 4143 EP 4149 DI 10.1021/acs.nanolett.5b01270 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 CK6CU UT WOS:000356316900073 PM 25942441 ER PT J AU Yang, SL Sobota, JA Leuenberger, D Kemper, AF Lee, JJ Schmitt, FT Li, W Moore, RG Kirchmann, PS Shen, ZX AF Yang, Shuolong Sobota, Jonathan A. Leuenberger, Dominik Kemper, Alexander F. Lee, James J. Schmitt, Felix T. Li, Wei Moore, Rob G. Kirchmann, Patrick S. Shen, Zhi-Xun TI Thickness-Dependent Coherent Phonon Frequency in Ultrathin FeSe/SrTiO3 Films SO NANO LETTERS LA English DT Article DE Ultrathin films; time-resolved photoemission; coherent phonons; high-temperature superconductivity ID HIGH-TEMPERATURE SUPERCONDUCTIVITY; PHASE-DIAGRAM; DENSITY-WAVE; FESE FILMS; PRESSURE; BAFE2AS2; ORIGIN AB Ultrathin FeSe films grown on SrTiO3 substrates are a recent milestone in atomic material engineering due to their important role in understanding unconventional superconductivity in Fe-based materials. By using femtosecond time- and angle-resolved photoelectron spectroscopy, we study phonon frequencies in ultrathin FeSe/SrTiO3 films grown by molecular beam epitaxy. After optical excitation, we observe periodic modulations of the photoelectron spectrum as a function of pumpprobe delay for 1-unit-cell, 3-unit-cell, and 60-unit-cell thick FeSe films. The frequencies of the coherent intensity oscillations increase from 5.00 +/- 0.02 to 5.25 +/- 0.02 THz with increasing film thickness. By comparing with previous works, we attribute this mode to the Se A1g phonon. The dominant mechanism for the phonon softening in 1-unit-cell thick FeSe films is a substrate-induced lattice strain. Our results demonstrate an abrupt phonon renormalization due to a lattice mismatch between the ultrathin film and the substrate. C1 [Yang, Shuolong; Sobota, Jonathan A.; Leuenberger, Dominik; Lee, James J.; Schmitt, Felix T.; Li, Wei; Moore, Rob G.; Kirchmann, Patrick S.; Shen, Zhi-Xun] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Yang, Shuolong; Leuenberger, Dominik; Lee, James J.; Schmitt, Felix T.; Li, Wei; Moore, Rob G.; Shen, Zhi-Xun] Stanford Univ, Dept Phys, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Yang, Shuolong; Leuenberger, Dominik; Lee, James J.; Schmitt, Felix T.; Li, Wei; Moore, Rob G.; Shen, Zhi-Xun] Stanford Univ, Dept Appl Phys, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Sobota, Jonathan A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Kemper, Alexander F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Chem Mat & Climate Grp, Berkeley, CA 94720 USA. RP Kirchmann, PS (reprint author), SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM kirchman@slac.stanford.edu; zxshen@stanford.edu RI Kemper, Alexander/F-8243-2016; Kirchmann, Patrick/C-1195-2008; OI Kemper, Alexander/0000-0002-5426-5181; Kirchmann, Patrick/0000-0002-4835-0654; Yang, Shuolong/0000-0002-8200-9898 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-76SF00515]; Stanford Graduate Fellowship; Swiss National Science Foundation [P30022-151328]; National Science Foundation [PHYS-1066293] FX The authors thank Hadas Soifer for stimulating discussions. This work was primarily supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division under Contract No. DE-AC02-76SF00515. S.-L.Y. acknowledges support by the Stanford Graduate Fellowship. J.A.S. acknowledges support from Zahid Hussain. D.L. acknowledges support from the Swiss National Science Foundation, under the Fellowship No. P30022-151328. The contribution of P.S.K. was supported in part by the National Science Foundation under Grant No. PHYS-1066293 and the hospitality of the Aspen Center for Physics. NR 34 TC 4 Z9 4 U1 5 U2 66 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 2015 VL 15 IS 6 BP 4150 EP 4154 DI 10.1021/acs.nanolett.5b01274 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 CK6CU UT WOS:000356316900074 PM 26027951 ER PT J AU Eidietis, NW Gerhardt, SP Granetz, RS Kawano, Y Lehnen, M Lister, JB Pautasso, G Riccardo, V Tanna, RL Thornton, AJ AF Eidietis, N. W. Gerhardt, S. P. Granetz, R. S. Kawano, Y. Lehnen, M. Lister, J. B. Pautasso, G. Riccardo, V. Tanna, R. L. Thornton, A. J. CA ITPA Disruption Database Participa TI The ITPA disruption database SO NUCLEAR FUSION LA English DT Article DE magnetic confinement; equilibrium; tokamaks ID ALCATOR-C-MOD; DIII-D TOKAMAK; HALO CURRENTS; GAS-JET; OPERATIONAL LIMITS; MHD STABILITY; CHAPTER 3; MITIGATION; PLASMA; IMPURITY AB A multi-device database of disruption characteristics has been developed under the auspices of the International Tokamak Physics Activity magneto-hydrodynamics topical group. The purpose of this ITPA disruption database (IDDB) is to find the commonalities between the disruption and disruption mitigation characteristics in a wide variety of tokamaks in order to elucidate the physics underlying tokamak disruptions and to extrapolate toward much larger devices, such as ITER and future burning plasma devices. In contrast to previous smaller disruption data collation efforts, the IDDB aims to provide significant context for each shot provided, allowing exploration of a wide array of relationships between pre-disruption and disruption parameters. The IDDB presently includes contributions from nine tokamaks, including both conventional aspect ratio and spherical tokamaks. An initial parametric analysis of the available data is presented. This analysis includes current quench rates, halo current fraction and peaking, and the effectiveness of massive impurity injection. The IDDB is publicly available, with instruction for access provided herein. C1 [Eidietis, N. W.] Gen Atom, San Diego, CA 92186 USA. [Gerhardt, S. P.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Granetz, R. S.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Kawano, Y.] Japan Atom Energy Agcy, Naka, Ibaraki 3110193, Japan. [Lehnen, M.] ITER Org, F-13067 St Paul Les Durance, France. [Lister, J. B.] Ecole Polytech Fed Lausanne, Ctr Rech Phys Plasmas, CH-1015 Lausanne, Switzerland. [Pautasso, G.] Max Planck Inst Plasma Phys, D-85748 Garching, Germany. [Riccardo, V.; Thornton, A. J.] CCFE, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Tanna, R. L.] Inst Plasma Res, Bhat 382428, Gandhinagar, India. RP Eidietis, NW (reprint author), Gen Atom, POB 85608, San Diego, CA 92186 USA. EM eidietis@fusion.gat.com RI EPFL, Physics/O-6514-2016; OI riccardo, valeria/0000-0003-2535-5257 FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences; DOE Office of Science [DE-FC02-04ER54698, DE-FC02-99ER54512-CMOD, DE-AC02-09CH11466]; Department of Atomic Energy (DAE), Government of India; Japan Atomic Energy Agency; Fonds National Suisse de la Recherche Scientifique; RCUK Energy Programme [EP/I501045]; European Union FX This material is based upon work supported in part by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences, using the DIII-D National Fusion Facility, a DOE Office of Science user facility, under awards DE-FC02-04ER54698, DE-FC02-99ER54512-CMOD, DE-AC02-09CH11466, the Department of Atomic Energy (DAE), Government of India, the JT-60 project of Japan Atomic Energy Agency, the Fonds National Suisse de la Recherche Scientifique, the RCUK Energy Programme (grant number EP/I501045), and by the European Union's Horizon 2020 research and innovation programme. DIII-D data shown in this paper can be obtained in digital format by following the links at https://fusion.gat.com/global/D3D DMP. The authors gratefully acknowledge the substantial effort and insight of J.C. Wesley in initiating and overseeing the early development of the IDDB, in addition to the scientific and operational teams at ADITYA, Alcator C-Mod, ASDEX Upgrade, DIII-D,JET, JT-60U, MAST, NSTX, and TCV for their assistance in obtaining and analysing the data presented herein. The International Tokamak Physics Activity now operates under the auspices of ITER International Organization. Views and opinions expressed herein do not necessarily reflect those of the ITER Organization or the European Commission. NR 63 TC 8 Z9 8 U1 1 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2015 VL 55 IS 6 AR 063030 DI 10.1088/0029-5515/55/6/063030 PG 16 WC Physics, Fluids & Plasmas SC Physics GA CK5BG UT WOS:000356236500032 ER PT J AU Gi, K Ono, Y Nakamura, M Someya, Y Utoh, H Tobita, K Ono, M AF Gi, Keii Ono, Yasushi Nakamura, Makoto Someya, Youji Utoh, Hiroyasu Tobita, Kenji Ono, Masayuki TI Conceptual design study of the moderate size superconducting spherical tokamak power plant SO NUCLEAR FUSION LA English DT Article DE spherical tokamak; reactor design; system design; plasma physics design; ramp-up scenario ID REACTOR; PLASMA; STABILITY AB A new conceptual design of the superconducting spherical tokamak (ST) power plant was proposed as an attractive choice for tokamak fusion reactors. We reassessed a possibility of the ST as a power plant using the conservative reactor engineering constraints often used for the conventional tokamak reactor design. An extensive parameters scan which covers all ranges of feasible superconducting ST reactors was completed, and five constraints which include already achieved plasma magnetohydrodynamic (MHD) and confinement parameters in ST experiments were established for the purpose of choosing the optimum operation point. Based on comparison with the estimated future energy costs of electricity (COEs) in Japan, cost-effective ST reactors can be designed if their COEs are smaller than 120 mills k W-1 h(-1) ($2013). We selected the optimized design point: A = 2.0 and R-p = 5.4m after considering the maintenance scheme and TF ripple. Aself-consistent free-boundary MHD equilibrium and poloidal field coil configuration of the ST reactor were designed by modifying the neutral beam injection system and plasma profiles. The MHD stability of the equilibrium was analysed and a ramp-up scenario was considered for ensuring the new ST design. The optimized moderate-size ST power plant conceptual design realizes realistic plasma and fusion engineering parameters keeping its economic competitiveness against existing energy sources in Japan. C1 [Gi, Keii; Ono, Yasushi] Univ Tokyo, Bunkyo Ku, Tokyo 1130032, Japan. [Nakamura, Makoto; Someya, Youji; Utoh, Hiroyasu; Tobita, Kenji] Japan Atom Energy Agcy, Aomori 0393212, Japan. [Ono, Masayuki] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Gi, K (reprint author), Univ Tokyo, Bunkyo Ku, Tokyo 1130032, Japan. EM gi@ts.t.u-tokyo.ac.jp OI Gi, Keii/0000-0003-3532-2272 FU NSTX-U group; Japan Society for the Promotion of Science (JSPS) [24-1756]; JSPS Core-to-Core program [22001]; JSPS A3 Foresight Program 'Innovative Tokamak Plasma Startup and Current Drive in Spherical Torus'; [22246119]; [22656208] FX The authors would like to thank the NSTX-U group for their advice and support. This work was supported by Grant-in-Aid from the Japan Society for the Promotion of Science (JSPS) Fellows (24-1756), Grand-in-Aid for Scientific Research (A) No. 22246119, Grant-in-Aid for Challenging Exploratory Research No. 22656208, JSPS Core-to-Core program No. 22001, and JSPS A3 Foresight Program 'Innovative Tokamak Plasma Startup and Current Drive in Spherical Torus.' NR 38 TC 1 Z9 1 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 2015 VL 55 IS 6 AR 063036 DI 10.1088/0029-5515/55/6/063036 PG 14 WC Physics, Fluids & Plasmas SC Physics GA CK5BG UT WOS:000356236500038 ER PT J AU Kessel, CE Koechl, F Kim, SH AF Kessel, C. E. Koechl, F. Kim, S. H. TI Examination of the entry to burn and burn control for the ITER 15 MA baseline and hybrid scenarios SO NUCLEAR FUSION LA English DT Article DE ITER; tokamak; integrated simulation; burn control ID TRANSPORT BARRIERS; PHYSICS BASIS; DIII-D; TOKAMAKS; MODEL; SIMULATION; INJECTION; HEAT AB The entry to burn and flattop burn control in ITER will be a critical need from the first DT experiments. Simulations are used to address time-dependent behaviour under a range of possible conditions that include injected power level, impurity content (W, Ar, Be), density evolution, H-mode regimes, controlled parameter (W-th, P-net, P-fusion), and actuator (P-aux, fuelling, f(Ar)), with a range of transport models. A number of physics issues at the L-H transition require better understanding to project to ITER, however, simulations indicate viable control with sufficient auxiliary power (up to 73 MW), while lower powers become marginal (as low as 43 MW). C1 [Kessel, C. E.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Koechl, F.] TU Wein, Atominst, Assoc EURATOM OAW ATI, Vienna, Austria. [Kim, S. H.] ITER Org, F-13067 St Paul Les Durance, France. RP Kessel, CE (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM ckessel@pppl.gov FU US Department of Energy [DE-AC02-CH0911466] FX This work is partially supported by the US Department of Energy under DE-AC02-CH0911466. The views and opinions expressed herein do not necessarily reflect those of the ITER Organization. NR 47 TC 0 Z9 0 U1 0 U2 4 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 2015 VL 55 IS 6 AR 063038 DI 10.1088/0029-5515/55/6/063038 PG 12 WC Physics, Fluids & Plasmas SC Physics GA CK5BG UT WOS:000356236500040 ER PT J AU Kojima, A Umeda, N Hanada, M Yoshida, M Kashiwagi, M Tobari, H Watanabe, K Akino, N Komata, M Mogaki, K Sasaki, S Seki, N Nemoto, S Shimizu, T Endo, Y Ohasa, K Dairaku, M Yamanaka, H Grisham, LR AF Kojima, A. Umeda, N. Hanada, M. Yoshida, M. Kashiwagi, M. Tobari, H. Watanabe, K. Akino, N. Komata, M. Mogaki, K. Sasaki, S. Seki, N. Nemoto, S. Shimizu, T. Endo, Y. Ohasa, K. Dairaku, M. Yamanaka, H. Grisham, L. R. TI Progress in long-pulse production of powerful negative ion beams for JT-60SA and ITER SO NUCLEAR FUSION LA English DT Article DE negative ion source; JT-60SA; ITER; neutral beam injector ID INJECTION AB Significant progress in the extension of pulse durations of powerful negative ion beams has been made to realize the neutral beam injectors for JT-60SA and ITER. In order to overcome common issues of the long-pulse production/acceleration of negative ion beams in JT-60SA and ITER, new technologies have been developed in the JT-60SA ion source and the MeV accelerator in Japan Atomic Energy Agency. As for the long-pulse production of high-current negative ions for the JT-60SA ion source, the pulse durations have been successfully increased from 30 s at 13A on JT-60U to 100 s at 15A by modifying the JT-60SA ion source, which satisfies the required pulse duration of 100 s and 70% of the rated beam current for JT-60SA. This progress was based on the R&D efforts for the temperature control of the plasma grid and uniform negative ion productions with the modified tent-shaped filter field configuration. Moreover, each parameter of the required beam energy, current and pulse has been achieved individually by these R&D efforts. The developed techniques are useful to design the ITER ion source because the sustainment of the caesium coverage in the large extraction area is one of the common issues between JT-60SA and ITER. As for the long-pulse acceleration of high power density beams in the MeV accelerator for ITER, the pulse duration of MeV-class negative ion beams has been extended by more than 2 orders of magnitude by modifying the extraction grid with a high cooling capability and a high transmission of negative ions. A long-pulse acceleration of 60 s has been achieved at 70MW m(-2) (683 keV, 100 A m(-2)) which has reached the power density of JT-60SA level of 65 MW m(-2). No degradations of the voltage holding capability of the acceleration voltage and the beam optics due to the distortion of the acceleration grids have been observed in this power density level. These results are the longest pulse durations of high-current and high-power-density negative ion beams in the world. C1 [Kojima, A.; Umeda, N.; Hanada, M.; Yoshida, M.; Kashiwagi, M.; Tobari, H.; Watanabe, K.; Akino, N.; Komata, M.; Mogaki, K.; Sasaki, S.; Seki, N.; Nemoto, S.; Shimizu, T.; Endo, Y.; Ohasa, K.; Dairaku, M.; Yamanaka, H.] Japan Atom Energy Agcy, Naka, Ibaraki 3110193, Japan. [Grisham, L. R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Kojima, A (reprint author), Japan Atom Energy Agcy, Naka, Ibaraki 3110193, Japan. EM kojima.atsushi@jaea.go.jp NR 24 TC 6 Z9 6 U1 2 U2 4 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 2015 VL 55 IS 6 AR 063006 DI 10.1088/0029-5515/55/6/063006 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CK5BG UT WOS:000356236500008 ER PT J AU Liu, C Liu, YQ Liu, Y Hao, GZ Li, L Wang, ZR AF Liu, Chao Liu, Yueqiang Liu, Yue Hao, Guangzhou Li, Li Wang, Zhirui TI Effects of plasma shear flow on the RWM stability in ITER SO NUCLEAR FUSION LA English DT Article DE tokamak; plasma shear flow; kinetic effect; RWM ID RESISTIVE WALL MODES; FEEDBACK STABILIZATION; EXTERNAL-MODES; MHD MODES; TOKAMAKS; ROTATION; LIMITS AB Rotational stabilization of the resistive wall mode (RWM), with varying E x B flow shear and the radial location of peak shear, is systematically investigated using the MARS-K code (Liu et al 2008 Phys. Plasmas 15 112503), following a non-perturbative magnetohydrodynamic-kinetic hybrid approach. The equilibrium is based on a 9MA steady state target plasma from the ITER design, except for the plasma flow profile, which is significantly varied in this study. Generally two branches of unstable n = 1 kinetic RWMs are computed (n is the toroidal mode number), depending on the flow amplitude. The first unstable branch, which is normally the more unstable one, is sensitively affected by both the local flow shear as well as the radial location of the peak amplitude of the shear. On the contrary, the second unstable branch, which is often weakly unstable, is less affected by the flow shear. Consequently, stability domains are computationally mapped out in relevant two-dimensional parameter spaces. C1 [Liu, Chao; Liu, Yue] Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Ion & Elect Beams, Dalian 116024, Peoples R China. [Liu, Yueqiang] CCFE, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Liu, Yueqiang; Hao, Guangzhou] Southwestern Inst Phys, Chengdu 610041, Peoples R China. [Li, Li] Donghua Univ, Coll Sci, Shanghai 201620, Peoples R China. [Wang, Zhirui] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Liu, YQ (reprint author), CCFE, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. EM Yueqiang.Liu@ccfe.ac.uk; liuyue@dlut.edu.cn FU National Natural Science Foundation of China (NSFC) [11275041, 11428512, 11405029, 11205051]; European Union's Horizon research and innovation programme [633053]; RCUK Energy Programme [EP/I501045] FX We thank Guoliang Xia and Yuling He for helpful discussions during this work. This work is funded the National Natural Science Foundation of China (NSFC) (Grant #11275041). This project is also partly funded by the European Union's Horizon 2020 research and innovation programme under grant agreement number 633053, the RCUK Energy Programme (Grant number EP/I501045), and the National Natural Science Foundation of China (NSFC) (Grant #11428512, Grant #11405029 and Grant #11205051). The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 45 TC 2 Z9 2 U1 4 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 2015 VL 55 IS 6 AR 063022 DI 10.1088/0029-5515/55/6/063022 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CK5BG UT WOS:000356236500024 ER PT J AU Liu, YQ Akers, R Chapman, IT Gribov, Y Hao, GZ Huijsmans, GTA Kirk, A Loarte, A Pinches, SD Reinke, M Ryan, D Sun, Y Wang, ZR AF Liu, Yueqiang Akers, R. Chapman, I. T. Gribov, Y. Hao, G. Z. Huijsmans, G. T. A. Kirk, A. Loarte, A. Pinches, S. D. Reinke, M. Ryan, D. Sun, Y. Wang, Z. R. TI Modelling toroidal rotation damping in ITER due to external 3D fields SO NUCLEAR FUSION LA English DT Article DE momentum flux; RMP fields; single fluid models; MHD-kinetic hybrid models ID X-POINT GEOMETRY; STABILITY; PLASMAS; MODES AB The linear and quasi-linear plasma response to the n = 3 and n = 4 (n is the toroidal mode number) resonant magnetic perturbation (RMP) fields, produced by the in-vessel edge localized mode control coils, is numerically studied for an ITER 15MA H-mode baseline scenario. Both single fluid and fluid-kinetic hybrid models are used. The inclusion of drift kinetic effects does not strongly alter the plasma response compared to the fluid approximation for this ITER plasma. The full toroidal drift kinetic model is also used to compute the neoclassical toroidal viscous (NTV) torque, yielding results close to that of an analytic model based on geometric simplifications. The computed NTV torque from low-n RMP fields is generally smaller than the resonant electromagnetic torque for this ITER plasma. The linear response computations show a weak core kink response, contrary to a strong kink response often computed for plasmas from present day tokamak devices. Initial value quasi-linear simulations, including various torque models, show a localized damping of the plasma toroidal flow near the edge, as a result of the applied RMP fields. This localized rotation damping can be weak or strong depending on whether a weakly unstable edge localized peeling mode is present. No qualitative difference is found between the n = 3 and n = 4 RMP field configurations, in both the linear and non-linear response results. C1 [Liu, Yueqiang; Akers, R.; Chapman, I. T.; Kirk, A.] CCFE, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Liu, Yueqiang; Hao, G. Z.] Southwestern Inst Phys, Chengdu 610041, Peoples R China. [Liu, Yueqiang] Chalmers, Dept Earth & Space Sci, SE-41296 Gothenburg, Sweden. [Gribov, Y.; Huijsmans, G. T. A.; Loarte, A.; Pinches, S. D.] ITER Org, F-13067 St Paul Les Durance, France. [Reinke, M.; Ryan, D.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. [Sun, Y.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. [Wang, Z. R.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Liu, YQ (reprint author), CCFE, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. EM yueqiang.liu@ccfe.ac.uk FU European Union's Horizon research and innovation programme [633053]; RCUK Energy Programme [EP/I501045]; National Natural Science Foundation of China (NSFC) [11428512] FX This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement number 633053 and from the RCUK Energy Programme [grant number EP/I501045]. Work is also part funded by National Natural Science Foundation of China (NSFC) [grant number 11428512]. The views and opinions expressed herein do not necessarily reflect those of the European Commission or the ITER Organization. NR 41 TC 6 Z9 6 U1 2 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2015 VL 55 IS 6 AR 063027 DI 10.1088/0029-5515/55/6/063027 PG 14 WC Physics, Fluids & Plasmas SC Physics GA CK5BG UT WOS:000356236500029 ER PT J AU Moreau, D Artaud, JF Ferron, JR Holcomb, CT Humphreys, DA Liu, F Luce, TC Park, JM Prater, R Turco, F Walker, ML AF Moreau, D. Artaud, J. F. Ferron, J. R. Holcomb, C. T. Humphreys, D. A. Liu, F. Luce, T. C. Park, J. M. Prater, R. Turco, F. Walker, M. L. TI Combined magnetic and kinetic control of advanced tokamak steady state scenarios based on semi-empirical modelling SO NUCLEAR FUSION LA English DT Article DE tokamaks; plasma control; plasma simulation; profile control; steady state operation scenarios; heating and current drive ID TIME PROFILE CONTROL AB This paper shows that semi-empirical data-driven models based on a two-time-scale approximation for the magnetic and kinetic control of advanced tokamak (AT) scenarios can be advantageously identified from simulated rather than real data, and used for control design. The method is applied to the combined control of the safety factor profile, q(x), and normalized pressure parameter, beta(N), using DIII-D parameters and actuators (on-axis co-current neutral beam injection (NBI) power, off-axis co-current NBI power, electron cyclotron current drive power, and ohmic coil). The approximate plasma response model was identified from simulated open-loop data obtained using a rapidly converging plasma transport code, METIS, which includes an MHD equilibrium and current diffusion solver, and combines plasma transport nonlinearity with 0D scaling laws and 1.5D ordinary differential equations. The paper discusses the results of closed-loop METIS simulations, using the near-optimal ARTAEMIS control algorithm (MoreauDet al 2013 Nucl. Fusion 53 063020) for steady stateAT operation. With feedforward plus feedback control, the steady state target q-profile and beta(N) are satisfactorily tracked with a time scale of about 10 s, despite large disturbances applied to the feedforward powers and plasma parameters. The robustness of the control algorithm with respect to disturbances of the H&CD actuators and of plasma parameters such as the H-factor, plasma density and effective charge, is also shown. C1 [Moreau, D.; Artaud, J. F.; Liu, F.] CEA, IRFM, F-13108 St Paul Les Durance, France. [Holcomb, C. T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Park, J. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Turco, F.] Columbia Univ, New York, NY 10027 USA. [Ferron, J. R.; Humphreys, D. A.; Luce, T. C.; Prater, R.; Walker, M. L.] Gen Atom, San Diego, CA 92186 USA. RP Moreau, D (reprint author), CEA, IRFM, F-13108 St Paul Les Durance, France. EM didier.moreau@cea.fr RI Artaud, Jean-Francois/J-2068-2012 FU European Communities; EUROfusion Consortium; European Union's Horizon research and innovation programme [633053]; US Department of Energy, Office of Science, Office of Fusion Energy Sciences; DOE Office of Science user facility [DE-FC02-04ER54698, DE-AC52-07NA27344, DE-AC05-00OR22725, DE-FG02-04ER54761] FX This work was supported by the European Communities under contract of Association between EURATOM and CEA, was carried out within the framework of the European Fusion Development Agreement and the EUROfusion Consortium, and has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement number 633053 and from the US Department of Energy, Office of Science, Office of Fusion Energy Sciences, using the DIII-D National Fusion Facility, a DOE Office of Science user facility, under Awards DE-FC02-04ER54698, DE-AC52-07NA27344, DE-AC05-00OR22725, and DE-FG02-04ER54761. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 17 TC 1 Z9 1 U1 5 U2 8 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 2015 VL 55 IS 6 AR 063011 DI 10.1088/0029-5515/55/6/063011 PG 13 WC Physics, Fluids & Plasmas SC Physics GA CK5BG UT WOS:000356236500013 ER PT J AU Moser, L Marot, L Eren, B Steiner, R Mathys, D Leipold, F Reichle, R Meyer, E AF Moser, L. Marot, L. Eren, B. Steiner, R. Mathys, D. Leipold, F. Reichle, R. Meyer, E. TI Towards plasma cleaning of ITER first mirrors SO NUCLEAR FUSION LA English DT Article DE first mirror; ITER; plasma cleaning; reflectivity; XPS ID FILMS; DEPOSITION; COATINGS; TUNGSTEN; SURFACE; PERFORMANCE; BOMBARDMENT; MORPHOLOGY; BERYLLIUM; CORROSION AB To avoid reflectivity losses in ITER's optical diagnostic systems, on-site cleaning of metallic first mirrors via plasma sputtering is foreseen to remove deposit build-ups migrating from the main wall. In this work, the influence of aluminium and tungsten deposits on the reflectivity of molybdenum mirrors as well as the possibility to clean them with plasma exposure is investigated. Porous ITER-like deposits are grown to mimic the edge conditions expected in ITER, and a severe degradation in the specular reflectivity is observed as these deposits build up on the mirror surface. In addition, dense oxide films are produced for comparisons with porous films. The composition, morphology and crystal structure of several films were characterized by means of scanning electron microscopy, x-ray photoelectron spectroscopy, x-ray diffraction and secondary ion mass spectrometry. The cleaning of the deposits and the restoration of the mirrors' optical properties are possible either with a Kaufman source or radio frequency directly applied to the mirror (or radio frequency plasma generated directly around the mirror surface). Accelerating ions of an external plasma source through a direct current applied onto the mirror does not remove deposits composed of oxides. A possible implementation of plasma cleaning in ITER is addressed. C1 [Moser, L.; Marot, L.; Eren, B.; Steiner, R.; Meyer, E.] Univ Basel, Dept Phys, CH-4056 Basel, Switzerland. [Eren, B.] Lawrence Livermore Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Mathys, D.] Univ Basel, Ctr Microscopy, CH-4056 Basel, Switzerland. [Leipold, F.; Reichle, R.] ITER Org, F-13115 St Paul Les Durance, France. RP Moser, L (reprint author), Univ Basel, Dept Phys, Klingelbergstr 82, CH-4056 Basel, Switzerland. EM lucas.moser@unibas.ch RI Meyer, Ernst/L-3873-2016; Eren, Baran/A-9644-2013; Marot, Laurent/A-5834-2008; leipold, frank/A-3216-2012 OI Meyer, Ernst/0000-0001-6385-3412; Marot, Laurent/0000-0002-1529-9362; FU ITER Organization under I/O [ITER/CT/12/4300000557]; Swiss Federal Office of Energy; Federal Office for Education and Science; Swiss National Foundation (SNF); Swiss National Insitute (SNI); National Center of Competence in Research on Nanoscale Science (NCCR-Nano) FX This work was supported by the ITER Organization under I/O Contract ITER/CT/12/4300000557. The views and opinions expressed herein do not necessarily reflect those of the ITER Organization. The Swiss Federal Office of Energy, the Federal Office for Education and Science, the Swiss National Foundation (SNF), the Swiss National Insitute (SNI) and the National Center of Competence in Research on Nanoscale Science (NCCR-Nano) are acknowledged for their financial support. J Whitby and L Philippe from EMPA Thun are gratefully acknowledged for performing the SIMS analysis. NR 42 TC 10 Z9 10 U1 1 U2 14 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 2015 VL 55 IS 6 AR 063020 DI 10.1088/0029-5515/55/6/063020 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CK5BG UT WOS:000356236500022 ER PT J AU Osborne, TH Jackson, GL Yan, Z Maingi, R Mansfield, DK Grierson, BA Chrobak, CP McLean, AG Allen, SL Battaglia, DJ Briesemeister, AR Fenstermacher, ME McKee, GR Snyder, PB AF Osborne, T. H. Jackson, G. L. Yan, Z. Maingi, R. Mansfield, D. K. Grierson, B. A. Chrobak, C. P. McLean, A. G. Allen, S. L. Battaglia, D. J. Briesemeister, A. R. Fenstermacher, M. E. McKee, G. R. Snyder, P. B. CA DIII-D Team TI Enhanced H-mode pedestals with lithium injection in DIII-D SO NUCLEAR FUSION LA English DT Article DE DIII-D; pedestal; H-mode; lithium ID EDGE LOCALIZED MODES; COLLISIONALITY REGIME; D TOKAMAK; STABILITY; CONFINEMENT; DISCHARGES; ELMS; SPECTROSCOPY; PLASMAS; PHYSICS AB Periods of edge localized mode (ELM)-free H-mode with increased pedestal pressure and width were observed in the DIII-D tokamak when density fluctuations localized to the region near the separatrix were present. Injection of a powder of 45 mu m diameter lithium particles increased the duration of the enhanced pedestal phases to up to 350 ms, and also increased the likelihood of a transition to the enhanced phase. Lithium injection at a level sufficient for triggering the extended enhanced phases resulted in significant lithium in the plasma core, but carbon and other higher Z impurities as well as radiated power levels were reduced. Recycling of the working deuterium gas appeared unaffected by this level of lithium injection. The ion scale, k(theta)rho(s) similar to 0.1-0.2, density fluctuations propagated in the electron drift direction with f similar to 80 kHz and occurred in bursts every similar to 1 ms. The fluctuation bursts correlated with plasma loss resulting in a flattening of the pressure profile in a region near the separatrix. This localized flattening allowed higher overall pedestal pressure at the peeling-ballooning stability limit and higher pressure than expected under the EPED model due to reduction of the pressure gradient below the 'ballooning critical profile'. Reduction of the ion pressure by lithium dilution may contribute to the long ELM-free periods. C1 [Osborne, T. H.; Jackson, G. L.; Snyder, P. B.] Gen Atom, San Diego, CA 92186 USA. [Yan, Z.; McKee, G. R.] Univ Wisconsin, Madison, WI 53706 USA. [Maingi, R.; Mansfield, D. K.; Grierson, B. A.; Battaglia, D. J.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Chrobak, C. P.] Univ Calif San Diego, La Jolla, CA 92093 USA. [McLean, A. G.; Allen, S. L.; Fenstermacher, M. E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Briesemeister, A. R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Osborne, TH (reprint author), Gen Atom, POB 85608, San Diego, CA 92186 USA. EM osborne@fusion.gat.com OI Briesemeister, Alexis/0000-0003-3703-0978 FU US Department of Energy, Office of Science, Office of Fusion Energy Sciences, using the DIII-D National Fusion Facility, a DOE Office of Science user facility [DE-AC02-09CH11466, DE-FC02-04ER54698, DE-AC05-00OR22725, DE-AC52-07NA27344, DE-FG02-99ER54917, DE-FG02-89ER53296] FX This material is based upon work supported by the US Department of Energy, Office of Science, Office of Fusion Energy Sciences, using the DIII-D National Fusion Facility, a DOE Office of Science user facility, under Awards DE-AC02-09CH11466, DE-FC02-04ER54698, DE-AC05-00OR22725, DE-AC52-07NA27344, DE-FG02-99ER54917 and DE-FG02-89ER53296. DIII-D data shown in this paper can be obtained in digital format by following the links at https://fusion.gat.com/global/D3D_DMP. We gratefully acknowledge the contribution of the DIII-D technical staff. The powder used in this work is trademarked by FMC Corporation as Stabilized Li Metallic Powder (R) (SLMP (R)). NR 51 TC 18 Z9 18 U1 5 U2 35 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2015 VL 55 IS 6 AR 063018 DI 10.1088/0029-5515/55/6/063018 PG 20 WC Physics, Fluids & Plasmas SC Physics GA CK5BG UT WOS:000356236500020 ER PT J AU Reiman, A Ferraro, NM Turnbull, A Park, JK Cerfon, A Evans, TE Lanctot, MJ Lazarus, EA Liu, Y McFadden, G Monticello, D Suzuki, Y AF Reiman, A. Ferraro, N. M. Turnbull, A. Park, J. K. Cerfon, A. Evans, T. E. Lanctot, M. J. Lazarus, E. A. Liu, Y. McFadden, G. Monticello, D. Suzuki, Y. TI Tokamak plasma high field side response to an n=3 magnetic perturbation: a comparison of 3D equilibrium solutions from seven different codes SO NUCLEAR FUSION LA English DT Article DE 3D equilibrium; magnetic perturbation; ELM ID 3-DIMENSIONAL MAGNETOHYDRODYNAMIC EQUILIBRIA; SPECTRAL CODE AB In comparing equilibrium solutions for a DIII-D shot that is amenable to analysis by both stellarator and tokamak threedimensional (3D) equilibrium codes, a significant disagreement has been seen between solutions of the VMEC stellarator equilibrium code and solutions of tokamak perturbative 3D equilibrium codes. The source of that disagreement has been investigated, and that investigation has led to new insights into the domain of validity of the different equilibrium calculations, and to a finding that the manner in which localized screening currents at low order rational surfaces are handled can affect global properties of the equilibrium solution. The perturbative treatment has been found to break down at surprisingly small perturbation amplitudes due to overlap of the calculated perturbed flux surfaces, and that treatment is not valid in the pedestal region of the DIII-D shot studied. The perturbative treatment is valid, however, further into the interior of the plasma, and flux surface overlap does not account for the disagreement investigated here. Calculated equilibrium solutions for simple model cases and comparison of the 3D equilibrium solutions with those of other codes indicate that the disagreement arises from a difference in handling of localized currents at low order rational surfaces, with such currents being absent in VMEC and present in the perturbative codes. The significant differences in the global equilibrium solutions associated with the presence or absence of very localized screening currents at rational surfaces suggests that it may be possible to extract information about localized currents from appropriate measurements of global equilibrium plasma properties. That would require improved diagnostic capability on the high field side of the tokamak plasma, a region difficult to access with diagnostics. C1 [Reiman, A.; Park, J. K.; Monticello, D.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Ferraro, N. M.; Turnbull, A.; Evans, T. E.; Lanctot, M. J.] Gen Atom, San Diego, CA 92186 USA. [Cerfon, A.] NYU, New York, NY USA. [Lazarus, E. A.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Liu, Y.] Culham Sci Ctr, CCFE Fus Assoc, EURATOM, Abingdon, Oxon, England. [McFadden, G.] Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. [Suzuki, Y.] Natl Inst Fus Sci, Kyoto, Japan. RP Reiman, A (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. EM reiman@pppl.gov RI Lanctot, Matthew J/O-4979-2016; McFadden, Geoffrey/A-7920-2008 OI Lanctot, Matthew J/0000-0002-7396-3372; McFadden, Geoffrey/0000-0001-6723-2103 FU US Department of Energy [DE-ACO2-09CH11466, DE-FC02-04E854698, DE-FG02-95E854309, DE-AC05-000R22725, DE-FG02-86ER53223] FX This work was supported in part by the US Department of Energy under contracts DE-ACO2-09CH11466, DE-FC02-04E854698, DE-FG02-95E854309, DE-AC05-000R22725 and DE-FG02-86ER53223. NR 20 TC 7 Z9 7 U1 1 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD JUN PY 2015 VL 55 IS 6 AR 063026 DI 10.1088/0029-5515/55/6/063026 PG 8 WC Physics, Fluids & Plasmas SC Physics GA CK5BG UT WOS:000356236500028 ER PT J AU Nanda, J Martha, SK Kalyanaraman, R AF Nanda, Jagjit Martha, Surendra K. Kalyanaraman, Ramki TI High-capacity electrode materials for electrochemical energy storage: Role of nanoscale effects SO PRAMANA-JOURNAL OF PHYSICS LA English DT Article DE High capacity; cathode materials; Li-rich NMC; conversion cathodes; lithium-ion battery ID LITHIUM-ION BATTERIES; RICH COMPOSITION LI1.2MN0.525NI0.175CO0.1O2; CATHODE MATERIALS; PERFORMANCE; SURFACE; OXIDE; CHEMISTRY; FLUORIDE; ANODES AB This review summarizes the current state-of-the art electrode materials used for high-capacity lithium-ion-based batteries and their significant role towards revolutionizing the electrochemical energy storage landscape in the area of consumer electronics, transportation and grid storage application. We discuss the role of nanoscale effects on the electrochemical performance of high-capacity battery electrode materials. Decrease in the particle size of the primary electrode materials from micron to nanometre size improves the ionic and electronic diffusion rates significantly. Nanometre-thick solid electrolyte (such as lithium phosphorous oxynitride) and oxides (such as Al2O3, ZnO, TiO2 etc.) material coatings also improve the interfacial stability and rate capability of a number of battery chemistries. We elucidate these effects in terms of different high-capacity battery chemistries based on intercalation and conversion mechanism. C1 [Nanda, Jagjit] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Martha, Surendra K.] Indian Inst Technol Hyderabad, Dept Chem, Yeddumailaram 502205, India. [Kalyanaraman, Ramki] Univ Tennessee, Mat Sci & Engn Dept, Knoxville, TN 37994 USA. [Nanda, Jagjit; Kalyanaraman, Ramki] Univ Tennessee, Bredesen Ctr, Knoxville, TN USA. [Nanda, Jagjit; Kalyanaraman, Ramki] Univ Tennessee, Chem & Biomol Engn, Knoxville, TN 37994 USA. RP Nanda, J (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM nandaj@gmail.com OI kalyanaraman, ramki/0000-0002-5340-029X FU TN-SCORE [NSF-EPS-1004083] FX This work is supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy. RK acknowledges the support by TN-SCORE grant NSF-EPS-1004083. NR 43 TC 0 Z9 0 U1 8 U2 60 PU INDIAN ACAD SCIENCES PI BANGALORE PA C V RAMAN AVENUE, SADASHIVANAGAR, P B #8005, BANGALORE 560 080, INDIA SN 0304-4289 EI 0973-7111 J9 PRAMANA-J PHYS JI Pramana-J. Phys. PD JUN PY 2015 VL 84 IS 6 BP 1073 EP 1086 DI 10.1007/s12043-015-1006-8 PG 14 WC Physics, Multidisciplinary SC Physics GA CK8SX UT WOS:000356509700015 ER PT J AU Hooks, DE Ramos, KJ Bolme, CA Cawkwell, MJ AF Hooks, Daniel E. Ramos, Kyle J. Bolme, C. A. Cawkwell, Marc J. TI Elasticity of Crystalline Molecular Explosives SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Review DE Elasticity; Molecular crystals; Explosives ID CYCLOTRIMETHYLENE TRINITRAMINE RDX; DENSITY-FUNCTIONAL THEORY; EQUATION-OF-STATE; SINGLE-CRYSTALS; BETA-HMX; 1,3,5,7-TETRANITRO-1,3,5,7-TETRAAZACYCLOOCTANE HMX; BRILLOUIN-SCATTERING; SHOCK INITIATION; WAVE PROFILES; MONTE-CARLO AB Crystalline molecular explosives are key components of engineered explosive formulations. In precision applications a high degree of consistency and predictability is desired under a range of conditions to a variety of stimuli. Prediction of behaviors from mechanical response and failure to detonation initiation and detonation performance of the material is linked to accurate knowledge of the material structure and first stage of deformation: elasticity. The elastic response of pentaerythritol tetranitrate (PETN), cyclotrimethylene trinitramine (RDX), and cyclotetramethylene tetranitramine (HMX), including aspects of material and measurement variability, and computational methods are described in detail. Experimental determinations of elastic tensors are compared, and an evaluation of sources of error is presented. Computed elastic constants are also compared for these materials and for triaminotrinitrobenzene (TATB), for which there are no measurements. C1 [Hooks, Daniel E.; Ramos, Kyle J.; Bolme, C. A.; Cawkwell, Marc J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hooks, DE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM dhooks@lanl.gov OI Cawkwell, Marc/0000-0002-8919-3368; Bolme, Cynthia/0000-0002-1880-271X NR 117 TC 7 Z9 7 U1 7 U2 38 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 2015 VL 40 IS 3 SI SI BP 333 EP 350 DI 10.1002/prep.201400282 PG 18 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA CL0BL UT WOS:000356603400003 ER PT J AU Sullivan, KT Cervantes, O Densmore, JM Kuntz, JD Gash, AE Molitoris, JD AF Sullivan, Kyle T. Cervantes, Octavio Densmore, John M. Kuntz, Joshua D. Gash, Alexander E. Molitoris, John D. TI Quantifying Dynamic Processes in Reactive Materials: An Extended Burn Tube Test SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE Thermites; Reactive materials; Aluminum; Burn tube; Burn time; Flame propagation velocity ID MELT-DISPERSION MECHANISM; AL/CUO NANOSCALE THERMITE; REACTION PROPAGATION; ALUMINUM; COMBUSTION; NANOTHERMITES; COMPOSITES; OXIDATION; BEHAVIOR; NANOPARTICLES AB A common method for measuring the reactivity of rapidly deflagrating materials has been to loosely pack a desired mixture into an approx. 10 cm long x 3 mm diameter acrylic tube, ignite the material on one end, and report the observed self-propagating flame velocity through the material. While this method can yield qualitative information, linking this to quantitative intrinsic properties, such as particle burn time, has remained challenging. In this work, we significantly redesign the traditional burn tube experiment. Between 25 and 250 mg of nanocomposite aluminum/ copper oxide (Al/CuO) thermite is loosely packed into the capped end of a 1.8 m long tube, and the remainder of the tube is left unfilled. The material is ignited using a hot wire, resulting in a steadily-propagating luminous front, which extends part, or all, of the way down the length of the tube. We suggest the behavior is a result of "reactive entrainment", which occurs when the reaction time scale becomes longer than the characteristic momentum relaxation time scale. When this criterion is met, and when there are significant pressure gradients present or produced during the reaction, material will be entrained by the gases before and/or during the reaction; a behavior very different from conventional thermites, which use larger particle sizes. The effect of sample mass and tube diameter on propagation velocity is investigated, and we find a linear scaling with mass and a power law scaling with tube radius (r(-1.3)) between 1.56 and 4.76 mm radii. For several conditions, we observe the reaction complete; defined by the distance where the propagation velocity decreases to a fixed fraction of its steady value. The ratio of quench distance to propagation velocity was found to approach a constant value of 3.29 +/- 0.70 ms, which we suggest is the burn time of the Material. For the range of masses studied in this work, the burn time was found to be independent of mass, implying that it is an intrinsic particle burn time. We expect other quantitative information can be deduced from this experiment, so long as the chosen sample mass and tube dimensions allow one to observe the full extent of reaction. C1 [Sullivan, Kyle T.; Cervantes, Octavio; Densmore, John M.; Kuntz, Joshua D.; Gash, Alexander E.; Molitoris, John D.] Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94551 USA. RP Sullivan, KT (reprint author), Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94551 USA. EM sullivan34@llnl.gov FU Laboratory Directed Research and Development Strategic Initiative Program [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 Program 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. We would like to thank Jan Batteux and Greg Silva for help with the setup, Jeff Wardell for his support, and with Sam Weaver and the rest of the firing tank operation crew for their contributions. NR 30 TC 4 Z9 4 U1 1 U2 17 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 2015 VL 40 IS 3 SI SI BP 394 EP 401 DI 10.1002/prep.201400267 PG 8 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA CL0BL UT WOS:000356603400008 ER PT J AU Maiti, A Han, Y Zaka, F Gee, RH AF Maiti, Amitesh Han, Yong Zaka, Fowzia Gee, Richard H. TI In-situ Monitoring of Flow-Permeable Surface Area of High Explosive Powder using Small Sample Masses SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE Specific surface area; Flow permeametry; Powder coarsening ID CRYSTALS AB To ensure good performance of high explosive devices over long periods of time, initiating powders need to maintain their specific surface area within allowed margins during the entire duration of deployment. A common diagnostic used in this context is the Fisher sub-sieves surface area (FSSA). Commercial permeametry instruments measuring the FSSA requires the utilization of a sample mass equal to the crystal density of the sample material, an amount that is often one or two orders of magnitude larger than the typical masses found in standard detonator applications. Here we develop a customization of the standard device that can utilize just tens of milligram samples, and with simple calibration yield FSSA values at accuracy levels comparable to the standard apparatus. This necessitated a newly designed sample holder, made from a material of low coefficient of thermal expansion, which is conveniently transferred between an aging chamber and a re-designed permeametry tube. This improves the fidelity of accelerated aging studies by allowing measurement on the same physical sample at various time-instants during the aging process, and by obviating the need for a potentially FSSA-altering powder re-compaction step. We used the customized apparatus to monitor the FSSA evolution of a number of undoped and homolog-doped PETN powder samples that were subjected to artificial aging for several months at elevated temperatures. These results, in conjunction with an Arrhenius-based aging model were used to assess powder-coarsening-rates under long-term storage. C1 [Maiti, Amitesh; Han, Yong; Zaka, Fowzia; Gee, Richard H.] Lawrence Livermore Natl Lab, MSD, Livermore, CA 94550 USA. RP Gee, RH (reprint author), Lawrence Livermore Natl Lab, MSD, 7000 East Ave, Livermore, CA 94550 USA. EM gee10@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 17 TC 1 Z9 1 U1 2 U2 9 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 2015 VL 40 IS 3 SI SI BP 419 EP 425 DI 10.1002/prep.201400289 PG 7 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA CL0BL UT WOS:000356603400011 ER PT J AU Raber, J Marzull, T Stewart, B Kronenberg, A Turker, MS AF Raber, Jacob Marzull, Tessa Stewart, Blair Kronenberg, Amy Turker, Mitchell S. TI (28)Silicon Irradiation Impairs Contextual Fear Memory in B6D2F1 Mice SO RADIATION RESEARCH LA English DT Article ID MULTIPLE COMPARISON PROCEDURES; TRAIT LOCUS ANALYSIS; HIPPOCAMPAL NEUROGENESIS; FE-56-PARTICLE RADIATION; FE-56 IRRADIATION; SYNAPTIC PLASTICITY; MOUSE HIPPOCAMPUS; SPATIAL MEMORY; C57BL/6J MICE; EXTINCTION AB The space radiation environment consists of multiple species of charged particles, including Si-28, Ti-48 and protons that may impact cognition, but their damaging effects have been poorly defined. In mouse studies, C57Bl6/J homozygous wild-type mice and genetic mutant mice on a C57Bl6/J background have typically been used for assessing effects of space radiation on cognition. In contrast, little is known about the radiation response of mice on a heterozygous background. Therefore, in the current study we tested the effects of Si-28, Ti-48 and proton radiation on hippocampus-dependent contextual fear memory and hippocampus-independent cued fear memory in C57Bl6/J x DBA2/J F1 (B6D2F1) mice three months after irradiation. Contextual fear memory was impaired at a 1.6 Gy dose of Si-28 radiation, but not cued fear memory. Ti-48 or proton irradiation did not affect either type of memory. Based on earlier space radiation cognitive data in C57Bl6/J mice, these data highlight the importance of including different genetic backgrounds in studies aimed at assessing cognitive changes after exposure to space radiation. (C) 2015 by Radiation Research Society C1 [Raber, Jacob; Marzull, Tessa; Stewart, Blair] Oregon Hlth & Sci Univ, Dept Behav Neurosci, Portland, OR 97239 USA. [Raber, Jacob] Oregon Hlth & Sci Univ, Div Neurosci ONPRC, Neurol & Radiat Med, Portland, OR 97239 USA. [Turker, Mitchell S.] Oregon Hlth & Sci Univ, Oregon Inst Occupat Hlth Sci, Portland, OR 97239 USA. [Turker, Mitchell S.] Oregon Hlth & Sci Univ, Dept Mol & Med Genet, Portland, OR 97239 USA. [Kronenberg, Amy] Lawrence Berkeley Natl Lab, Dept Cell & Mol Biol, Div Life Sci, Berkeley, CA 94720 USA. RP Raber, J (reprint author), Oregon Hlth & Sci Univ, Dept Behav Neurosci, L470,3181SW Sam Jackson Pk Rd, Portland, OR 97239 USA. EM raberj@ohsu.edu FU National Aeronautics and Space Administration (NASA) [NNJ05HE63G, NNJ12ZSA001N, NNX10AC12G, NNJ12HB88I] FX The authors wish to thank Jessica Minnier for advice on the statistical analyses and Peter Guida, Adam Rusek, MaryAnn Petry and their staff members for their invaluable help at Brookhaven National Laboratory. This work was supported by National Aeronautics and Space Administration (NASA) grants NNJ05HE63G, NNJ12ZSA001N, NNX10AC12G and NNJ12HB88I. NR 43 TC 6 Z9 6 U1 0 U2 3 PU RADIATION RESEARCH SOC PI LAWRENCE PA 810 E TENTH STREET, LAWRENCE, KS 66044 USA SN 0033-7587 EI 1938-5404 J9 RADIAT RES JI Radiat. Res. PD JUN PY 2015 VL 183 IS 6 BP 708 EP 712 DI 10.1667/RR13951.1 PG 5 WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology, Nuclear Medicine & Medical Imaging GA CK7YI UT WOS:000356452600013 PM 26010712 ER PT J AU Berland, K Cooper, VR Lee, K Schroder, E Thonhauser, T Hyldgaard, P Lundqvist, BI AF Berland, Kristian Cooper, Valentino R. Lee, Kyuho Schroeder, Elsebeth Thonhauser, T. Hyldgaard, Per Lundqvist, Bengt I. TI van der Waals forces in density functional theory: a review of the vdW-DF method SO REPORTS ON PROGRESS IN PHYSICS LA English DT Review DE van der Waals forces; London dispersion interaction; sparse matter; density functional theory; physisorption; molecular crystals; intramolecular forces ID GENERALIZED-GRADIENT-APPROXIMATION; METAL-ORGANIC FRAMEWORKS; EXCHANGE-CORRELATION ENERGY; AROMATIC-HYDROCARBON DIMERS; INHOMOGENEOUS ELECTRON-GAS; RANDOM-PHASE-APPROXIMATION; VACUUM LEVEL SHIFTS; STACKING INTERACTIONS; WANNIER FUNCTIONS; NONCOVALENT INTERACTIONS AB A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in condensed matter, materials physics, chemistry, and biology is reviewed. The insights that led to the construction of the Rutgers-Chalmers van der Waals density functional (vdW-DF) are presented with the aim of giving a historical perspective, while also emphasizing more recent efforts which have sought to improve its accuracy. In addition to technical details, we discuss a range of recent applications that illustrate the necessity of including dispersion interactions in DFT. This review highlights the value of the vdW-DF method as a general-purpose method, not only for dispersion bound systems, but also in densely packed systems where these types of interactions are traditionally thought to be negligible. C1 [Berland, Kristian] Univ Oslo, Ctr Mat Sci & Nanotechnol, SMN, NO-0318 Oslo, Norway. [Cooper, Valentino R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Lee, Kyuho] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Lee, Kyuho] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Berland, Kristian; Schroeder, Elsebeth; Hyldgaard, Per] Chalmers, Microtechnol & Nanosci, MC2, SE-41296 Gothenburg, Sweden. [Thonhauser, T.] Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA. [Lundqvist, Bengt I.] Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden. RP Berland, K (reprint author), Univ Oslo, Ctr Mat Sci & Nanotechnol, SMN, NO-0318 Oslo, Norway. EM kristian.berland@smn.uio.no RI Cooper, Valentino /A-2070-2012; Schroder, Elsebeth/A-2030-2011; Foundry, Molecular/G-9968-2014; Hyldgaard, Per/A-2038-2011; OI Cooper, Valentino /0000-0001-6714-4410; Schroder, Elsebeth/0000-0003-4995-3585; Hyldgaard, Per/0000-0001-5810-8119; Berland, Kristian/0000-0002-4655-1233 FU Swedish Research Council [VR-2011-4052, VR-2010-4149]; Chalmers Area of Advance, Materials; US NSF Grant [DMR-1145968]; US Department of Energy Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-FG02-12ER16362] FX Our late colleague D Langreth was first invited by Reports on Progress in Physics (RoPP) to review our vdW-DF method. Sadly, David barely got time to start it. We owe him a lot and therefore dedicate this review to him. We thank K Z Soliman for the careful checking of the references. We also thank M Kuisma and T L Einstein for comments and discussions. Work by KB, ES, and PH was supported by the Swedish Research Council (VR) under grants VR-2011-4052 and VR-2010-4149 and by the Chalmers Area of Advance, Materials. TT acknowledges support from US NSF Grant No. DMR-1145968. VRC was supported by the US Department of Energy Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. KL was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences under award DE-FG02-12ER16362. NR 314 TC 78 Z9 78 U1 27 U2 165 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0034-4885 EI 1361-6633 J9 REP PROG PHYS JI Rep. Prog. Phys. PD JUN PY 2015 VL 78 IS 6 AR 066501 DI 10.1088/0034-4885/78/6/066501 PG 41 WC Physics, Multidisciplinary SC Physics GA CL2KU UT WOS:000356773500003 PM 25978530 ER PT J AU Liu, S Wu, JK Fan, CC Xue, GB Chen, HZ Xin, HLL Li, HY AF Liu, Shuang Wu, Jia-Ke Fan, Cong-Cheng Xue, Guo-Biao Chen, Hong-Zheng Xin, Huolin L. Li, Han-Ying TI Large-scale fabrication of field-effect transistors based on solution-grown organic single crystals SO SCIENCE BULLETIN LA English DT Article DE Organic single-crystal transistors; Large scale; High mobility; Solution process ID CHARGE-TRANSPORT; CONTROLLED DEPOSITION; SOLUTION-PHASE; MOBILITY; SEMICONDUCTORS; PENTACENE; MICRORIBBONS; EVAPORATION; NANOWIRES; STRAIN AB A simple solution processing method was developed to grow large-scale well-aligned single crystals including 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene), anthracene, tetracene, perylene, C-60 and tetracyanoquinodimethane. As pinned by a solid needle, a droplet of semiconductor solution dried into single-crystal arrays on a 1 cm x 2 cm substrate. TIPS-pentacene was used to demonstrate the fabrication of hundreds of field-effect transistors (FETs) with the hole mobility as high as 6.46 cm(2) V-1 s(-1). As such, this work provides a high-throughput, yet efficient approach for statistical examination on the FET performance of organic single crystals. C1 [Liu, Shuang; Wu, Jia-Ke; Fan, Cong-Cheng; Xue, Guo-Biao; Chen, Hong-Zheng; Li, Han-Ying] Zhejiang Univ, Dept Polymer Sci & Engn, Minist Educ Key Lab Macromol Synth & Funct, State Key Lab Silicon Mat, Hangzhou 310027, Zhejiang, Peoples R China. [Xin, Huolin L.] Brookhaven Natl Lab, Ctr Funct Nanomat, New York, NY 11973 USA. RP Li, HY (reprint author), Zhejiang Univ, Dept Polymer Sci & Engn, Minist Educ Key Lab Macromol Synth & Funct, State Key Lab Silicon Mat, Hangzhou 310027, Zhejiang, Peoples R China. EM hanying_li@zju.edu.cn RI Xin, Huolin/E-2747-2010 OI Xin, Huolin/0000-0002-6521-868X NR 43 TC 5 Z9 5 U1 17 U2 76 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 2095-9273 EI 2095-9281 J9 SCI BULL JI Sci. Bull. PD JUN PY 2015 VL 60 IS 12 BP 1122 EP 1127 DI 10.1007/s11434-015-0817-9 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CK9CO UT WOS:000356538300009 ER PT J AU Perry, DL Ma, ZX Olson, A Topp, E AF Perry, Dale L. Ma, Zhixun Olson, Andrew Topp, Erik TI Molecular Characterization of Gadolinium-Doped Zinc Telluride Films by X-ray Photoelectron Spectroscopy SO SPECTROSCOPY LA English DT Article ID OPTICAL-PROPERTIES; XPS; PHOTOEMISSION; HYDROXIDES; CORROSION; CRYSTAL; OXIDES; GD AB Zinc telluride films doped with gadolinium (ZnTe:Gd)-made by laser ablation and deposition have been characterized by X-ray photoelectron spectroscopy (XPS) to determine the molecular species of the elements in the material and their presence as intentionally formed contaminants. The chemical shifts and the shapes of the zinc, gadolinium, and tellurium photoelectron lines have been studied and compared to those of appropriate model compounds that represent potential contaminants occluded in the final product that forms on the subsequent deposition of the laser-ablated plume derived material. C1 [Perry, Dale L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Chem, Berkeley, CA 94720 USA. [Ma, Zhixun] PPG Ind Inc, Cheswick, PA USA. [Olson, Andrew] ZS Associates, San Mateo, CA USA. [Topp, Erik] Baker Hughes, Concord, CA USA. RP Perry, DL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Chem, Berkeley, CA 94720 USA. EM dlperry@lbl.gov NR 30 TC 2 Z9 2 U1 1 U2 3 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 2015 VL 30 IS 6 BP 38 EP 43 PG 6 WC Spectroscopy SC Spectroscopy GA CK8DK UT WOS:000356468500003 ER PT J AU Mellmer, MA Gallo, JMR Alonso, DM Dumesic, JA AF Mellmer, Max A. Gallo, Jean Marcel R. Alonso, David Martin Dumesic, James A. TI Selective Production of Levulinic Acid from Furfuryl Alcohol in THF Solvent Systems over H-ZSM-5 SO ACS CATALYSIS LA English DT Article DE biomass conversion; heterogeneous catalysis; solvent effects; furfuryl alcohol; levulinic acid; ZSM-5 ID SOLID ACID; LIGNOCELLULOSIC BIOMASS; CONVERSION; ZEOLITES; CATALYSTS AB Furfuryl alcohol in high concentrations (1 M) was hydrolyzed to levulinic acid in high yields (>70%) using H-ZSM-5 zeolite as the catalyst in monophasic tetrahydrofuran (THF)-water solvent systems. Reaction kinetics studies using H-ZSM-5 were carried out, and combined with results obtained for other Bronsted acid catalysts, we suggest that the structural properties of H-ZSM-5, in conjunction with increased reaction performance using the polar aprotic solvent THF, are effective for furfuryl alcohol hydrolysis to levulinic acid while inhibiting furfuryl alcohol polymerization reactions. In addition, on the basis of results obtained for a wide range of THF-H2O solvent systems (19:11:2 w/w), we suggest that the hydrophobic nature of H-ZSM-5 alters the internal solvent microenvironment within the zeolite framework, allowing for high levulinic acid yields, even at low THF solvent concentrations (e.g., 1:2 THF-H2O w/w). C1 [Mellmer, Max A.; Gallo, Jean Marcel R.; Alonso, David Martin; Dumesic, James A.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. [Mellmer, Max A.; Dumesic, James A.] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Mellmer, Max A.; Dumesic, James A.] Univ Fed Sao Carlos, Dept Chem, BR-13565905 Sao Carlos, SP, Brazil. RP Dumesic, JA (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. EM jdumesic@wisc.edu RI Gallo, Jean Marcel/C-9985-2013 OI Gallo, Jean Marcel/0000-0003-2937-2628 FU U.S. Department of Energy, Office of Basic Energy Sciences; DOE Great Lakes Bioenergy Research Center by U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [BER DE-FC02-07ER64494]; Glucan Biorenewables, LLC. FX This work was supported in part by the U.S. Department of Energy, Office of Basic Energy Sciences and by the DOE Great Lakes Bioenergy Research Center (http://www.glbrc.org), which is supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through the Cooperative Agreement BER DE-FC02-07ER64494 between The Board of Regents of the University of Wisconsin System and the U.S. Department of Energy. D.M.A. acknowledges financial support from Glucan Biorenewables, LLC. We acknowledge Jiayao Chen, Claire Johnson, and Nathan Prisco for help with experiments, and we thank Helen Luo and Professor Yuriy Roman-Leshkov for valuable discussions. NR 29 TC 21 Z9 21 U1 10 U2 84 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 2015 VL 5 IS 6 BP 3354 EP 3359 DI 10.1021/acscatal.5b00274 PG 6 WC Chemistry, Physical SC Chemistry GA CK1JT UT WOS:000355964300021 ER PT J AU Matheu, R Francas, L Chernev, P Ertem, MZ Batista, V Haumann, M Sala, X Llobet, A AF Matheu, Roc Francas, Laia Chernev, Petko Ertem, Mehmed Z. Batista, Victor Haumann, Michael Sala, Xavier Llobet, Antoni TI Behavior of the Ru-bda Water Oxidation Catalyst Covalent ly Anchored on Glassy Carbon Electrodes SO ACS CATALYSIS LA English DT Article DE water oxidation catalysis; electrocatalysis; water splitting Ru complexes; modified graphite electrodes; heterogeneous water oxidation catalysis; RuO2 ID VISIBLE-LIGHT; HETEROGENEOUS CATALYSIS; OXYGEN EVOLUTION; HIGHLY EFFICIENT; PHOTOSYSTEM-II; NITRIC-OXIDE; SINGLE-SITE; COMPLEXES; SURFACE; ELECTROCATALYSTS AB Electrochemical reduction of the dizaonium complex, [Ru-II(bda)(NO)(N-N-2)(2)](3+), 2(3+) (N-N-2(2+) is 4-(pyridin-4-yl) benzenediazonium and bda(2-) is [2,2'-bipyridine]-6,6'-dicarboxylate), in acetone produces the covalent grafting of this molecular complex onto glassy carbon (GC) electrodes. Multiple cycling voltammetric experiments on the GC electrode generates hybrid materials labeled as GC-4, with the corresponding Ru-aqua complex anchored on the graphite surface. GC-4 has been characterized at pH = 7.0 by electrochemical techniques and X-ray absorption spectroscopy (XAS) and has been shown to act as an active catalyst for the oxidation of water to dioxygen. This new hybrid material has a lower catalytic performance than its counterpart in homogeneous phase and progressively decomposes to form RuO2 at the electrode surface. Nevertheless the resulting metal oxide attached at the GC electrode surface, GC-RuO2, is a very fast and rugged heterogeneous water oxidation catalyst with TOF(i)s of 300 s(-1) and TONs > 45 000. The observed performance is comparable to the best electrocatalysts reported so far, at neutral pH. C1 [Matheu, Roc; Francas, Laia; Llobet, Antoni] Inst Chem Res Catalonia ICIQ, Tarragona 43007, Spain. [Chernev, Petko; Haumann, Michael] Free Univ Berlin, Inst Expt Phys, D-14195 Berlin, Germany. [Ertem, Mehmed Z.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Batista, Victor] Yale Univ, Dept Chem, New Haven, CT 06520 USA. [Sala, Xavier; Llobet, Antoni] Univ Autonoma Barcelona, Dept Quim, E-08193 Barcelona, Spain. RP Batista, V (reprint author), Yale Univ, Dept Chem, POB 208107, New Haven, CT 06520 USA. EM victor.batista@yale.edu; xavier.sala@uab.cat; allobet@iciq.es RI Haumann, MIchael, Dr./A-7087-2013; Sala, Xavier/N-7363-2013; Llobet, Antoni/C-3296-2016; OI Sala, Xavier/0000-0002-7779-6313; Llobet, Antoni/0000-0002-6176-5272; Matheu, Roc/0000-0001-8601-5219; Francas Forcada, Laia/0000-0001-9171-6247 FU MINECO [CTQ-2013-49075-R, SEV-2013-0319, CTQ2011-26440]; "La Caixa" foundation; Deutsche Forschungsgemeinschaft [Ha3265/6-1]; German Bundesministerium fur Bildung und Forschung within the Rontgen-Angstrom Cluster [05K14KE1]; Computational Materials and Chemical Sciences project at Brookhaven National Laboratory [DE-AC02-98CH10886]; U.S. DOE; Argonne-Northwestern Solar Energy Research (ANSER) Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001059] FX A.L. thanks MINECO (CTQ-2013-49075-R, SEV-2013-0319) and "La Caixa" foundation for financial support. R.M. thanks "La Caixa" foundation for a PhD grant. M.H. thanks the Deutsche Forschungsgemeinschaft for financial support (grant Ha3265/6-1) and for a Heisenberg Fellowship and the German Bundesministerium fur Bildung und Forschung for funding within the Rontgen-Angstrom Cluster (grant 05K14KE1). We thank S. Reschke and M. Gorlin for help in XAS data collection and M. Nachtegaal at SuperXAS of SLS for excellent technical support. M.Z.E. was funded by a Computational Materials and Chemical Sciences project at Brookhaven National Laboratory under contract DE-AC02-98CH10886 with the U.S. DOE. V.B. acknowledges supercomputer time from NERSC and financial support as part of the Argonne-Northwestern Solar Energy Research (ANSER) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001059. X.S. thanks MINECO (CTQ2011-26440) for financial support. NR 57 TC 14 Z9 14 U1 8 U2 43 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 2015 VL 5 IS 6 BP 3422 EP 3429 DI 10.1021/acscatal.5b00132 PG 8 WC Chemistry, Physical SC Chemistry GA CK1JT UT WOS:000355964300030 ER PT J AU Hu, B Schweitzer, NM Zhang, GH Kraft, SJ Childers, DJ Lanci, MP Miller, JT Hock, AS AF Hu, Bo Schweitzer, Neil M. Zhang, Guanghui Kraft, Steven J. Childers, David J. Lanci, Michael P. Miller, Jeffrey T. Hock, Adam S. TI Isolated Fe-II on Silica As a Selective Propane Dehydrogenation Catalyst SO ACS CATALYSIS LA English DT Article DE isolated Fe catalysts; propane dehydrogenation; Fe nanoparticles on silica; dehydrogenation catalyst; Fe XANES; EXAFS ID CHROMIUM-OXIDE CATALYSTS; H BOND ACTIVATION; X-RAY-ABSORPTION; SINGLE-SITE; HETEROGENEOUS CATALYSIS; SUPPORTED CATALYSTS; CARBON-DIOXIDE; GALLIUM OXIDE; IRON-OXIDES; COMPLEXES AB We report a comparative study of isolated Fe-II, iron oxide particles, and metallic nanoparticles on silica for non-oxidative propane dehydrogenation. It was found that the most selective catalyst was an isolated Fe-II species on silica prepared by grafting the open cyclopentadienide iron complex, bis(2,4-dimethyl-1,3-pentadienide) iron(II) or Fe(oCp)(2). The grafting and evolution of the surface species was elucidated by H-1 NMR, diffuse reflectance infrared Fourier transform spectroscopy and X-ray absorption spectroscopies. The oxidation state and local structure of surface Fe were characterized by X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure. The initial grafting of iron proceeds by one surface hydroxyl SiOH reacting with Fe(oCp)(2) to release one diene ligand (oCpH), generating a SiO2-bound Fe-II(oCp) species, 1-FeoCp. Subsequent treatment with H-2 at 400 degrees C leads to loss of the remaining diene ligand and formation of nanosized iron oxide clusters, 1-C. Dispersion of these Fe oxide clusters occurs at 650 degrees C, forming an isolated, ligand-free Fe-II on silica, 1-Fe-II, which is catalytically active and highly selective (similar to 99%) for propane dehydrogenation to propene. Under reaction conditions, there is no evidence of metallic Fe by in situ XANES. For comparison, metallic Fe nanoparticles, 2-NP-Fe-0, were independently prepared by grafting Fe[N(SiMe3)(2)](2) onto silica, 2-FeN*, and reducing it at 650 degrees C in H-2. The Fe NPs were highly active for propane conversion but showed poor selectivity (similar to 14%) to propene. Independently prepared Fe oxide clusters on silica display a low activity. The sum of these results suggests that selective propane dehydrogenation occurs at isolated Fe-II sites. C1 [Hu, Bo; Hock, Adam S.] IIT, Dept Chem, Chicago, IL 60616 USA. [Schweitzer, Neil M.; Zhang, Guanghui; Kraft, Steven J.; Lanci, Michael P.; Miller, Jeffrey T.; Hock, Adam S.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Zhang, Guanghui] Wuhan Univ, Coll Chem & Mol Sci, Wuhan 430072, Peoples R China. [Childers, David J.] Univ Illinois, Dept Chem Engn, Chicago, IL 60607 USA. RP Miller, JT (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM millerjt@anl.gov; ahock@iit.edu RI Zhang, Guanghui/C-4747-2008; ID, MRCAT/G-7586-2011; BM, MRCAT/G-7576-2011; Hock, Adam/D-7660-2012 OI Zhang, Guanghui/0000-0002-5854-6909; Hock, Adam/0000-0003-1440-1473 FU U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences [DE-AC-02-06CH11357]; Illinois Institute of Technology; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy; MRCAT member institutions FX The work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences under Contract DE-AC-02-06CH11357. B.H. and A.S.H. would like to thank the Illinois Institute of Technology for a Starr-Fieldhouse Fellowship (BH) and 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-AC02-06CH11357. Materials Research Collaborative Access Team (MRCAT, Sectors 10-BM and 10-ID) operations are supported by the Department of Energy and the MRCAT member institutions. NR 70 TC 11 Z9 11 U1 20 U2 106 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 2015 VL 5 IS 6 BP 3494 EP 3503 DI 10.1021/acscatal.5b00248 PG 10 WC Chemistry, Physical SC Chemistry GA CK1JT UT WOS:000355964300037 ER PT J AU Bayram, E Lu, J Aydin, C Browning, ND Ozkar, S Finney, E Gates, BC Finke, RG AF Bayram, Ercan Lu, Jing Aydin, Ceren Browning, Nigel D. Ozkar, Saim Finney, Eric Gates, Bruce C. Finke, Richard G. TI Agglomerative Sintering of an Atomically Dispersed Ir-1/Zeolite Y Catalyst: Compelling Evidence Against Ostwald Ripening but for Bimolecular and Autocatalytic Agglomeration Catalyst Sintering Steps SO ACS CATALYSIS LA English DT Article DE catalyst; sintering; agglomeration; kinetics; Ostwald ripening; nanoparticle; cluster; mononuclear ID METAL NANOCLUSTER FORMATION; TRANSMISSION ELECTRON-MICROSCOPY; PARTICLE-SIZE DISTRIBUTIONS; SINGLE-ATOM CATALYSTS; IN-SITU TRANSMISSION; IRIDIUM CLUSTERS; CHEMICAL OSCILLATORS; HYDROGEN ACTIVATION; SUPPORTED METALS; INNER SURFACES AB Agglomerative sintering of an atomically dispersed, zeolite Y-supported catalyst, Ir-1/zeolite Y, formed initially from the well-characterized precatalyst [Ir(C2H4)(2)]/zeolite Y and in the presence of liquid-phase reactants, was monitored over three cycles of 3800 turnovers (TTOs) of cyclohexene hydrogenation at 72 degrees C. The catalyst evolved and sintered during each cycle, even at the relatively mild temperature of 72 degrees C in the presence of the cyclohexene plus H-2 reactants and cyclohexane solvent. Post each of the three cycles of catalysis, the resultant sintered catalyst was characterized by extended X-ray absorption fine structure spectroscopy and atomic-resolution high-angle annular dark-field scanning transmission electron microscopy. The results show that higher-nuclearity iridium species, Ir-n, are formed during each successive cycle. The progression from the starting mononuclear precursor, Ir-1, is first to Ir-similar to 46; then, on average, Ir-similar to 40; and finally, on average, Ir-similar to 70, the latter more accurately described as a bimodal dispersion of on-average Ir similar to 40-50 and on-average Ir-similar to 1600 nanoparticles. The size distribution and other data disprove Ostwald ripening during the initial and final stages of the observed catalyst sintering. Instead, the diameter-dispersion data plus quantitative fits to the cluster or nanoparticle diameter vs time data provide compelling evidence for the underlying, pseudoelementary steps of bimolecular agglomeration, B + B -> C, and autocatalytic agglomeration, B + C -> 1.5C, where B represents the smaller, formally Ir(0) nanoparticles, and C is the larger (more highly agglomerated) nanoparticles (and where the 1.5 coefficient in the autocatalytic agglomeration of B + C necessarily follows from the definition, in the bimolecular agglomeration step, that 1C contains the Ir from 2B). These two specific, balanced chemical reactions are of considerable significance in going beyond the present state-of-the-art, but word-only, mechanismthat is, actually and instead, just a collection of phenomenafor catalyst sintering of Particle Migration and Coalescence. The steps of bimolecular plus autocatalytic agglomeration provide two specific, balanced chemical equations useful for fitting sintering kinetics data, as is done herein, thereby quantitatively testing proposed sintering mechanisms. These two pseudoelementary reactions also define the specific words and concepts for sintering of bimolecular agglomeration and autocatalytic agglomeration. The results are also significant as the first quantitative investigation of the agglomeration and sintering of an initially atomically dispersed metal on a structurally well-defined (zeolite) support and in the presence of liquid reactants (cyclohexene substrate and cyclohexane solvent) plus H-2. A list of additional specific conclusions is provided in a summary section. C1 [Bayram, Ercan; Finney, Eric; Finke, Richard G.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. [Lu, Jing; Aydin, Ceren; Browning, Nigel D.; Gates, Bruce C.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Browning, Nigel D.] Pacific NW Natl Lab, Fundamental & Computat Sci, Richland, WA 99352 USA. [Ozkar, Saim] Middle E Tech Univ, Dept Chem, TR-06800 Ankara, Turkey. RP Gates, BC (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, 1 Shields Ave, Davis, CA 95616 USA. EM bcgates@ucdavis.edu; rfinke@lamar.colostate.edu FU Department of Energy (DOE), Basic Energy Sciences [DE-FG02-03ER15453, DE-SC005822, DE-FG02-03ER46057] FX The research at Colorado State University and the University of California was supported by the Department of Energy (DOE), Basic Energy Sciences Grants DE-FG02-03ER15453 (at CSU), DE-SC005822 (JL), and DE-FG02-03ER46057 (CA) (at UCD). We thank the DOE Division of Materials Sciences for its role in the operation and development of beamline 4-1 at the Stanford Synchrotron Radiation Lightsource and beamline X-18B at the National Synchrotron Lightsource. We thank the beamline staffs for valuable support. NR 92 TC 6 Z9 7 U1 23 U2 74 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 2015 VL 5 IS 6 BP 3514 EP 3527 DI 10.1021/acscatal.5b00321 PG 14 WC Chemistry, Physical SC Chemistry GA CK1JT UT WOS:000355964300039 ER PT J AU Epshteyn, A Garsany, Y More, KL Meyer, HM Jain, V Purdy, AP Swider-Lyons, KE AF Epshteyn, Albert Garsany, Yannick More, Karren L. Meyer, Harry M., III Jain, Vaibhav Purdy, Andrew P. Swider-Lyons, Karen E. TI Effective Strategy for Improving Electrocatalyst Durability by Adhesive Immobilization of Catalyst Nanoparticles on Graphitic Carbon Supports SO ACS CATALYSIS LA English DT Article DE tantalum polyphosphate; nanoglue; anchoring; ORR; durability; nanoparticle ripening ID TRANSMISSION ELECTRON-MICROSCOPY; FUEL-CELL CATALYSTS; OXYGEN REDUCTION; ANCHORING SEMICONDUCTOR; TANTALUM OXYPHOSPHATE; METAL NANOPARTICLES; ACID-SOLUTION; PLATINUM; DEGRADATION; PT/C AB We have found that Ta-based additive films in our catalyst system act as adhesives, which improves electrocatalyst durability by immobilizing the catalyst Pt NPs on the graphitic Vulcan carbon support. Furthermore, we suggest that this can be a general design principle in producing higher-durability electrocatalysts on graphitic supports. By electrochemically probing the contributing roles of the tantalum oxide (Ta2O5) and the polyphosphate (PPA) components in separate samples, we show that these combine to produce the observed improvement in activity and durability of our best catalyst, the tantalum polyphosphate (TaOPO4)-treated sample. To control variables for a valid electrochemical comparison, such as dissimilar catalyst particle size distributions and variations in surface coverage, four new catalyst samples closely matched in every way were prepared: (1) Pt/VC, (2) Pt[PPA/VC], (3) Pt/[Ta2O5/VC], and (4) Pt[TaOPO4/VC]. We present HR-TEM/HAADF-STEM, EDS elemental mapping, PXRD, XPS, and electrochemical activity and durability evidence, showing that the TaOPO4 and Ta2O5 additives act as adhesives, effectively tethering the NPs to the VC graphitic support surface. Pt/[Ta2O5/VC] exhibited 3X better durability as compared with the Pt/VC control because of better catalyst nanoparticle immobilization by the Ta2O5 adhesive. Pt[TaOPO4/VC] is the overall best performer, exhibiting both a high MA of 0.82 A mg(pt)(-1), the highest ORR MA after heat treatment, as well as 1.75X greater durability over the Pt/VC control. C1 [Epshteyn, Albert; Jain, Vaibhav; Purdy, Andrew P.; Swider-Lyons, Karen E.] Naval Res Lab, Washington, DC 20375 USA. [Garsany, Yannick] EXCET INC, Springfield, VA 22151 USA. [More, Karren L.; Meyer, Harry M., III] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Epshteyn, A (reprint author), Naval Res Lab, Div Chem, 4555 Overlook Ave, Washington, DC 20375 USA. EM albert.epshteyn@nrl.navy.mil RI More, Karren/A-8097-2016 OI More, Karren/0000-0001-5223-9097 FU Office of Naval Research FX The authors thank the Office of Naval Research for financial support. The authors thank Dr. Stephen Campbell (AFCC) and Dr. Jeremy J. Pietron (NRL) for technical discussions. Some of the TEM/STEM EDS elemental mapping and XPS analysis was conducted at ORNL's Center for Nanophase Materials Sciences, which is a U.S. Department of Energy, Office of Science User Facility. NR 40 TC 1 Z9 1 U1 13 U2 57 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 2015 VL 5 IS 6 BP 3662 EP 3674 DI 10.1021/cs501791z PG 13 WC Chemistry, Physical SC Chemistry GA CK1JT UT WOS:000355964300053 ER PT J AU Lohr, TL Li, Z Assary, RS Curtiss, LA Marks, TJ AF Lohr, Tracy L. Li, Zhi Assary, Rajeev S. Curtiss, Larry A. Marks, Tobin J. TI Thermodynamically Leveraged Tandem Catalysis for Ester RC(O)O-R ' Bond Hydrogenolysis. Scope and Mechanism SO ACS CATALYSIS LA English DT Article DE C-O cleavage; biomass; tandem catalysis; thermodynamic leveraging; metal triflates; hydrogenolysis ID BIO-HYDROGENATED DIESEL; CRUDE GLYCEROL; MICROALGAE OIL; ORGANIC-SYNTHESIS; REACTION PATHWAYS; VEGETABLE-OILS; RANGE ALKANES; FATTY-ACIDS; PALM OIL; DEOXYGENATION AB Rapid and selective formal hydrogenolysis of aliphatic ester RC(O)O-R' linkages is achieved by a tandem homogeneous metal triflate + supported palladium catalytic system. The triflate catalyzes the mildly exothermic, turnover-limiting O-R' cleavage process, whereas the exothermic hydrogenation of the intermediate alkene further drives the overall reaction to completion. C1 [Lohr, Tracy L.; Li, Zhi; Marks, Tobin J.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Assary, Rajeev S.; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Marks, TJ (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM t-marks@northwestem.edu RI Surendran Assary, Rajeev/E-6833-2012; Li, Zhi/D-8662-2011 OI Surendran Assary, Rajeev/0000-0002-9571-3307; Li, Zhi/0000-0003-2770-6364 FU U.S. Department of Energy [DE-AC0206CH11357]; NSF [CHE-1213235]; U.S. Department of Energy, Office of Sciences, and Office of Basic Energy Sciences; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-AC02-06CH11357]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy under contract DE-AC0206CH11357. NSF grant CHE-1213235 on basic f-element chemistry supported T.L.L. and provided reactor equipment. This material is based upon work supported as part of the Institute of Atom-Efficient Chemical Transformation (IACT), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Sciences, and Office of Basic Energy Sciences, which supported Z.L., RSA, and LAC. The Pd/TiO2 catalyst was provided by Mr. M. S. Liu. We gratefully acknowledge the computing resources provided on "Blues", a computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. This research used resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 45 TC 5 Z9 5 U1 8 U2 48 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 2015 VL 5 IS 6 BP 3675 EP 3679 DI 10.1021/acscatal.5b00950 PG 5 WC Chemistry, Physical SC Chemistry GA CK1JT UT WOS:000355964300054 ER PT J AU Duan, H Li, MH Zhang, GH Gallagher, JR Huang, ZL Sun, Y Luo, Z Chen, HZ Miller, JT Zou, RQ Lei, AW Zhao, YL AF Duan, Hui Li, Menghuan Zhang, Guanghui Gallagher, James R. Huang, Zhiliang Sun, Yu Luo, Zhong Chen, Hongzhong Miller, Jeffrey T. Zou, Ruqiang Lei, Aiwen Zhao, Yanli TI Single-Site Palladium(II) Catalyst for Oxidative Heck Reaction: Catalytic Performance and Kinetic Investigations SO ACS CATALYSIS LA English DT Article DE C-H olefination; cross-coupling reactions; oxidative Heck reaction; periodic mesoporous organosilica; single-site Pd(II) catalyst ID CROSS-COUPLING REACTIONS; METAL-ORGANIC FRAMEWORK; PERIODIC MESOPOROUS ORGANOSILICA; H BOND FUNCTIONALIZATION; AEROBIC DEHYDROGENATION; HETEROGENEOUS CATALYSTS; SILICA MATERIALS; NANOPARTICLES; LIGAND; ACTIVATION AB The development of organometallic single-site catalysts (SSCs) has inspired the designs of new heterogeneous catalysts with high efficiency. Nevertheless, the application of SSCs in certain modem organic reactions, such as C-C bond formation reactions, has still been less investigated. In this study, a single-site Pd(II) catalyst was developed, where 2,2'-bipyridine-grafted periodic mesoporous organosilica (PMO) was employed as the support of a Pd(II) complex. The overall performance of the single-site Pd(II) catalyst in the oxidative Heck reaction was then investigated. The investigation results show that the catalyst displays over 99% selectivity for the product formation with high reaction yield. Kinetic profiles further confirm its high catalytic efficiency, showing that the rate constant is nearly 40 times higher than that for the free Pd(II) salt. X-ray absorption spectroscopy reveals that the catalyst has remarkable lifetime and recyclability. C1 [Duan, Hui; Li, Menghuan; Luo, Zhong; Chen, Hongzhong; Zhao, Yanli] Nanyang Technol Univ, Div Chem & Biol Chem, Sch Phys & Math Sci, Singapore 637371, Singapore. [Zhang, Guanghui; Huang, Zhiliang; Sun, Yu; Lei, Aiwen] Wuhan Univ, Coll Chem & Mol Sci, Wuhan 430072, Hubei, Peoples R China. [Zhang, Guanghui; Gallagher, James R.; Huang, Zhiliang; Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Zou, Ruqiang] Peking Univ, Dept Mat Sci & Engn, Coll Engn, Beijing 100871, Peoples R China. [Zhao, Yanli] Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore. RP Lei, AW (reprint author), Wuhan Univ, Coll Chem & Mol Sci, Wuhan 430072, Hubei, Peoples R China. EM aiwenlei@whu.edu.cn; zhaoyanli@ntu.edu.sg RI Zhang, Guanghui/C-4747-2008; ID, MRCAT/G-7586-2011; Gallagher, James/E-4896-2014; Zhao, Yanli/B-7028-2011; OI Zhang, Guanghui/0000-0002-5854-6909; Gallagher, James/0000-0002-5628-5178; Zhao, Yanli/0000-0002-9231-8360; Zou, Ruqiang/0000-0003-0456-4615; Lei, Aiwen/0000-0001-8417-3061 FU National Research Foundation (NRF); Prime Minister's Office, Singapore, under its NRF Fellowship [NRF2009NRF-RF001-015]; Campus for Research Excellence and Technological Enterprise (CREATE) Programme Singapore Peking University Research Centre for a Sustainable Low-Carbon Future; NTU-A*Star Silicon Technologies Centre of Excellence [112 351 0003]; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-AC02-06CH11357]; U.S. Department of Energy; MRCAT FX This research was supported by the National Research Foundation (NRF), Prime Minister's Office, Singapore, under its NRF Fellowship (NRF2009NRF-RF001-015), and Campus for Research Excellence and Technological Enterprise (CREATE) Programme Singapore Peking University Research Centre for a Sustainable Low-Carbon Future, as well as the NTU-A*Star Silicon Technologies Centre of Excellence under grant No. 112 351 0003. The use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences under contract No. DE-AC02-06CH11357. MRCAT operations were supported by the U.S. Department of Energy and the MRCAT member institutions. NR 74 TC 6 Z9 6 U1 22 U2 133 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 2015 VL 5 IS 6 BP 3752 EP 3759 DI 10.1021/acscatal.5b00569 PG 8 WC Chemistry, Physical SC Chemistry GA CK1JT UT WOS:000355964300063 ER PT J AU Bayram, E Linehan, JC Fulton, JL Szymczak, NK Finke, RG AF Bayram, Ercan Linehan, John C. Fulton, John L. Szymczak, Nathaniel K. Finke, Richard G. TI Determination of the Dominant Catalyst Derived from the Classic [RhCp*Cl-2](2) Precatalyst System: Is it Single-Metal Rh1Cp*-Based, Subnanometer Rh-4 Cluster-Based, or Rh(0)(n) Nanoparticle-Based Cyclohexene Hydrogenation Catalysis at Room Temperature and Mild Pressures? SO ACS CATALYSIS LA English DT Article DE catalysis; determination of the dominant catalyst; catalyst poisoning studies; rhodium; organometallic complex catalysis; subnanometer cluster catalysis; nanoparticle catalysis; XAFS; in operando spectroscopic studies ID WATER OXIDATION CATALYSIS; HETEROGENEOUS CATALYSIS; NANOCLUSTER FORMATION; NEAR-MONODISPERSE; OPERANDO XAFS; MECHANISM; STOICHIOMETRY; NUCLEATION; COMPLEXES; DISCOVERY AB Determining the kinetically dominant catalyst in a given catalytic system is a forefront topic in catalysis. The [RhCp*Cl-2](2) (Cp* = [eta(5)-C-5(CH3)(5)]) system pioneered by Maitlis and co-workers is a classic precatalyst system from which homogeneous mononuclear Rh-1, subnanometer Rh-4 cluster, and heterogeneous polymetallic Rh(0)(n) nanoparticle have all arisen as viable candidates for the true hydrogenation catalyst, depending on the precise substrate, H-2 pressure, temperature, and catalyst concentration conditions. Addressed herein is the question of whether the prior assignment of homogeneous, mononuclear Rh1Cp*-based catalysis is correct, or are trace Rh-4 subnanometer clusters or possibly Rh(0)(n) nanoparticles the dominant, actual cyclohexene hydrogenation catalyst at 22 degrees C and 2.7 atm initial H-2 pressure? The observation herein of Rh-4 species by in operando-X-ray absorption fine structure (XAFS) spectroscopy, at the only slightly more vigorous conditions of 26 degrees C and 8.3 atm H-2 pressure, and the confirmation of Rh., dusters by ex situ mass spectroscopy raises the question of the dominant, room temperature, and mild pressure cydohexene hydrogenation catalyst derived from the classic [RhCp*Cl-2](2) precatalyst pioneered by Maitlis and co-workers. Ten lines of evidence are provided herein to address the nature of the true room temperature and mild pressure cyclohexene hydrogenation catalyst derived from [RhCp*Cl-2](2). Especially significant among those experiments are quantitative catalyst, poisoning experiments, in the present case using 1,10-phenanthroline. Those poisoning studies allow one to distinguish mononuclear Rh-1, subnanometer Rh, duster, and Rh(0)(n) nanoparticle catalysis hypotheses. The evidence obtained provides a compelling case for a mononuclear, Rh1Cp*-based cyclohezene hydrogenation catalyst at 22 degrees C and 2.7 atm H-2 pressure. The resultant methodology, especially the quantitative catalyst poisoning experiments in combination with in operando spectroscopy, is expected to be more broadly applicable to the study of other systems and the "what is the true catalyst?" question. C1 [Bayram, Ercan; Finke, Richard G.] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA. [Linehan, John C.; Fulton, John L.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Szymczak, Nathaniel K.] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA. RP Linehan, JC (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM john.linehan@pnnl.gov; rfinke@lamar.colostate.edu FU Colorado State University by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences, vial DOE [SE-FG402-03ER15453]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences; U.S. Department of Energy, Basic Energy Sciences; NSERC; University of Washington; Canadian Light Source; Advanced Photon Source; U.S. DOE [DE-AC02-06CH11357] FX The authors would like to thank Finke Group members and Prof. Saim Ozkar for their valuable input as this work was proceeding. This work was supported at Colorado State University by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences, vial DOE Grant SE-FG402-03ER15453. The work at PNNL was also supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for the DOE by Battelle. XSD/PNC facilities at the Advanced Photon Source and research at these facilities are supported by the U.S. Department of Energy, Basic Energy Sciences; a Major Resources Support Grant from NSERC; the University of Washington; the Canadian Light Source; and the Advanced Photon Source. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Argonne National Laboratory was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 35 TC 1 Z9 1 U1 4 U2 34 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 2015 VL 5 IS 6 BP 3876 EP 3886 DI 10.1021/acscatal.5b00315 PG 11 WC Chemistry, Physical SC Chemistry GA CK1JT UT WOS:000355964300076 ER PT J AU Bachega, JFR Maluf, FV Andi, B Pereira, HD Carazzollea, MF Orville, AM Tabak, M Brandao-Neto, J Garratt, RC Reboredo, EH AF Ruggiero Bachega, Jose Fernando Maluf, Fernando Vasconcelos Andi, Babak Pereira, Humberto D'Muniz Carazzollea, Marcelo Falsarella Orville, Allen M. Tabak, Marcel Brandao-Neto, Jose Garratt, Richard Charles Reboredo, Eduardo Horjales TI The structure of the giant haemoglobin from Glossoscolex paulistus SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY LA English DT Article DE erythrocruorins; Glossoscolex paulistus; giant extracellular haemoglobin; hexagonal bilayer ID MALDI-TOF-MS; EXTRACELLULAR HEMOGLOBIN; LUMBRICUS-TERRESTRIS; 3-DIMENSIONAL RECONSTRUCTION; CRYSTAL-STRUCTURE; CRYOELECTRON MICROSCOPY; OLIGOMERIC STABILITY; BLOOD SUBSTITUTE; NEW-GENERATION; COILED COILS AB The sequences of all seven polypeptide chains from the giant haemoglobin of the free-living earthworm Glossoscolex paulistus (HbGp) are reported together with the three-dimensional structure of the 3.6 MDa complex which they form. The refinement of the full particle, which has been solved at 3.2 angstrom resolution, the highest resolution reported to date for a hexagonal bilayer haemoglobin composed of 12 protomers, is reported. This has allowed a more detailed description of the contacts between subunits which are essential for particle stability. Interpretation of features in the electron-density maps suggests the presence of metal-binding sites (probably Zn2+ and Ca2+) and glycosylation sites, some of which have not been reported previously. The former appear to be important for the integrity of the particle. The crystal structure of the isolated d chain (d-HbGp) at 2.1 angstrom resolution shows different interchain contacts between d monomers compared with those observed in the full particle. Instead of forming trimers, as seen in the complex, the isolated d chains associate to form dimers across a crystallographic twofold axis. These observations eliminate the possibility that trimers form spontaneously in solution as intermediates during the formation of the dodecameric globin cap and contribute to understanding of the possible ways in which the particle self-assembles. C1 [Ruggiero Bachega, Jose Fernando; Maluf, Fernando Vasconcelos; Pereira, Humberto D'Muniz; Garratt, Richard Charles; Reboredo, Eduardo Horjales] Univ Sao Paulo, Inst Fis Sao Carlos, BR-13560 Sao Carlos, Brazil. [Andi, Babak; Orville, Allen M.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Carazzollea, Marcelo Falsarella] Univ Estadual Campinas, Inst Biol, Dept Genet Evolucao & Bioagentes, Lab Gen & Expressao, Campinas, Brazil. [Carazzollea, Marcelo Falsarella] Univ Estadual Campinas, Ctr Nacl Processamento Alto Desempenho, Campinas, Brazil. [Orville, Allen M.] Brookhaven Natl Lab, Biosci Dept, Upton, NY 11973 USA. [Tabak, Marcel] Univ Sao Paulo, Inst Quim Sao Carlos, BR-13560 Sao Carlos, Brazil. [Brandao-Neto, Jose] Diamond Light Source, Harwell, Berks, England. RP Reboredo, EH (reprint author), Univ Sao Paulo, Inst Fis Sao Carlos, BR-13560 Sao Carlos, Brazil. EM horjales@ifsc.usp.br RI garratt, richard/F-6921-2011; Pereira, Humberto/J-7824-2016; Sao Carlos Institute of Physics, IFSC/USP/M-2664-2016; Carazzolle, Marcelo Falsarella/C-6503-2012 OI Pereira, Humberto/0000-0002-8652-6729; FU CNPq; FAPESP FX We gratefully acknowledge a CNPq fellowship awarded to JFRB. We are also grateful to Sandra Martha Gomes Dias of the National Laboratory of Biosciences (LNBio) for useful discussions concerning nucleic acid sequencing. We acknowledge Dr Maria Ines Basso Bernardi (IFSC/USP) for the determination of heavy atoms in the sample using inductively coupled plasma atomic emission analysis and Dr Annie Heroux for her contributions during diffraction data collection at NSLS beamline X25C. This work was financed by FAPESP and CNPq NR 47 TC 6 Z9 6 U1 5 U2 13 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2059-7983 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Struct. Biol. PD JUN PY 2015 VL 71 BP 1257 EP 1271 DI 10.1107/S1399004715005453 PN 6 PG 15 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CK1RX UT WOS:000355986000004 ER PT J AU Ginn, HM Brewster, AS Hattne, J Evans, G Wagner, A Grimes, JM Sauter, NK Sutton, G Stuart, DI AF Ginn, Helen Mary Brewster, Aaron S. Hattne, Johan Evans, Gwyndaf Wagner, Armin Grimes, Jonathan M. Sauter, Nicholas K. Sutton, Geoff Stuart, David Ian TI A revised partiality model and post-refinement algorithm for X-ray free-electron laser data SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY LA English DT Article DE post-refinement; free-electron laser; partiality ID SERIAL FEMTOSECOND CRYSTALLOGRAPHY; PROTEIN; DIFFRACTION; SPECTROSCOPY; SNAPSHOTS; CRYSTALS AB Research towards using X-ray free-electron laser (XFEL) data to solve structures using experimental phasing methods such as sulfur single-wavelength anomalous dispersion (SAD) has been hampered by shortcomings in the diffraction models for X-ray diffraction from FELs. Owing to errors in the orientation matrix and overly simple partiality models, researchers have required large numbers of images to converge to reliable estimates for the structure-factor amplitudes, which may not be feasible for all biological systems. Here, data for cytoplasmic polyhedrosis virus type 17 (CPV17) collected at 1.3 angstrom wavelength at the Linac Coherent Light Source (LCLS) are revisited. A previously published definition of a partiality model for reflections illuminated by self-amplified spontaneous emission (SASE) pulses is built upon, which defines a fraction between 0 and 1 based on the intersection of a reflection with a spread of Ewald spheres modelled by a super-Gaussian wavelength distribution in the X-ray beam. A method of post-refinement to refine the parameters of this model is suggested. This has generated a merged data set with an overall discrepancy (by calculating the Rsplit value) of 3.15% to 1.46 angstrom resolution from a 7225-image data set. The atomic numbers of C, N and O atoms in the structure are distinguishable in the electron-density map. There are 13 S atoms within the 237 residues of CPV17, excluding the initial disordered methionine. These only possess 0.42 anomalous scattering electrons each at 1.3 angstrom wavelength, but the 12 that have single predominant positions are easily detectable in the anomalous difference Fourier map. It is hoped that these improvements will lead towards XFEL experimental phase determination and structure determination by sulfur SAD and will generally increase the utility of the method for difficult cases. C1 [Ginn, Helen Mary; Grimes, Jonathan M.; Sutton, Geoff; Stuart, David Ian] Wellcome Trust Ctr Human Genet, Div Struct Biol, Oxford OX3 7BN, England. [Brewster, Aaron S.; Hattne, Johan; Sauter, Nicholas K.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Evans, Gwyndaf; Wagner, Armin; Grimes, Jonathan M.; Stuart, David Ian] Harwell Sci & Innovat Campus, Diamond House, Didcot OX11 0QX, Oxon, England. RP Stuart, DI (reprint author), Wellcome Trust Ctr Human Genet, Div Struct Biol, Roosevelt Dr, Oxford OX3 7BN, England. EM dave@strubi.ox.ac.uk RI Sauter, Nicholas/K-3430-2012; OI Wagner, Armin/0000-0001-8995-7324; Evans, Gwyndaf/0000-0002-6079-2201 FU Medical Research Council [G1000099]; Wellcome Trust [075491/04, 090532/Z/09/Z]; US National Institutes of Health [GM095887, GM102520] FX DIS was supported by the Medical Research Council, grant G1000099. HMG was supported by the Wellcome Trust (studentship 075491/04). ASB, JH and NKS were supported by US National Institutes of Health grants GM095887 and GM102520. 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 US Department of Energy Office of Science by Stanford University. We are very grateful for the expert support for the operation of the sample injector provided by the group of Ilme Schlichting (Max Planck Institute for Medical Research, Heidelberg, Germany), in particular Sabine Botha, R. Bruce Doak and Robert L. Shoeman. We are very grateful to the LCLS-CXI staff, Marc Messerschmidt, Sebastien Boutet, Garth Williams and Dan Deponte. Admin support was received from the Wellcome Trust, grant 090532/Z/09/Z. This is a contribution from the Oxford Instruct Centre. Code is available on request, and will be folded into cctbx.xfel and DIALS. NR 27 TC 12 Z9 13 U1 3 U2 11 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2059-7983 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Struct. Biol. PD JUN PY 2015 VL 71 BP 1400 EP 1410 DI 10.1107/S1399004715006902 PN 6 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CK1RX UT WOS:000355986000018 PM 26057680 ER PT J AU Tan, K Johnson, PM Stols, L Boubion, B Eschenfeldt, W Babnigg, G Hayes, CS Joachimiak, A Goulding, CW AF Tan, Kemin Johnson, Parker M. Stols, Lucy Boubion, Bryan Eschenfeldt, William Babnigg, Gyorgy Hayes, Christopher S. Joachimiak, Andrezj Goulding, Celia W. TI The structure of a contact-dependent growth-inhibition (CDI) immunity protein from Neisseria meningitidis MC58 SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article DE contact-dependent growth inhibition; CdiA-CT toxin domain; CdiI immunity protein; toxin-immunity protein complex; Neisseria meningitidis; docking studies ID TOXIN DELIVERY-SYSTEMS; CRYSTAL-STRUCTURES; XENDOU; MODEL; REPLICATION; GRAPHICS; BACTERIA; VECTORS; DOCKING; COMPLEX AB Contact-dependent growth inhibition (CDI) is an important mechanism of intercellular competition between neighboring Gram-negative bacteria. CDI systems encode large surface-exposed CdiA effector proteins that carry a variety of C-terminal toxin domains (CdiA-CTs). All CDI+ bacteria also produce CdiI immunity proteins that specifically bind to the cognate CdiA-CT and neutralize its toxin activity to prevent auto-inhibition. Here, the X-ray crystal structure of a CdiI immunity protein from Neisseria meningitidis MC58 is presented at 1.45 angstrom resolution. The CdiI protein has structural homology to the Whirly family of RNA-binding proteins, but appears to lack the characteristic nucleic acid-binding motif of this family. Sequence homology suggests that the cognate CdiA-CT is related to the eukaryotic EndoU family of RNA-processing enzymes. A homology model is presented of the CdiA-CT based on the structure of the XendoU nuclease from Xenopus laevis. Molecular-docking simulations predict that the CdiA-CT toxin active site is occluded upon binding to the CdiI immunity protein. Together, these observations suggest that the immunity protein neutralizes toxin activity by preventing access to RNA substrates. C1 [Tan, Kemin; Stols, Lucy; Eschenfeldt, William; Babnigg, Gyorgy; Joachimiak, Andrezj] Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. [Tan, Kemin; Joachimiak, Andrezj] Argonne Natl Lab, Struct Biol Ctr, Biosci, Argonne, IL 60439 USA. [Johnson, Parker M.; Boubion, Bryan; Goulding, Celia W.] Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. [Hayes, Christopher S.] Univ Calif Santa Barbara, Dept Mol Cellular & Dev Biol, Santa Barbara, CA 93106 USA. [Hayes, Christopher S.] Univ Calif Santa Barbara, Biomol Sci & Engn Program, Santa Barbara, CA 93106 USA. [Goulding, Celia W.] Univ Calif Irvine, Dept Pharmaceut Sci, Irvine, CA 92697 USA. RP Goulding, CW (reprint author), Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. EM celia.goulding@uci.edu FU National Institutes of Health [GM102318, GM094585]; US Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357] FX This research was supported by National Institutes of Health grants GM102318 (to CWG, CSH and subcontract to Argonne) and GM094585 (to AJ). The use of SBC beamlines was supported by the US Department of Energy, Office of Biological and Environmental Research under contract DE-AC02-06CH11357. NR 40 TC 1 Z9 1 U1 1 U2 5 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2053-230X J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Commun. PD JUN PY 2015 VL 71 BP 702 EP 709 DI 10.1107/S2053230X15006585 PN 6 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CK1SD UT WOS:000355986700013 PM 26057799 ER PT J AU Han, L Wang, SM Zhu, JL Han, SB Li, WM Chen, BJ Wang, XC Yu, XH Liu, BC Zhang, RF Long, YW Cheng, JG Zhang, JZ Zhao, YS Jin, CQ AF Han, Lei Wang, Shanmin Zhu, Jinlong Han, Songbai Li, Wenmin Chen, Bijuan Wang, Xiancheng Yu, Xiaohui Liu, Baochang Zhang, Ruifeng Long, Youwen Cheng, Jinguang Zhang, Jianzhong Zhao, Yusheng Jin, Changqing TI Hardness, elastic, and electronic properties of chromium monoboride SO APPLIED PHYSICS LETTERS LA English DT Article ID SUPERHARD RHENIUM DIBORIDE; OSMIUM DIBORIDE; PRESSURE; CRB4 AB We report high-pressure synthesis of chromium monoboride (CrB) at 6GPa and 1400 K. The elastic and plastic behaviors have been investigated by hydrostatic compression experiment and micro-indentation measurement. CrB is elastically incompressible with a high bulk modulus of 269.0 (5.9) GPa and exhibits a high Vickers hardness of 19.6 (0.7) GPa under the load of 1 kg force. Based on first principles calculations, the observed mechanical properties are attributed to the polar covalent Cr-B bonds interconnected with strong zigzag B-B covalent bonding network. The presence of metallic Cr bilayers is presumably responsible for the weakest paths in shear deformation. (C) 2015 AIP Publishing LLC. C1 [Han, Lei; Li, Wenmin; Chen, Bijuan; Wang, Xiancheng; Yu, Xiaohui; Long, Youwen; Cheng, Jinguang; Zhao, Yusheng; Jin, Changqing] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Han, Lei; Li, Wenmin; Chen, Bijuan; Wang, Xiancheng; Yu, Xiaohui; Long, Youwen; Cheng, Jinguang; Zhao, Yusheng; Jin, Changqing] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Han, Lei; Liu, Baochang] Jilin Univ, Coll Construct Engn, Changchun 130061, Jilin, Peoples R China. [Wang, Shanmin; Zhu, Jinlong; Zhao, Yusheng] Univ Nevada, HiPSEC, Las Vegas, NV 89154 USA. [Wang, Shanmin; Zhu, Jinlong; Zhao, Yusheng] Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. [Han, Songbai] China Inst Atom Energy, Neutron Scattering Lab, Beijing 102413, Peoples R China. [Zhang, Ruifeng] Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China. [Zhang, Jianzhong] Los Alamos Natl Lab, LANSCE Div, Los Alamos, NM 87545 USA. RP Yu, XH (reprint author), Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. EM yuxh@iphy.ac.cn; liubc@jlu.edu.cn; zrf@buaa.edu.cn RI Cheng, Jinguang/A-8342-2012; Long, Youwen/B-2930-2011; OI Zhang, Jianzhong/0000-0001-5508-1782 FU CNSF [51402350, 51471018] FX High pressure synchrotron x-ray experiments in a diamond-anvil cell (DAC) were performed at Beijing Synchrotron Radiation Facility (BSRF), China. This research was supported by CNSF under Contract Nos. 51402350 and 51471018. RFZ thanks to the Fundamental Research Funds for the Central Universities of Beihang University. NR 24 TC 9 Z9 9 U1 11 U2 41 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 JUN 1 PY 2015 VL 106 IS 22 AR 221902 DI 10.1063/1.4922147 PG 4 WC Physics, Applied SC Physics GA CK0VZ UT WOS:000355924700015 ER PT J AU Hu, W Hayashi, K Fukumura, T Akagi, K Tsukada, M Happo, N Hosokawa, S Ohwada, K Takahasi, M Suzuki, M Kawasaki, M AF Hu, Wen Hayashi, Kouichi Fukumura, Tomoteru Akagi, Kazuto Tsukada, Masaru Happo, Naohisa Hosokawa, Shinya Ohwada, Kenji Takahasi, Masamitu Suzuki, Motohiro Kawasaki, Masashi TI Spontaneous formation of suboxidic coordination around Co in ferromagnetic rutile Ti0.95Co0.05O2 film SO APPLIED PHYSICS LETTERS LA English DT Article ID DOPED TITANIUM-DIOXIDE; X-RAY HOLOGRAPHY; ROOM-TEMPERATURE; THIN-FILMS; TIO2; SEMICONDUCTOR; RESOLUTION; VALENCE; XANES; ATOMS AB To evaluate local atomic structures around Co in high temperature diluted ferromagnetic semiconductor Co-doped TiO2, x-ray fluorescence holography and x-ray absorption fine structure experiments were carried out on rutile paramagnetic Ti0.99Co0.01O2 and ferromagnetic Ti0.95Co0.05O2 films. The Co atoms in the Ti0.99Co0.01O2 simply substituted for Ti sites in the rutile structure, whereas a suboxidic arrangement of CoO2Ti4 formed around Co in the Ti0.95Co0.05O2 films. A theoretical investigation based on a series of first-principles calculations indicated the stability of the aggregated suboxidic clusters in the rutile TiO2, supporting our hypothesis for the formation of suboxidic coordination in the highly Co-doped sample. The suboxidic coordination may be the source of strong exchange interaction, resulting in the high Curie temperature in Co-doped TiO2. (C) 2015 AIP Publishing LLC. C1 [Hu, Wen] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. [Hayashi, Kouichi] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan. [Fukumura, Tomoteru] Univ Tokyo, Dept Chem, Tokyo 1130033, Japan. [Akagi, Kazuto; Tsukada, Masaru] Tohoku Univ, Adv Inst Mat Res, Sendai, Miyagi 9808577, Japan. [Happo, Naohisa] Hiroshima City Univ, Sch Informat Sci, Hiroshima 7313194, Japan. [Hosokawa, Shinya] Kumamoto Univ, Grad Sch Sci & Technol, Dept Phys, Kumamoto 8608555, Japan. [Ohwada, Kenji; Takahasi, Masamitu] Japan Atom Energy Agcy, Mikazuki, Hyogo 6795148, Japan. [Suzuki, Motohiro] JASRI SPring 8, Sayo, Hyogo 6795198, Japan. [Kawasaki, Masashi] Univ Tokyo, Quantum Phase Elect Ctr, Tokyo 1138656, Japan. [Kawasaki, Masashi] Univ Tokyo, Dept Appl Phys, Tokyo 1138656, Japan. RP Hayashi, K (reprint author), Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan. EM khayashi@imr.tohoku.ac.jp RI Kawasaki, Masashi/B-5826-2008; Fukumura, Tomoteru/C-2081-2009 OI Fukumura, Tomoteru/0000-0002-8957-3520 FU Japan Society for the Promotion of Science (JSPS) [26105006, 90333880, 26105010, 25286040] FX The XFH experiments were performed at BL39XU (Proposal Nos. 2010A1098 and 2012B1387). The XAFS experiments were performed at BL22XU (Proposal No. 2011A3714). This work was supported by the Japan Society for the Promotion of Science (JSPS) with Grant-in-Aid for Scientific Research on Innovative Areas '3D Active-Site Science' (Nos. 26105006, 90333880, and 26105010) and Grant-in-Aid for Scientific Research (No. 25286040). NR 35 TC 6 Z9 6 U1 6 U2 22 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 JUN 1 PY 2015 VL 106 IS 22 AR 222403 DI 10.1063/1.4921847 PG 5 WC Physics, Applied SC Physics GA CK0VZ UT WOS:000355924700024 ER PT J AU Qu, XP Boreyko, JB Liu, FJ Agapov, RL Lavrik, NV Retterer, ST Feng, JJ Collier, CP Chen, CH AF Qu, Xiaopeng Boreyko, Jonathan B. Liu, Fangjie Agapov, Rebecca L. Lavrik, Nickolay V. Retterer, Scott T. Feng, James J. Collier, C. Patrick Chen, Chuan-Hua TI Self-propelled sweeping removal of dropwise condensate SO APPLIED PHYSICS LETTERS LA English DT Article ID SUPERHYDROPHOBIC NANOSTRUCTURED SURFACES; HEAT-TRANSFER; ENHANCED CONDENSATION; DROPLET; COALESCENCE AB Dropwise condensation can be enhanced by superhydrophobic surfaces on which the condensate drops spontaneously jump upon coalescence. However, the self-propelled jumping in prior reports is mostly perpendicular to the substrate. Here, we propose a substrate design with regularly spaced micropillars. Coalescence on the sidewalls of the micropillars leads to self-propelled jumping in a direction nearly orthogonal to the pillars and therefore parallel to the substrate. This in-plane motion in turn produces sweeping removal of multiple neighboring drops. The spontaneous sweeping mechanism may greatly enhance dropwise condensation in a self-sustained manner. (C) 2015 AIP Publishing LLC. C1 [Qu, Xiaopeng; Liu, Fangjie; Chen, Chuan-Hua] Duke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USA. [Boreyko, Jonathan B.; Agapov, Rebecca L.; Lavrik, Nickolay V.; Retterer, Scott T.; Collier, C. Patrick] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Boreyko, Jonathan B.] Univ Tennessee, Bredesen Ctr Interdisciplinary Res, Knoxville, TN 37996 USA. [Feng, James J.] Univ British Columbia, Dept Math, Vancouver, BC V6T 1Z2, Canada. [Feng, James J.] Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC V6T 1Z3, Canada. RP Chen, CH (reprint author), Duke Univ, Dept Mech Engn & Mat Sci, Durham, NC 27708 USA. EM chuanhua.chen@duke.edu RI Chen, Chuan-Hua/E-9045-2010; Feng, James/A-5826-2009; Lavrik, Nickolay/B-5268-2011; Retterer, Scott/A-5256-2011; Liu, Fangjie/B-7715-2013; OI Chen, Chuan-Hua/0000-0003-3172-8021; Feng, James/0000-0002-7141-5823; Lavrik, Nickolay/0000-0002-9543-5634; Retterer, Scott/0000-0001-8534-1979; Liu, Fangjie/0000-0001-7029-0312; Collier, Charles/0000-0002-8198-793X FU National Science Foundation [CBET-12-36373]; Department of Energy [CNMS-2012-094, CNMS-2014-074]; Natural Sciences and Engineering Research Council of Canada; U.S. Department of Energy [DE-AC05-00OR22725] FX This work was supported by the National Science Foundation (CBET-12-36373) and the Department of Energy (CNMS-2012-094 and CNMS-2014-074). J.J.F. was supported by the Natural Sciences and Engineering Research Council of Canada. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility.; This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). NR 33 TC 15 Z9 15 U1 19 U2 74 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 JUN 1 PY 2015 VL 106 IS 22 AR 221601 DI 10.1063/1.4921923 PG 4 WC Physics, Applied SC Physics GA CK0VZ UT WOS:000355924700009 ER PT J AU Vasudevan, RK Zhang, SJ Ding, JL Okatan, MB Jesse, S Kalinin, SV Bassiri-Gharb, N AF Vasudevan, Rama K. Zhang, Shujun Ding, Jilai Okatan, M. Baris Jesse, Stephen Kalinin, Sergei V. Bassiri-Gharb, Nazanin TI Mesoscopic harmonic mapping of electromechanical response in a relaxor ferroelectric SO APPLIED PHYSICS LETTERS LA English DT Article ID THIN-FILMS; POLYCRYSTALLINE FERROELECTRICS; FORCE MICROSCOPY; DISORDER AB Relaxor-ferroelectrics are renowned for very large electrostrictive response, enabling applications in transducers, actuators, and energy harvesters. However, insight into the dissimilar contributions (polarization rotation, wall motion) to the electromechanical response from electrostrictive strain, and separation of such contributions from linear piezoelectric response are largely ignored at the mesoscale. Here, we employ a band-excitation piezoresponse force microscopy (BE-PFM) technique to explore the first and second harmonics of the piezoelectric response in prototypical relaxor-ferroelectric 0.72Pb(Mg1/3Nb2/3)O-3-0.28PbTiO(3) (PMN-0.28PT) single crystals. Third order polynomial fitting of the second harmonic reveals considerable correlation between the cubic coefficient map and the first harmonic piezoresponse amplitude. These results are interpreted under a modified Rayleigh framework, as evidence for domain wall contributions to enhanced electromechanical response. These studies highlight the contribution of domain wall motion in the electromechanical response of relaxor ferroelectrics, and further show the utility of harmonic BE-PFM measurements in spatially mapping the mesoscopic variability inherent in disordered systems. (C) 2015 AIP Publishing LLC. C1 [Vasudevan, Rama K.; Okatan, M. Baris; Jesse, Stephen; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Vasudevan, Rama K.; Okatan, M. Baris; Jesse, Stephen; Kalinin, Sergei V.] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. [Zhang, Shujun] Penn State Univ, Dept Mat Sci & Engn, Mat Res Inst, University Pk, PA 16802 USA. [Ding, Jilai; Bassiri-Gharb, Nazanin] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Bassiri-Gharb, Nazanin] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RP Bassiri-Gharb, N (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. EM nazanin.bassirigharb@me.gatech.edu RI Bassiri-Gharb, Nazanin/F-1783-2011; Vasudevan, Rama/Q-2530-2015; Kalinin, Sergei/I-9096-2012; Jesse, Stephen/D-3975-2016; Okatan, M. Baris/E-1913-2016; OI Bassiri-Gharb, Nazanin/0000-0002-0183-5160; Vasudevan, Rama/0000-0003-4692-8579; Kalinin, Sergei/0000-0001-5354-6152; Jesse, Stephen/0000-0002-1168-8483; Okatan, M. Baris/0000-0002-9421-7846; Ding, Jilai/0000-0003-3905-8181 FU Division of Materials Sciences and Engineering, BES, DOE; Center for Nanophase Materials Sciences; U.S. National Science Foundation [DMR-1255379] FX This research was sponsored by the Division of Materials Sciences and Engineering, BES, DOE (RKV, SVK). A portion of this research was conducted at and partially supported by (SJ, MBO) the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. N.B.G. acknowledges funding from the U.S. National Science Foundation through Grant No. DMR-1255379. NR 25 TC 2 Z9 2 U1 2 U2 28 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 JUN 1 PY 2015 VL 106 IS 22 AR 222901 DI 10.1063/1.4921925 PG 5 WC Physics, Applied SC Physics GA CK0VZ UT WOS:000355924700031 ER PT J AU Latif, H Szubin, R Tan, J Brunk, E Lechner, A Zengler, K Palsson, BO AF Latif, Haythem Szubin, Richard Tan, Justin Brunk, Elizabeth Lechner, Anna Zengler, Karsten Palsson, Bernhard O. TI A streamlined ribosome profiling protocol for the characterization of microorganisms SO BIOTECHNIQUES LA English DT Article DE ribosome profiling; next-generation sequencing; bacteria; Illumina ID IN-VIVO; TRANSLATION; REVEALS AB Ribosome profiling is a powerful tool for characterizing in vivo protein translation at the genome scale, with multiple applications ranging from detailed molecular mechanisms to systems-level predictive modeling. Though highly effective, this intricate technique has yet to become widely used in the microbial research community. Here we present a streamlined ribosome profiling protocol with reduced barriers to entry for microbial characterization studies. Our approach provides simplified alternatives during harvest, lysis, and recovery of monosomes and also eliminates several time-consuming steps, in particular size-selection steps during library construction. Furthermore, the abundance of rRNAs and tRNAs in the final library is drastically reduced. Our streamlined workflow enables greater throughput, cuts the time from harvest to the final library in half (down to 3-4 days), and generates a high fraction of informative reads, all while retaining the high quality standards of the existing protocol. C1 [Latif, Haythem; Szubin, Richard; Tan, Justin; Zengler, Karsten; Palsson, Bernhard O.] Univ Calif San Diego, Dept Bioengn, La Jolla, CA 92103 USA. [Brunk, Elizabeth] Joint BioEnergy Inst, Fuels Synth Div, Emeryville, CA USA. [Brunk, Elizabeth] Univ Calif Berkeley, Dept Chem & Biomol Engn, Dept Bioengn, Berkeley, CA 94720 USA. [Lechner, Anna] Univ Calif, Inst QB3, Emeryville, CA USA. [Zengler, Karsten; Palsson, Bernhard O.] Tech Univ Denmark, Novo Nordisk Fdn Ctr Biosustainabil, DK-2800 Lyngby, Denmark. RP Zengler, K (reprint author), Univ Calif San Diego, Dept Bioengn, La Jolla, CA 92103 USA. EM kzengler@ucsd.edu OI Zengler, Karsten/0000-0002-8062-3296 FU Novo Nordisk Foundation; NIH [GM102098-01]; National Science Foundation Graduate Research Fellowship [DGE1144086] FX We would like to thank Gene-Wei Li and Johnathan Weissman (University of California, San Francisco) for their input and guidance. We also would like to thank Epicentre. The Novo Nordisk Foundation and NIH U01 grant GM102098-01 provided financial support for this work. H.L. was supported through the National Science Foundation Graduate Research Fellowship under grant DGE1144086. This paper is subject to the NIH Public Access Policy. NR 9 TC 3 Z9 3 U1 3 U2 7 PU BIOTECHNIQUES OFFICE PI NEW YORK PA 52 VANDERBILT AVE, NEW YORK, NY 10017 USA SN 0736-6205 EI 1940-9818 J9 BIOTECHNIQUES JI Biotechniques PD JUN PY 2015 VL 58 IS 6 BP 329 EP 332 DI 10.2144/000114302 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CK3ZT UT WOS:000356156700009 PM 26054770 ER PT J AU Myers, SC Simmons, NA Johannesson, G Matzel, E AF Myers, Stephen C. Simmons, Nathan A. Johannesson, Gardar Matzel, Eric TI Improved Regional and Teleseismic P-Wave Travel-Time Prediction and Event Location Using a Global 3D Velocity Model SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID 3-DIMENSIONAL EARTH MODELS; MANTLE TRANSITION ZONE; SEISMIC LOCATION; NORTH-AFRICA; TOMOGRAPHY; EURASIA; IDENTIFICATION; CONSTRAINTS; UNCERTAINTY; PAKISTAN AB A global validation dataset of 116 seismic events and 20,977 associated Pn and P arrivals is used to assess travel-time prediction and event location accuracy for the global-scale, 3D, P-wave velocity model called LLNL-G3Dv3 (Simmons et al., 2012). Strong regional trends that are observed for ak135 travel-time residuals are largely removed when LLNL-G3Dv3 is used for prediction. The 25th-75th quantile spread of travel-time residuals is reduced by 30%-40% at teleseismic distances, and the spread is reduced by similar to 60% at regional distances (< 16 degrees). Epicenter error decreases when more data are used to constrain event locations until more than similar to 40 arrivals times are used. At which point, epicenter error reduction tends to plateau. Median epicenter errors for the ak135 and LLNL-G3Dv3 models plateau at similar to 8.0 and similar to 5.5 km, respectively, for teleseismic P datasets. Median epicenter errors for the ak135 and LLNL-G3Dv3 models plateau at similar to 12.0 and similar to 4.0 km, respectively, for regional Pn datasets. We demonstrate that spatially correlated travel-time residual errors for the ak135 model lead to increasing epicenter error when similar to 40 to similar to 100 Pn arrivals are used to constrain the location. The effect of correlated error is mitigated by LLNL-G3Dv3, for which epicenter error steadily decreases to similar to 4 km when 100 Pn arrivals are used. The median area of 0.95 epicenter probability bounds for ak135 and LLNL-G3Dv3 are 1811 and 758 km(2), respectively. The ak135 ellipses are inflated to achieve the desired rate of true events occurring inside the probability region, whereas LLNL-G3Dv3 error ellipses based on empirical residual distributions cover the true location at the expected rate because location bias is minimal. C1 [Myers, Stephen C.; Simmons, Nathan A.; Matzel, Eric] Lawrence Livermore Natl Lab, Geophys Monitoring Programs, Livermore, CA 94550 USA. [Johannesson, Gardar] Lawrence Livermore Natl Lab, Syst & Decis Sci, Livermore, CA 94550 USA. RP Myers, SC (reprint author), Lawrence Livermore Natl Lab, Geophys Monitoring Programs, L-046 POB 808,1000 East Ave, Livermore, CA 94550 USA. EM myers30@LLNL.gov RI Simmons, Nathan/J-9022-2014; Myers, Stephen/K-1368-2014 OI Myers, Stephen/0000-0002-0315-5599 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; office of Nuclear Detonation Detection within the National Nuclear Security Administration FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. We thank two anonymous reviews for helpful edits and Michael Pasyanos for internal review and comments. This work was funded by the office of Nuclear Detonation Detection within the National Nuclear Security Administration. NR 52 TC 5 Z9 5 U1 0 U2 3 PU SEISMOLOGICAL SOC AMER PI ALBANY PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA SN 0037-1106 EI 1943-3573 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD JUN PY 2015 VL 105 IS 3 BP 1642 EP 1660 DI 10.1785/0120140272 PG 19 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CK1WW UT WOS:000356000700026 ER PT J AU Cleveland, KM Ammon, CJ AF Cleveland, K. Michael Ammon, Charles J. TI Precise Relative Earthquake Magnitudes from Cross Correlation SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID SURFACE-WAVES AB We present a method to estimate precise relative magnitudes using cross correlation of seismic waveforms. Our method incorporates the intercorrelation of all events in a group of earthquakes, as opposed to individual event pairings relative to a reference event. This method works well when a reliable reference event does not exist. We illustrate the method using vertical strike-slip earthquakes located in the northeast Pacific and Panama fracture zone regions. Our results are generally consistent with the Global Centroid Moment Tensor catalog, which we use to establish a baseline for the relative event sizes. C1 [Cleveland, K. Michael] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Ammon, Charles J.] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. RP Cleveland, KM (reprint author), Los Alamos Natl Lab, EES-17 Geophys,LANL Mail Stn,D446 POB 1663, Los Alamos, NM 87545 USA. EM mike.cleveland@gmail.com; charlesammon@psu.edu FU Defense Threat Reduction Agency [HDTRA1-11-1-0027]; Department of Energy for the Los Alamos National Laboratory [DE-AC52-06NA25396]; Seismological Facilities for the Advancement of Geoscience and EarthScope (SAGE) Proposal of the NSF [EAR-1261681] FX We thank the Defense Threat Reduction Agency for partial support under Award HDTRA1-11-1-0027 (K.M.C.). K.M.C. performed revisions of this work under the auspices of the Department of Energy for the Los Alamos National Laboratory under Contract DE-AC52-06NA25396. We acknowledge the staff and support provided to the Incorporated Research Institutions for Seismology (IRIS)/U.S. Geological Survey (USGS) Global Seismographic Network (GSN) and Global Centroid Moment Tensor (CMT). GSN is a cooperative scientific facility operated jointly by IRIS, USGS, and the National Science Foundation (NSF). The facilities of IRIS Data Services, and specifically the IRIS Data Management Center, were used for access to the waveforms, related metadata, and/or derived products used in this study. IRIS Data Services are funded through the Seismological Facilities for the Advancement of Geoscience and EarthScope (SAGE) Proposal of the NSF under Cooperative Agreement EAR-1261681. We thank Josh Carmichael and Dale Anderson for discussions. We also thank all those who openly share large-earthquake data recorded on their seismic networks. Our thanks also to the developers of ObsPy (Beyreuther et al., 2010) and Matplotlib (Hunter, 2007). NR 11 TC 5 Z9 5 U1 1 U2 5 PU SEISMOLOGICAL SOC AMER PI ALBANY PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA SN 0037-1106 EI 1943-3573 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD JUN PY 2015 VL 105 IS 3 BP 1792 EP 1796 DI 10.1785/0120140329 PG 5 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CK1WW UT WOS:000356000700036 ER PT J AU Salazar-Kuri, U Estevez, JO Antunez, EE Martinez-Aguila, BS Warren, JB Andi, B Cerniglia, ML Stojanoff, V Agarwal, V AF Salazar-Kuri, U. Estevez, J. O. Antunez, E. E. Martinez-Aguila, B. S. Warren, J. B. Andi, Babak Cerniglia, M. L. Stojanoff, V. Agarwal, V. TI Nucleation of Sub-Micrometer Protein Crystals in Square-Shaped Macroporous Silicon Structures SO CRYSTAL GROWTH & DESIGN LA English DT Article ID X-RAY-DIFFRACTION; POROUS SILICON; RAMAN-SPECTROSCOPY; HETEROGENEOUS NUCLEATION; INTEGRATED SOFTWARE; OPTICAL-PROPERTIES; MAGNETIC-FIELD; CRYSTALLIZATION; CRYSTALLOGRAPHY; NANOCRYSTALS AB Macroporous silicon substrates, with square-shaped pores, have been used to crystallize hen egg white lysozyme by the sitting drop vapor diffusion method. The X-ray diffraction technique was used to determine the tetragonal structure of the crystals. Use of an asymmetric anodization procedure to produce pore size gradients in porous structure, ranging from 400 nm to 1 mu m, resulted in the formation of sub-micrometer-sized protein crystals within the macroporous structure. The presence of the crystals was observed by field emission scanning electron microscopy and confirmed by Raman and infrared spectroscopy. The present work provides experimental evidence of sub-micrometer crystal growth from pore corners and rough sides of the pore walls, attributed to the reduction of the potential energy for nucleation, in accordance with the different mathematical models developed so far. C1 [Salazar-Kuri, U.; Martinez-Aguila, B. S.; Andi, Babak; Stojanoff, V.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Warren, J. B.] Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA. [Salazar-Kuri, U.; Estevez, J. O.; Antunez, E. E.; Agarwal, V.] UAEM, Ctr Invest Ingn & Ciencias Aplicadas, Cuernavaca 62209, Morelos, Mexico. [Cerniglia, M. L.] SUNY Binghamton, Dept Bioengn, Binghamton, NY 13902 USA. RP Stojanoff, V (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. EM stojanof@bnl.gov; vagarwal@uaem.mx RI Dey, Kamalesh/E-6568-2017 FU CONACyT [208147, CIAM 188657]; NIGMS of the National Institute of Health (NIH) [GM-0080]; U.S. Department of Energy (DOE) [DE-AC02-98CH10886]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; NIGMS of the NIH [P41GM103473]; U.S. DOE of Biological and Environmental Research [FWP BO-70]; U.S. DOE, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX U.S.K. thanks the postdoctoral fellowship from CONACyT (No. 208147) and also special thanks to the National Institute of General Medical Science (NIGMS) supporting during the research stay at BNL. X6A beamline was supported by the NIGMS of the National Institute of Health (NIH) under agreement GM-0080. The NSLS, Brookhaven National Laboratory is supported by the U.S. Department of Energy (DOE) under Contract No. DE-AC02-98CH10886. JEOL JSM-6500F SEM, Department of Instrumentation and at the Center for Functional Nanomaterials, Brookhaven National Laboratory. FE-SEM Hitachi 4800, 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. BA. was supported by the NIGMS (P41GM103473) of the NIH and the U.S. DOE of Biological and Environmental Research (FWP BO-70). Spectroscopic data were collected at beamline X26-C of the National Synchrotron Light Source (NSLS). Use of the NSLS, Brookhaven National Laboratory, was supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Special thanks to Dr. Ruth Pietri and Ramonita Diaz who assisted S.M. on IR spectroscopy measurements. VA acknowledges the financial support from CONACyT grant CIAM 188657. NR 57 TC 2 Z9 2 U1 1 U2 9 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 2015 VL 15 IS 6 BP 2801 EP 2808 DI 10.1021/acs.cgd.5b00243 PG 8 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CK0JB UT WOS:000355890400034 ER PT J AU Nijem, N Fursich, K Kelly, ST Swain, C Leone, SR Gilles, MK AF Nijem, Nour Fuersich, Katrin Kelly, Stephen T. Swain, Caleb Leone, Stephen R. Gilles, Mary K. TI HKUST-1 Thin Film Layer-by-Layer Liquid Phase Epitaxial Growth: Film Properties and Stability Dependence on Layer Number SO CRYSTAL GROWTH & DESIGN LA English DT Article ID METAL-ORGANIC FRAMEWORKS; QUARTZ-CRYSTAL MICROBALANCE; POROUS COORDINATION POLYMER; SELF-ASSEMBLED MONOLAYERS; FUNCTIONALIZED SURFACES; STORAGE PROPERTIES; FORCE MICROSCOPY; ORIENTED GROWTH; ADSORPTION; DEPOSITION AB The layer-by-layer epitaxial growth of HKUST-1 (Cu-3(btc)(2) where btc = 1,3,5-benzenetricarboxylate) thin films is measured by quartz crystal microbalance with dissipation monitoring (QCM-D), X-ray diffraction (XRD), and scanning electron microscopy (SEM) as a function of the number of layers (20-80 layers) for -OH and -COOH functionalized surfaces. Up to approximately 40 layers, the film growth proceeds by a layer-by-layer mode controlled by the chemical functionalization of the surface. For example, on hydroxylated SiO2, film growth is in the preferred [222] direction. Beyond 40 layers, for both -COOH and -OH functionalized surfaces, the crystallite grain size increases and similar to 50-100 nm octahedral crystals are formed. Independent of the surface functional groups (-COOH and -OH), the octahedral crystals form with the {200} planes oriented parallel to the surface. By monitoring changes in mass and dissipation, the QCM data provides evidence for the change in growth behavior. The stability of the films, determined by measuring CO2 adsorption isotherms, depends on film properties (morphology and grain size) as well as film age. For films deposited on hydroxylated SiO2 surfaces, CO2 uptake decreases rapidly within a few days after film synthesis with the 40 layer films ({222} planes) exhibiting a more pronounced decrease than the 80 layer films ({200} planes, octahedral crystals). The decrease in CO2 uptake is attributed to the differing propensities for water uptake in thin films of different morphologies as evidenced by water vapor adsorption isotherms and Raman spectral changes. C1 [Nijem, Nour; Fuersich, Katrin; Leone, Stephen R.] Univ Calif Berkeley, Dept Chem & Phys, Berkeley, CA 94720 USA. [Nijem, Nour; Fuersich, Katrin; Swain, Caleb; Leone, Stephen R.; Gilles, Mary K.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Kelly, Stephen T.] Carl Zeiss Xray Microscopy Inc, Pleasanton, CA 94588 USA. RP Nijem, N (reprint author), Univ Calif Berkeley, Dept Chem & Phys, Berkeley, CA 94720 USA. EM Nour.nijem@yahoo.com FU Laboratory Directed Research and Development at Lawrence Berkeley National Laboratory; Condensed Phase and Interfacial Molecular Science Program of DOE; Office of the Secretary of Defense National Security Science and Engineering Faculty Fellowship; The German Academic Exchange Service (DAAD); U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; NSF [0416243] FX This work was supported in part by the Laboratory Directed Research and Development at Lawrence Berkeley National Laboratory. M. K. G. is supported through the Condensed Phase and Interfacial Molecular Science Program of DOE. N. N. and S. R. L. were supported by the Office of the Secretary of Defense National Security Science and Engineering Faculty Fellowship. K. F. was supported by The German Academic Exchange Service (DAAD). XRD was performed at beamline 12.3.2 of the Advanced Light Source (ALS) which is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division at Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. The microdiffraction program at the ALS on BL 12.3.2 was made possible by NSF Grant No. 0416243. NR 67 TC 8 Z9 8 U1 19 U2 107 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 2015 VL 15 IS 6 BP 2948 EP 2957 DI 10.1021/acs.cgd.5b00384 PG 10 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CK0JB UT WOS:000355890400052 ER PT J AU Lask, K Booker, K Han, T Granderson, J Yang, NN Ceballos, C Gadgil, A AF Lask, Kathleen Booker, Kayje Han, Taewon Granderson, Jessica Yang, Nina Ceballos, Cristina Gadgil, Ashok TI Performance comparison of charcoal cookstoves for Haiti: Laboratory testing with Water Boiling and Controlled Cooking Tests SO ENERGY FOR SUSTAINABLE DEVELOPMENT LA English DT Article DE Haiti; Cookstove; Charcoal; Water Boiling Test; Controlled Cooking Test ID EMISSIONS; FUEL AB Charcoal cooking accounts for a large portion of Haiti's energy usage and leads to severe economic, health, and environmental hardships. Organizations are hoping that fuel-efficient cookstoves can help solve the problem. In this study, four charcoal cookstoves intended for dissemination in Haiti were rigorously assessed and compared using Water Boiling and Controlled Cooking Tests. Due to the poor thermal efficiency of the traditional stove, all improved stoves saved fuel on average over the traditional with the majority also reducing the total emissions released. However, the traditional stove could be difficult to replace because it had the fastest time-to-boil, an important consideration for end users. Through the testing, the number of trials conducted was found to be an important consideration for error analysis. Also, noticeable differences in stove performance were seen between the two protocols, supporting arguments by prior researchers of the necessity to use multiple test protocols for practically useful comparisons. (C) 2015 International Energy Initiative. Published by Elsevier Inc. All rights reserved. C1 [Lask, Kathleen; Booker, Kayje; Ceballos, Cristina; Gadgil, Ashok] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Lask, Kathleen; Han, Taewon; Granderson, Jessica; Yang, Nina; Gadgil, Ashok] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Lask, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd Mailstop 90R2121, Berkeley, CA 94720 USA. EM kmlask@lbl.gov FU Laboratory Directed Research and Development funds from Lawrence Berkeley National Laboratory under U.S. Department of Energy [DE-AC02-05CH11231]; Department of Defense; National Science Foundation FX This research was supported by Laboratory Directed Research and Development funds from Lawrence Berkeley National Laboratory under the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Fellowships from the Department of Defense and National Science Foundation were provided in support of Ms. Lask. The authors would like to thank Mouhsine Serrar and Peter Scott of Nexant for their aid in developing the CCT protocol for Haiti, and gratefully acknowledge Douglas Sullivan and Odelle Hadley for their support, help, and advice in this work. We would like to acknowledge the contributions of Jennifer Jones and Yungang Wang in the completion of this manuscript. The authors also thank the several students and interns who conducted the many hours of stove tests with careful attention and diligence. NR 18 TC 1 Z9 1 U1 2 U2 11 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 2015 VL 26 BP 79 EP 86 DI 10.1016/j.esd.2015.02.002 PG 8 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA CK0GI UT WOS:000355883300008 ER PT J AU Shaffer, F Savas, O Lee, K de Vera, G AF Shaffer, Frank Savas, Oemer Lee, Kenneth de Vera, Giorgio TI Determining the discharge rate from a submerged oil leak jet using ROV video SO FLOW MEASUREMENT AND INSTRUMENTATION LA English DT Article DE Flow rate; Leak rate; Oil leak; Particle Image Velocimetry (PIV); Deepwater horizon ID TURBULENCE AB With expanded deep sea drilling in the Gulf of Mexico, and possibly the Arctic, it is imperative to have a technology available to quickly and accurately measure the discharge rate from a submerged oil leak jet. This paper describes an approach to measure the discharge rate using video from a Remotely Operated Vehicle (ROV). ROV video can be used to measure the velocity of visible features (turbulent eddies, vortices, entrained particles) on the boundary of an oil leak jet, from which the discharge rate can be estimated. This approach was first developed by the Flow Rate Technical Group (FRTG) Plume Team, of which the authors Sava and Shaffer were members, during the response to the Deepwater Horizon (DWH) oil leak. Manual tracking of visible features produced the first accurate government estimates of the oil discharge rate from the DVVH. However, for this approach to be practical as a routine response tool, software is required that automatically measures the velocity of visible features. To further develop this approach, experiments were conducted to simulate a submerged oil leak jet using a dye-colored water jet in the U.C. Berkeley Tow Tank facility. jet exit diameters were 10.2 cm and 20.3 cm. With flow rates up to 11 gal/s, Reynolds numbers in the range of the DWH oil leak jets (up to 500,000) were achieved. The dye-colored water jets were recorded with high speed video and radial profiles of velocity were mapped with Laser Doppler Anemometry (LDA). Particle Image Velocimetry (Ply) software was applied to measure the velocity of visible features. The velocities measured with Ply software were in good agreement with the LDA measurements. Finally, the PIV software was applied to ROV video of the DWH oil leak jet. The measured velocities were 10-50% lower than manual measurements of velocity. More research is required to determine the reasons why Ply software produced much lower velocities than manual tracking for the DWH oil leak jet. Published by Elsevier Ltd. C1 [Shaffer, Frank] US DOE, Natl Energy Technol Lab, Washington, DC 20585 USA. [Savas, Oemer; Lee, Kenneth; de Vera, Giorgio] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA USA. RP Shaffer, F (reprint author), US DOE, Natl Energy Technol Lab, Washington, DC 20585 USA. NR 30 TC 1 Z9 1 U1 5 U2 9 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 2015 VL 43 BP 34 EP 46 DI 10.1016/j.flowmeasinst.2014.12.006 PG 13 WC Engineering, Mechanical; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA CK3HC UT WOS:000356106200005 ER PT J AU Long, F Wu, Y Jin, H Yu, M Han, QY Ling, F Kalish, M AF Long, Feng Wu, Yu Jin, Huan Yu, Min Han, Qiyang Ling, Feng Kalish, Michael TI Manufacture of mineral-insulated conductor for ITER prototype ELM and VS coil SO FUSION ENGINEERING AND DESIGN LA English DT Article DE ITER; In-vessel coil; Mineral-insulated conductor AB An ITER Organization (ID) Task Agreement (TA) "Final Design and Prototyping of the ITER In-Vessel Coils (IVC) and Feeders" is almost finished by Institute of Plasma Physics, Chinese Academy of Sciences (ASIPP). ITER IVCs consist of edge-localized mode (ELM) and vertical stabilization (VS) coils. One prototype Mid-ELM coil complete with 19 brackets brazed with the conductors and one prototype 120 degrees section of upper VS coil with structural components brazed to the conductors have been fabricated. Compaction method is developed successfully for the mineral-insulated conductor (MIC) manufacture. Approximate 110 m Inconel 625 jacket MICs for Mid-ELM prototype coil and 80m stainless steel 316L jacket MICs for VS prototype coil were manufactured. Most of the copper tubes used for the MICs fabrication failed the ultrasonic testing (UT), but the jacket tubes have good passing rate. Manufacture processes and inspection for the MICs are presented in this paper. (C) 2015 Elsevier B.V. All rights reserved. C1 [Long, Feng; Wu, Yu; Jin, Huan; Yu, Min; Han, Qiyang; Ling, Feng] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. [Kalish, Michael] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Long, F (reprint author), Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China. EM longf@ipp.ac.cn FU ITER TA [C15TD73FP] FX The author would like to thank for the useful discussion with ITER former employee Edward Daly and the IVC RO Anna ENCHEVA from ITER. This work is supported by the ITER TA No. C15TD73FP. The view and opinions expressed herein do not necessarily reflect those of the ITER Organization. NR 6 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 EI 1873-7196 J9 FUSION ENG DES JI Fusion Eng. Des. PD JUN PY 2015 VL 95 BP 67 EP 71 DI 10.1016/j.fusengdes.2015.04.033 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CK3LR UT WOS:000356118100010 ER PT J AU Giorgio, E Robyr, D Spielmann, M Ferrero, E Di Gregorio, E Imperiale, D Vaula, G Stamoulis, G Santoni, F Atzori, C Gasparini, L Ferrera, D Canale, C Guipponi, M Pennacchio, LA Antonarakis, SE Brussino, A Brusco, A AF Giorgio, Elisa Robyr, Daniel Spielmann, Malte Ferrero, Enza Di Gregorio, Eleonora Imperiale, Daniele Vaula, Giovanna Stamoulis, Georgios Santoni, Federico Atzori, Cristiana Gasparini, Laura Ferrera, Denise Canale, Claudio Guipponi, Michel Pennacchio, Len A. Antonarakis, Stylianos E. Brussino, Alessandro Brusco, Alfredo TI A large genomic deletion leads to enhancer adoption by the lamin B1 gene: a second path to autosomal dominant adult-onset demyelinating leukodystrophy (ADLD) SO HUMAN MOLECULAR GENETICS LA English DT Article ID ATOMIC-FORCE MICROSCOPY; AUTONOMIC SYMPTOMS; TRANSCRIPTION FACTORS; HUMAN-DISEASE; SPINAL-CORD; DUPLICATION; FAMILY; CELLS; NEUROPATHOLOGY; EXPRESSION AB Chromosomal rearrangements with duplication of the lamin B1 (LMNB1) gene underlie autosomal dominant adult-onset demyelinating leukodystrophy (ADLD), a rare neurological disorder in which overexpression of LMNB1 causes progressive central nervous system demyelination. However, we previously reported an ADLD family (ADLD-1-TO) without evidence of duplication or other mutation in LMNB1 despite linkage to the LMNB1 locus and lamin B1 overexpression. By custom array-CGH, we further investigated this family and report here that patients carry a large (similar to 660 kb) heterozygous deletion that begins 66 kb upstream of the LMNB1 promoter. Lamin B1 overexpression was confirmed in further ADLD-1-TO tissues and in a postmortem brain sample, where lamin B1 was increased in the frontal lobe. Through parallel studies, we investigated both loss of genetic material and chromosomal rearrangement as possible causes of LMNB1 overexpression, and found that ADLD-1-TO plausibly results from an enhancer adoption mechanism. The deletion eliminates a genome topological domain boundary, allowing normally forbidden interactions between at least three forebrain-directed enhancers and the LMNB1 promoter, in line with the observed mainly cerebral localization of lamin B1 overexpression and myelin degeneration. This second route to LMNB1 overexpression and ADLD is a new example of the relevance of regulatory landscape modifications in determining Mendelian phenotypes. C1 [Giorgio, Elisa; Ferrero, Enza; Di Gregorio, Eleonora; Brussino, Alessandro; Brusco, Alfredo] Univ Turin, Dept Med Sci, I-10126 Turin, Italy. [Robyr, Daniel; Stamoulis, Georgios; Santoni, Federico; Guipponi, Michel; Antonarakis, Stylianos E.] Univ Geneva, Sch Med, Dept Genet Med & Dev, CH-1211 Geneva, Switzerland. [Spielmann, Malte] Max Planck Inst Mol Genet, D-14195 Berlin, Germany. [Di Gregorio, Eleonora; Brusco, Alfredo] Citta Salute & Sci Univ Hosp, Med Genet Unit, I-10126 Turin, Italy. [Vaula, Giovanna] Citta Salute & Sci Univ Hosp, Dept Neurol, I-10126 Turin, Italy. [Imperiale, Daniele; Atzori, Cristiana] Ctr Reg Malattie Da Prioni Domp ASLTO2, I-10144 Turin, Italy. [Gasparini, Laura; Ferrera, Denise] Ist Italiano Tecnol, Dept Neurosci & Brain Technol, I-16163 Genoa, Italy. [Canale, Claudio] Ist Italiano Tecnol, Dept Nanophys, I-16163 Genoa, Italy. [Pennacchio, Len A.] Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 9472 USA. RP Brusco, A (reprint author), Univ Turin, Dept Med Sci, Via Santena 19, I-10126 Turin, Italy. EM alfredo.brusco@unito.it RI Brusco, Alfredo/A-1811-2013; Antonarakis, Stylianos/N-8866-2014; OI Brusco, Alfredo/0000-0002-8318-7231; Giorgio, Elisa/0000-0003-4076-4649; Antonarakis, Stylianos/0000-0001-8907-5823; Gasparini, Laura/0000-0003-3894-9898 FU Telethon [GGP10184]; ELA Foundation [2001-006C2]; ERC [249968]; SNF [144082]; National Human Genome Research Institute [HG003988, U54HG006997]; Department of Energy [DE-AC02-05CH11231]; Fondazione Telethon FX This work was supported by Telethon grant number GGP10184 and ELA Foundation grant number 2001-006C2 to A. Brusco and L. Gasparini; ERC grant number 249968 and SNF grant number 144082 to S.E.A. L.A.P. was supported by grants HG003988 and U54HG006997 funded by National Human Genome Research Institute. Part of this research was conducted at the E.O. Lawrence Berkeley National Laboratory and performed under Department of Energy Contract DE-AC02-05CH11231, University of California. Funding to pay the Open Access publication charges for this article was provided by Fondazione Telethon. NR 61 TC 17 Z9 18 U1 2 U2 5 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0964-6906 EI 1460-2083 J9 HUM MOL GENET JI Hum. Mol. Genet. PD JUN 1 PY 2015 VL 24 IS 11 BP 3143 EP 3154 DI 10.1093/hmg/ddv065 PG 12 WC Biochemistry & Molecular Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Genetics & Heredity GA CJ7KN UT WOS:000355674000012 PM 25701871 ER PT J AU Lone, AG Atci, E Renslow, R Beyenal, H Noh, S Fransson, B Abu-Lail, N Park, JJ Gang, DR Call, DR AF Lone, Abdul G. Atci, Erhan Renslow, Ryan Beyenal, Haluk Noh, Susan Fransson, Boel Abu-Lail, Nehal Park, Jeong-Jin Gang, David R. Call, Douglas R. TI Staphylococcus aureus Induces Hypoxia and Cellular Damage in Porcine Dermal Explants SO INFECTION AND IMMUNITY LA English DT Article ID INDUCED APOPTOSIS; CHRONIC WOUNDS; LACTATE-DEHYDROGENASE; CELLS; OXYGEN; P53; PH; INFECTIONS; PROTEIN; SKIN AB We developed a porcine dermal explant model to determine the extent to which Staphylococcus aureus biofilm communities deplete oxygen, change pH, and produce damage in underlying tissue. Microelectrode measurements demonstrated that dissolved oxygen (DO) in biofilm-free dermal tissue was 4.45 +/- 1.17 mg/liter, while DO levels for biofilm-infected tissue declined sharply from the surface, with no measurable oxygen detectable in the underlying dermal tissue. Magnetic resonance imaging demonstrated that biofilm-free dermal tissue had a significantly lower relative effective diffusion coefficient (0.26 +/- 0.09 to 0.30 +/- 0.12) than biofilm-infected dermal tissue (0.40 +/- 0.12 to 0.48 +/- 0.12; P < 0.0001). Thus, the difference in DO level was attributable to biofilm-induced oxygen demand rather than changes in oxygen diffusivity. Microelectrode measures showed that pH within biofilm-infected explants was more alkaline than in biofilm-free explants (8.0 +/- 0.17 versus 7.5 +/- 0.15, respectively; P < 0.002). Cellular and nuclear details were lost in the infected explants, consistent with cell death. Quantitative label-free shotgun proteomics demonstrated that both proapoptotic programmed cell death protein 5 and antiapoptotic macrophage migration inhibitory factor accumulated in the infected-explant spent medium, compared with uninfected-explant spent media (1,351-fold and 58-fold, respectively), consistent with the cooccurrence of apoptosis and necrosis in the explants. Biofilm-origin proteins reflected an extracellular matrix-adapted lifestyle of S. aureus. S. aureus biofilms deplete oxygen, increase pH, and induce cell death, all factors that contribute to impede wound healing. C1 [Lone, Abdul G.; Call, Douglas R.] Washington State Univ, Paul G Allen Sch Global Anim Hlth, Pullman, WA 99164 USA. [Atci, Erhan; Beyenal, Haluk; Abu-Lail, Nehal] Washington State Univ, Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. [Renslow, Ryan] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Noh, Susan] ARS, Anim Dis Res Unit, USDA, Pullman, WA USA. [Noh, Susan] Washington State Univ, Dept Vet Microbiol & Pathol, Pullman, WA 99164 USA. [Fransson, Boel; Park, Jeong-Jin; Gang, David R.] Washington State Univ, Dept Vet Clin Sci, Inst Biol Chem, Pullman, WA 99164 USA. RP Call, DR (reprint author), Washington State Univ, Paul G Allen Sch Global Anim Hlth, Pullman, WA 99164 USA. EM drcall@wsu.edu OI Call, Douglas/0000-0001-6791-055X FU U.S. Department of Defense [DM110308]; Agricultural Animal Health Program, Washington State University; Washington State Agricultural Research Center, Pullman, WA; National Science Foundation [DBI-1229749]; Department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory; Linus Pauling Distinguished Postdoctoral Fellowship at Pacific Northwest National Laboratory FX This research was supported in part by a grant (DM110308) from the U.S. Department of Defense and by the Agricultural Animal Health Program, Washington State University, and the Washington State Agricultural Research Center, Pullman, WA. Mass spectrometric analysis was performed on an instrument acquired through a Major Research Instrumentation grant (DBI-1229749) from National Science Foundation to DRG. All NMR experiments were performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. Ryan Renslow was also partially supported by a Linus Pauling Distinguished Postdoctoral Fellowship at Pacific Northwest National Laboratory. NR 77 TC 9 Z9 9 U1 0 U2 15 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0019-9567 EI 1098-5522 J9 INFECT IMMUN JI Infect. Immun. PD JUN PY 2015 VL 83 IS 6 BP 2531 EP 2541 DI 10.1128/IAI.03075-14 PG 11 WC Immunology; Infectious Diseases SC Immunology; Infectious Diseases GA CK5DS UT WOS:000356243000030 PM 25847960 ER PT J AU Fujita, E Goldman, AS AF Fujita, Etsuko Goldman, Alan S. TI Preface for Small-Molecule Activation: Carbon-Containing Fuels SO INORGANIC CHEMISTRY LA English DT Editorial Material ID CO2 HYDROGENATION; COMPLEXES; FUNCTIONALIZATION; DEHYDROGENATION; REDUCTION; PROPANE C1 [Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Goldman, Alan S.] Rutgers State Univ, Dept Chem & Chem Biol, New Brunswick, NJ 08903 USA. RP Fujita, E (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM fujita@bnl.gov; alan.goldman@rutgers.edu OI Goldman, Alan/0000-0002-2774-710X NR 17 TC 3 Z9 3 U1 0 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD JUN 1 PY 2015 VL 54 IS 11 BP 5040 EP 5042 DI 10.1021/acs.inorgchem.5b00790 PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CJ6XI UT WOS:000355638100002 PM 26027480 ER PT J AU Onishi, N Xu, SA Manaka, Y Suna, Y Wang, WH Muckerman, JT Fujita, E Himeda, Y AF Onishi, Naoya Xu, Shaoan Manaka, Yuichi Suna, Yuki Wang, Wan-Hui Muckerman, James T. Fujita, Etsuko Himeda, Yuichiro TI CO2 Hydrogenation Catalyzed by Iridium Complexes with a Proton-Responsive Ligand SO INORGANIC CHEMISTRY LA English DT Article ID CARBON-DIOXIDE HYDROGENATION; FORMIC-ACID DEHYDROGENATION; DEFINED IRON CATALYST; HOMOGENEOUS HYDROGENATION; AQUEOUS-SOLUTION; MILD CONDITIONS; SELECTIVE DEHYDROGENATION; REVERSIBLE HYDROGENATION; HYDROGEN/CARBON DIOXIDE; RUTHENIUM(II) COMPLEXES AB The catalytic cycle for the production of formic acid by CO2 hydrogenation and the reverse reaction have received renewed attention because they are viewed as offering a viable scheme for hydrogen storage and release. In this Forum Article, CO2 hydrogenation catalyzed by iridium complexes bearing sophisticated N<^>N-bidentate ligands is reported. We describe how a ligand containing hydroxy groups as proton-responsive substituents enhances the catalytic performance by an electronic effect of the oxyanions and a pendent-base effect through secondary coordination sphere interactions. In particular, [(Cp*IrCl)(2)(TH2BPM)]Cl-2 (Cp* = pentamethylcyclopentadienyl; TH2BPM = 4,4',6,6'-tetrahydroxy-2,2'-bipyrimidine) enormously promotes the catalytic hydrogenation of CO2 in basic water by these synergistic effects under atmospheric pressure and at room temperature. Additionally, newly designed complexes with azole-type ligands were applied to CO2 hydrogenation. The catalytic efficiencies of the azole-type complexes were much higher than that of the unsubstituted bipyridine complex [Cp*Ir(bpy)(OH2)]SO4. Furthermore, the introduction of one or more hydroxy groups into ligands such as 2-pyrazolyl-6-hydroxypyridine, 2-pyrazolyl-4,6-dihydroxypyrimidine, and 4-pyrazolyl-2,6-dihydroxypyrimidine enhanced the catalytic activity. It is clear that the incorporation of additional electron-donating functionalities into proton-responsive azole-type ligands is effective for promoting further enhanced hydrogenation of CO2. C1 [Onishi, Naoya; Xu, Shaoan; Manaka, Yuichi; Suna, Yuki; Wang, Wan-Hui; Himeda, Yuichiro] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058565, Japan. [Onishi, Naoya; Xu, Shaoan; Himeda, Yuichiro] Japan Sci & Technol Agcy JST, ACT C, Kawaguchi, Saitama 3320012, Japan. [Muckerman, James T.; Fujita, Etsuko] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Himeda, Y (reprint author), Natl Inst Adv Ind Sci & Technol, Tsukuba Cent 5,1-1-1 Higashi, Tsukuba, Ibaraki 3058565, Japan. EM himeda.y@aist.go.jp RI Wang, Wan-Hui/J-8773-2012; Onishi, Naoya/I-6373-2016; OI Wang, Wan-Hui/0000-0002-5943-4589; Manaka, Yuichi/0000-0001-5872-3365 FU JST, ACT-C; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC00112704] FX N.O., S.X., and Y.H. thank the JST, ACT-C, for financial support. The work at BNL was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-SC00112704. NR 93 TC 22 Z9 22 U1 6 U2 81 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD JUN 1 PY 2015 VL 54 IS 11 BP 5114 EP 5123 DI 10.1021/ic502904q PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CJ6XI UT WOS:000355638100010 PM 25691331 ER PT J AU Iturrondobeitia, A Goni, A Orue, I de Muro, IG Lezama, L Doeff, MM Rojo, T AF Iturrondobeitia, A. Goni, A. Orue, I. Gil de Muro, I. Lezama, L. Doeff, M. M. Rojo, T. TI Effect of Carbon Coating on the Physicochemical and Electrochemical Properties of Fe2O3 Nanoparticles for Anode Application in High Performance Lithium Ion Batteries SO INORGANIC CHEMISTRY LA English DT Article ID GAMMA-FE2O3 NANOPARTICLES; NEGATIVE-ELECTRODE; ENERGY-STORAGE; MAGHEMITE; TRANSITION; PARTICLES; STABILITY; MOSSBAUER; CAPACITY; ALPHA-FE2O3 AB Nanoparticulate Fe2O3 and Fe2O3/C composites with different carbon proportions have been prepared for anode application in lithium ion batteries (LIBs). Morphological studies revealed that particles of Fe2O3 in the composites were well-dispersed in the matrix of amorphous carbon. The properties of the gamma-Fe2O3 nanoparticles and the correlation with the particle size and connectivity were studied by electron paramagnetic resonance, magnetic, and Mossbauer measurements. The electrochemical study revealed that composites with carbon have promising electrochemical performances. These samples yielded specific discharge capacities of 1200 mAh/g after Operating for 100 cycles at 1C. These excellent results Could be explained by the homogeneity of particle size and structure as well as the uniform distribution of gamma-Fe2O3 nanoparticles in the in situ generated amorphous carbon matrix. C1 [Iturrondobeitia, A.; Goni, A.; Gil de Muro, I.; Lezama, L.; Rojo, T.] Univ Pais Vasco UPV EHU, Dept Quim Inorgan, Bilbao 48080, Spain. [Iturrondobeitia, A.; Rojo, T.] CIC EnergiGUNE, Minano 01510, Alava, Spain. [Goni, A.; Gil de Muro, I.; Lezama, L.] BCMATERIALS, Derio 48160, Spain. [Orue, I.] Univ Pais Vasco UPV EHU, Fac Ciencia & Tecnol, Dept Elect & Elect, Bilbao 48080, Spain. [Doeff, M. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Rojo, T (reprint author), Univ Pais Vasco UPV EHU, Dept Quim Inorgan, POB 644, Bilbao 48080, Spain. EM trojo@cicenergigune.com RI Rojo, Teofilo/B-5197-2015; IZASKUN, GIL DE MURO/F-3733-2016; Lezama, Luis/M-1544-2013; OI Rojo, Teofilo/0000-0003-2711-8458; Lezama, Luis/0000-0001-6183-2052; Izaskun, Gil de Muro/0000-0002-5277-7386 FU Ministerio de Economia y Competitividad [MAT2013-41128-R, ENE2013-44330-R]; Gobierno Vasco/Eusko Jaurlaritza [ITS70-13, ETORTEK CICENERGIGUNE10, SAIOTEK S-PE12UN140]; Gobierno Vasco/Eusko Jaurlaritza FX This work was financially supported by the Ministerio de Economia y Competitividad (MAT2013-41128-R and ENE2013-44330-R) and the Gobierno Vasco/Eusko Jaurlaritza (ITS70-13, ETORTEK CICENERGIGUNE10, SAIOTEK S-PE12UN140). A.I. thanks the Gobierno Vasco/Eusko Jaurlaritza for a fellowship. NR 40 TC 6 Z9 6 U1 4 U2 48 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD JUN 1 PY 2015 VL 54 IS 11 BP 5239 EP 5248 DI 10.1021/acs.inorgchem.5b00203 PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CJ6XI UT WOS:000355638100027 PM 25985317 ER PT J AU Jantzen, CM Imrich, KJ Pickett, JB Brown, KG AF Jantzen, Carol M. Imrich, Kenneth J. Pickett, John B. Brown, Kevin G. TI High Chrome Refractory Characterization: Part I. Impact of Melt Reduction/Oxidation on the Corrosion Mechanism SO INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE LA English DT Article ID SPINEL-NEPHELINE LIQUIDUS; NUCLEAR-WASTE; GLASS; VITRIFICATION; CHEMISTRY; ALUMINA AB High Cr2O3 containing Monofrax K-3 is a robust refractory that is used in the fiberglass industry and used in radioactive waste glass melters worldwide. Monofrax K-3 is tolerant of transition metal oxides but contains highly reduced solid solutions of spinels, that is, (Mg,Fe2+)(Al,Cr)(2)O-3. Conversely, many of the waste feeds being processed are highly oxidizing. The K-3 refractory corrosion was tested in sealed crucibles starting with slurried melter feed instead of prereacted glass called for by ASTM C621. Testing the refractory coupon during the feed-to-glass conversion exposes the refractory to the oxidizing and reducing species being released during vitrification, for example, NO3-, NO2-, CO2, CO, O-2. Corrosion rates measured in highly oxidizing (high nitrate) feeds were similar to 1.8-2.8 times higher than those determined using prereacted glass or reduced feeds. Confirmatory corrosion rates were measured on Monofrax K-3 coupons immersed in oxidizing feed in a 1/100th-scale HLW pilot-scale melter. Corrosion is heterogeneous or incongruent as Ni and Fe in the waste glass exchange with Mg and Al in the refractory. An insoluble NiFe2O4 spinel corrosion product is formed that can build up a protective layer along the refractory walls or spall and settle to the melter floor depending on melt pool convection/agitation. C1 [Jantzen, Carol M.; Imrich, Kenneth J.; Pickett, John B.] Savannah River Natl Lab, Savannah River Nucl Solut, Aiken, SC 29808 USA. [Brown, Kevin G.] Vanderbilt Univ, Dept Civil & Environm Engn, Nashville, TN 37235 USA. RP Jantzen, CM (reprint author), Savannah River Natl Lab, Savannah River Nucl Solut, Aiken, SC 29808 USA. EM carol.jantzen@srnl.doe.gov FU U.S. Department of Energy [DE-AC09-76SR00001, DE-AC09-96SR18500, DE-AC09-08SR2 2470] FX The authors would like to gratefully acknowledge the assistance of SRNL's Analytic Development personnel. This study was prepared in connection with work carried out under Contract Nos. DE-AC09-76SR00001, DE-AC09-96SR18500, DE-AC09-08SR2 2470 with the U.S. Department of Energy. NR 48 TC 1 Z9 1 U1 4 U2 11 PU WILEY PERIODICALS, INC PI SAN FRANCISCO PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA SN 2041-1286 EI 2041-1294 J9 INT J APPL GLASS SCI JI Int. J. Appl. Glass Sci. PD JUN PY 2015 VL 6 IS 2 SI SI BP 137 EP 157 DI 10.1111/ijag.12105 PG 21 WC Materials Science, Ceramics SC Materials Science GA CK0FT UT WOS:000355881600004 ER PT J AU Jantzen, CM Imrich, KJ Pickett, JB Brown, KG AF Jantzen, Carol M. Imrich, Kenneth J. Pickett, John B. Brown, Kevin G. TI High Chrome Refractory Characterization: Part II. Accumulation of Spinel Corrosion Deposits in Radioactive Waste Glass Melters SO INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE LA English DT Article ID NEPHELINE LIQUIDUS; NUCLEAR; VITRIFICATION AB High Cr2O3 containing Monofrax K-3 is a robust refractory that is used in radioactive waste glass melters worldwide. Monofrax K-3 contains highly reduced phases. Conversely, many of the radioactive feeds being processed are highly oxidizing. The K-3 refractory corrosion rates in oxidizing (high nitrate) feeds were similar to 1.8-2.8 times higher than the rates determined using reducing feeds. The corrosion product formed is a mixture of spinel and glass (slag) that can accumulate on the melter floor. A methodology to calculate the depth of slag deposits from refractory corrosion is presented and verified with slag measurements from the Defense Waste Processing Facility (DWPF) melter after it had processed oxidized feeds for 1.75years. The calculations show that had the facility continued to process oxidized feeds the melter lifetime (based on when the deposits could have reached and blocked the pour spout riser) would have been similar to 4.5years. The DWPF changed to a reducing flow sheet after similar to 3years of operation. The lifetimes of Melter #1 and Melter #2, assuming a failure due to pour spout blockage, are calculated as 7.7-12years based on corrosion rates measured with reducing feeds. Lifetimes of 9 and >11years have actually been achieved. C1 [Jantzen, Carol M.; Imrich, Kenneth J.; Pickett, John B.] Savannah River Natl Lab, Savannah River Nucl Solut, Aiken, SC 29808 USA. [Brown, Kevin G.] Vanderbilt Univ, Dept Civil & Environm Engn, Nashville, TN 37235 USA. RP Jantzen, CM (reprint author), Savannah River Natl Lab, Savannah River Nucl Solut, Aiken, SC 29808 USA. EM carol.jantzen@srnl.doe.gov FU U.S. Department of Energy [DE-AC09-76SR00001, DE-AC09-96SR18500, DE-AC09-08SR22470] FX Many thanks are due to Alex Cozzi and Bruce Hardy of SRNL for their many helpful discussions about mechanisms by which melt pool deposits can form and be transported. The authors would like to gratefully acknowledge the assistance of SRNL's Analytic Development personnel. This paper was prepared in connection with work done under Contract Nos. DE-AC09-76SR00001, DE-AC09-96SR18500, DE-AC09-08SR22470 with the U.S. Department of Energy. NR 46 TC 0 Z9 0 U1 4 U2 7 PU WILEY PERIODICALS, INC PI SAN FRANCISCO PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA SN 2041-1286 EI 2041-1294 J9 INT J APPL GLASS SCI JI Int. J. Appl. Glass Sci. PD JUN PY 2015 VL 6 IS 2 SI SI BP 158 EP 171 DI 10.1111/ijag.12104 PG 14 WC Materials Science, Ceramics SC Materials Science GA CK0FT UT WOS:000355881600005 ER PT J AU Burleyson, CD Long, CN Comstock, JM AF Burleyson, Casey D. Long, Charles N. Comstock, Jennifer M. TI Quantifying Diurnal Cloud Radiative Effects by Cloud Type in the Tropical Western Pacific SO JOURNAL OF APPLIED METEOROLOGY AND CLIMATOLOGY LA English DT Article ID GENERAL-CIRCULATION MODEL; NINO-SOUTHERN-OSCILLATION; DEEP CONVECTIVE SYSTEMS; EL-NINO; CLIMATE FEEDBACKS; CIRRUS CLOUDS; NAURU ISLAND; WARM POOL; A-TRAIN; PRECIPITATION AB Cloud radiative effects are examined using long-term datasets collected at the U.S. Department of Energy's three Atmospheric Radiation Measurement Program Climate Research Facilities in the tropical western Pacific Ocean. The surface radiation budget, cloud populations, and cloud radiative effects are quantified by partitioning the data by cloud type, time of day, and large-scale modes of variability such as El Nino-Southern Oscillation (ENSO) phase and wet/dry seasons at Darwin, Australia. The novel aspect of this analysis is the breakdown of aggregate cloud radiative effects by cloud type across the diurnal cycle. The Nauru Island (Republic of Nauru) cloud populations and subsequently the surface radiation budget are strongly impacted by ENSO variability, whereas the cloud populations over Manus Island (Papua New Guinea) shift only slightly in response to changes in ENSO phase. The Darwin site exhibits large seasonal monsoon-related variations. When present, deeper convective clouds have a strong influence on the amount of radiation that reaches the surface. Their limited frequency reduces their aggregate radiative impact, however. The largest source of shortwave cloud radiative effects at all three sites comes from low clouds. The observations are used to demonstrate that potential model biases in the amplitude of the diurnal cycle and mean cloud frequency would lead to larger errors in the surface energy budget when compared with biases in the timing of the diurnal cycle of cloud frequency. These results provide solid benchmarks to evaluate model simulations of cloud radiative effects in the tropics. C1 [Burleyson, Casey D.; Long, Charles N.; Comstock, Jennifer M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Burleyson, CD (reprint author), Pacific NW Natl Lab, POB 999 MS K9-24, Richland, WA 99352 USA. EM casey.burleyson@pnnl.gov RI Burleyson, Casey/F-1833-2016 OI Burleyson, Casey/0000-0001-6218-9361 FU U.S. Department of Energy, Office of Science, Biological and Environmental Research, as part of the Atmospheric System Research (ASR) Program; DOE by Battelle Memorial Institute [DE-AC06-76RLO 1830] FX Zhe Feng, Julia Flaherty, Samson Hagos, and Laura Riihimaki provided valuable feedback on this work. This research is based on work that was supported by the U.S. Department of Energy, Office of Science, Biological and Environmental Research, as part of the Atmospheric System Research (ASR) Program and used data from the ARM Climate Research Facility, which is a DOE Office of Science user facility. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under Contract DE-AC06-76RLO 1830. NR 59 TC 0 Z9 0 U1 0 U2 11 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1558-8424 EI 1558-8432 J9 J APPL METEOROL CLIM JI J. Appl. Meteorol. Climatol. PD JUN PY 2015 VL 54 IS 6 BP 1297 EP 1312 DI 10.1175/JAMC-D-14-0288.1 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CK6VY UT WOS:000356367900012 ER PT J AU White, AD Dama, JF Voth, GA AF White, Andrew D. Dama, James F. Voth, Gregory A. TI Designing Free Energy Surfaces That Match Experimental Data with Metadynamics SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID SELF-DIFFUSION COEFFICIENT; PAIR CORRELATION-FUNCTIONS; X-RAY CRYSTALLOGRAPHY; MOLECULAR-DYNAMICS; CRYOELECTRON MICROSCOPY; SIMULATIONS; ELECTROLYTE; TRANSITIONS; REFINEMENT; ENSEMBLES AB Creating models that are consistent with experimental data is essential in molecular modeling. This is often done by iteratively tuning the molecular force field of a simulation to match experimental data. An alternative method is to bias a simulation, leading to a hybrid model composed cif the original force field and biasing terms. We previously introduced such a method called experiment directed simulation (EDS). EDS minimally biases simulations to match average values. In this work, we introduce a new method called experiment directed metadynamics (EDM) that creates minimal biases for matching entire free energy surfaces such as radial distribution functions and phi/psi angle free energies. It is also possible with EDM to create a tunable mixture of the experimental data and free energy of the unbiased ensemble with explicit ratios. EDM can be proven to be convergent, and we also present proof, via a maximum entropy argument, that the final bias is minimal and unique. Examples of its use are given in the construction of ensembles that follow a desired free energy. The example systems studied include a Lennard-Jones fluid made to match a radial distribution function, an atomistic model augmented with bioinformatics data, and a three-component electrolyte solution where ab initio simulation data is used to improve a classical empirical model. C1 [Voth, Gregory A.] Univ Chicago, James Franck Inst, Dept Chem, Inst Biophys Dynam, Chicago, IL 60637 USA. Univ Chicago, Computat Inst, Chicago, IL 60637 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Div Theoret, Los Alamos, NM 87545 USA. RP Voth, GA (reprint author), Univ Chicago, James Franck Inst, Dept Chem, Inst Biophys Dynam, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM gavoth@uchicago.edu FU Office of Naval Research (ONR) [N00014-13-1-0058]; U.S. Department of Energy through the LANL/LDRD Program; Los Alamos National Laboratory (LANL) Center for Nonlinear Studies (CNLS); University of Chicago Institute for Biophysical Dynamics FX We gratefully acknowledge the Office of Naval Research (ONR award N00014-13-1-0058) and the support of the U.S. Department of Energy through the LANL/LDRD Program for this work. G.A.V. also thanks the Los Alamos National Laboratory (LANL) Center for Nonlinear Studies (CNLS) for a Stanislaw M. Ulam Distinguished Scholar Award in 2014. A.D.W. and J.F.D. were visitors to the CNLS during this period. A.D.W. was supported in part by a Yen Fellowship from the University of Chicago Institute for Biophysical Dynamics. NR 58 TC 10 Z9 10 U1 2 U2 26 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 2015 VL 11 IS 6 BP 2451 EP 2460 DI 10.1021/acs.jctc.5b00178 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CK4NY UT WOS:000356201700007 PM 26575545 ER PT J AU Xu, LT Dunning, TH AF Xu, Lu T. Dunning, Thom H., Jr. TI Generalized Valence Bond Description of the Ground States (X-1 Sigma(+)(g)) of Homonuclear Pnictogen Diatomic Molecules: N-2, P-2, and As-2 SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID CONFIGURATION-INTERACTION CALCULATIONS; GAUSSIAN-BASIS SETS; WAVE-FUNCTIONS; 2 ATOMS; 3 VIEWS; C-2; DIPHOSPHORUS; NITROGEN; ELEMENTS; MODEL AB The ground state, (XEg+)-E-1, of N-2, is a textbook example of a molecule with a triple bond consisting of one sigma and two pi bonds. This assignment, which is usually rationalized using molecular orbital (MO) theory; implicitly assumes that the spins of the three pairs of electrons involved in the bonds are singlet-coupled (perfect pairing). However, for a six-electron singlet state, there are five distinct ways to couple the electron spins. The generalized valence bond (GVB). wave function lifts this restriction, including all of the five spin functions for the six electrons involved in the bond. For N-2, we find that the perfect pairing spin function is indeed dominant at R-e but that it becomes progressively less so from N-2 to P-2 and As-2. Although the perfect pairing spin function is still the most important spin function in P-2, the importance of a quasi-atomic spin function, which singlet couples the spins of the electrons in the sigma orbitals while high spin coupling those of the electrons in the pi orbitals on each center, has significantly increased relative to N-2 and, in As-2, the perfect pairing and quasi-atomic spin couplings are on essentially the same footing. This change in the spin coupling of the electrons in the bonding orbitals down the periodic table may contribute to the rather dramatic decrease in the strengths of the Pn(2) bonds from N-2 to As-2 as Well as in the increase in their chemical reactivity and should be taken into account in more detailed analyses of the bond energies in these species. We also compare the spin coupling in N-2 With that in C-2, where the quasi-atomic spin coupling dominants around R-e. C1 [Xu, Lu T.; Dunning, Thom H., Jr.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. RP Dunning, TH (reprint author), Univ Washington, NIAC, Pacific NW Natl Lab, Sieg Hall,Room 127,3960 Benton Lane NE, Seattle, WA 98195 USA. EM thom.dunning@pnnl.gov FU Distinguished Chair for Research Excellence in Chemistry; National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign FX This work was supported by funding from the Distinguished Chair for Research Excellence in Chemistry and the National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign. NR 54 TC 2 Z9 2 U1 7 U2 10 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 2015 VL 11 IS 6 BP 2496 EP 2507 DI 10.1021/acs.jctc.5b00104 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CK4NY UT WOS:000356201700011 PM 26575549 ER PT J AU Govoni, M Galli, G AF Govoni, Marco Galli, Giulia TI Large Scale GW Calculations SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID SPACE-TIME METHOD; QUASI-PARTICLE CALCULATIONS; BAND-STRUCTURE CALCULATIONS; HYBRID DENSITY FUNCTIONALS; AB-INITIO CALCULATIONS; SELF-ENERGY; DIELECTRIC-CONSTANT; 1ST PRINCIPLES; CARRIER MULTIPLICATION; ELECTRONIC EXCITATIONS AB We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration and do not require the explicit evaluation of virtual electronic states nor the inversion of dielectric matrices. We also present a parallel implementation of the algorithm which takes advantage of separable expressions of both the single particle Green's function and the screened Coulomb interaction. The method can be used starting from density functional theory calculations performed with semilocal or hybrid functionals. We applied the newly developed technique to GW calculations of systems of unprecedented size, including water/semiconductor interfaces with thousands of electrons. C1 [Govoni, Marco; Galli, Giulia] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [Govoni, Marco; Galli, Giulia] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Govoni, M (reprint author), Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. EM mgovoni@uchicago.edu; gagalli@uchicago.edu FU Army Research Laboratory Collaborative Research Alliance in Multiscale Multidisciplinary Modeling of Electronic Materials (CRA-MSME) [W911NF-12-2-0023]; DOE [DE-FG02-06ER46262]; Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357]; U.S. Department of Defense's High Performance Computing Modernization Program FX This work was supported by the Army Research Laboratory Collaborative Research Alliance in Multiscale Multidisciplinary Modeling of Electronic Materials (CRA-MSME, Grant No. W911NF-12-2-0023) and by DOE grant No. DE-FG02-06ER46262; the computational resources were provided by DoD Supercomputing Resource Center of the Department of Defense High Performance Computing Modernization Program. 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 Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357. Discussions with T. A. Pham and J. H. Skone are greatly acknowledged. We thank B. Rice for her help and support with computational grants of the U.S. Department of Defense's High Performance Computing Modernization Program. NR 112 TC 44 Z9 44 U1 11 U2 34 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 2015 VL 11 IS 6 BP 2680 EP 2696 DI 10.1021/ct500958p PG 17 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CK4NY UT WOS:000356201700028 PM 26575564 ER PT J AU Cawkwell, MJ Coe, JD Yadav, SK Liu, XY Niklasson, AMN AF Cawkwell, M. J. Coe, J. D. Yadav, S. K. Liu, X. -Y. Niklasson, A. M. N. TI Extended Lagrangian Formulation of Charge-Constrained Tight-Binding Molecular Dynamics SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID GAUSSIAN-ORBITALS; DENSITY-MATRIX; SIMULATIONS; POTENTIALS; TITANIUM; MODEL AB The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [Niklasson, Phys. Rev. Lett., 2008, 100, 123004] has been applied to a tight-binding model under the constraint of local charge neutrality to yield microcanonical trajectories with both precise, long-term energy conservation and a reduced number of self-consistent field optimizations at each time step. The extended Lagrangian molecular dynamics formalism restores time reversal symmetry in the propagation of the electronic degrees of freedom, and it enables the efficient and accurate self-consistent optimization of the chemical potential and atomwise potential energy shifts in the on-site elements of the tight-binding Hamiltonian that are required when enforcing local charge neutrality. These capabilities are illustrated with microcanonical molecular dynamics simulations of a small metallic cluster using an sd-valent tight-binding model for titanium. The effects of weak dissipation on the propagation of the auxiliary degrees of freedom for the chemical potential and on-site Hamiltonian matrix elements that is used to counteract the accumulation of numerical noise during trajectories was also investigated. C1 [Cawkwell, M. J.; Coe, J. D.; Niklasson, A. M. N.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Yadav, S. K.; Liu, X. -Y.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Cawkwell, MJ (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. EM cawkwell@lanl.gov RI Yadav, Satyesh/M-6588-2014; OI Cawkwell, Marc/0000-0002-8919-3368 FU Laboratory Directed Research and Development program at Los Alamos National Laboratory; United States Department of Energy, Office of Basic Energy Sciences [LANL2014E8AN, 2014LANLE8C4] FX This work was supported by the Laboratory Directed Research and Development program at Los Alamos National Laboratory (M.J.C., J.D.C., and A.M.N.N.) and the United States Department of Energy, Office of Basic Energy Sciences under project FWP# LANL2014E8AN (A.M.N.N.) and core program FWP# 2014LANLE8C4 (M.J.C., S.K.Y., and X.-Y.L.). NR 51 TC 0 Z9 0 U1 1 U2 9 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 2015 VL 11 IS 6 BP 2697 EP 2704 DI 10.1021/acs.jctc.5b00143 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CK4NY UT WOS:000356201700029 PM 26575565 ER PT J AU Marvel, K Zelinka, M Klein, SA Bonfils, C Caldwell, P Doutriaux, C Santer, BD Taylor, KE AF Marvel, Kate Zelinka, Mark Klein, Stephen A. Bonfils, Celine Caldwell, Peter Doutriaux, Charles Santer, Benjamin D. Taylor, Karl E. TI External Influences on Modeled and Observed Cloud Trends SO JOURNAL OF CLIMATE LA English DT Article ID 20TH-CENTURY TEMPERATURE; ATMOSPHERIC CIRCULATION; GENERAL-CIRCULATION; FEEDBACK PROCESSES; CLIMATE-CHANGE; TROPICAL BELT; OCEAN; ISCCP; PACIFIC; CMIP5 AB Understanding the cloud response to external forcing is a major challenge for climate science. This crucial goal is complicated by intermodel differences in simulating present and future cloud cover and by observational uncertainty. This is the first formal detection and attribution study of cloud changes over the satellite era. Presented herein are CMIP5 model-derived fingerprints of externally forced changes to three cloud properties: the latitudes at which the zonally averaged total cloud fraction (CLT) is maximized or minimized, the zonal average CLT at these latitudes, and the height of high clouds at these latitudes. By considering simultaneous changes in all three properties, the authors define a coherent multivariate fingerprint of cloud response to external forcing and use models from phase 5 of CMIP (CMIP5) to calculate the average time to detect these changes. It is found that given perfect satellite cloud observations beginning in 1983, the models indicate that a detectable multivariate signal should have already emerged. A search is then made for signals of external forcing in two observational datasets: ISCCP and PATMOS-x. The datasets are both found to show a poleward migration of the zonal CLT pattern that is incompatible with forced CMIP5 models. Nevertheless, a detectable multivariate signal is predicted by models over the PATMOS-x time period and is indeed present in the dataset. Despite persistent observational uncertainties, these results present a strong case for continued efforts to improve these existing satellite observations, in addition to planning for new missions. C1 [Marvel, Kate; Zelinka, Mark; Klein, Stephen A.; Bonfils, Celine; Caldwell, Peter; Doutriaux, Charles; Santer, Benjamin D.; Taylor, Karl E.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Marvel, Kate] Columbia Univ, NASA Goddard Inst Space Studies, New York, NY 10025 USA. [Marvel, Kate] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10025 USA. RP Marvel, K (reprint author), Columbia Univ, NASA Goddard Inst Space Studies, 2880 Broadway, New York, NY 10025 USA. EM katherine.d.marvel@nasa.gov RI Taylor, Karl/F-7290-2011; Santer, Benjamin/F-9781-2011; Klein, Stephen/H-4337-2016; Zelinka, Mark/C-4627-2011 OI Taylor, Karl/0000-0002-6491-2135; Klein, Stephen/0000-0002-5476-858X; Zelinka, Mark/0000-0002-6570-5445 FU Regional and Global Climate Modeling Program of the U.S. Department of Energy (DOE) Office of Science; DOE Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development award [13-ERD-032]; DOE/OBER Early Career Research Program [SCW1295] FX CMIP5 data processing was enabled by the CDAT analysis package. The EOF analysis was performed using the eofs software package available from http://ajdawson.github.io/eofs/. This work was supported by the Regional and Global Climate Modeling Program of the U.S. Department of Energy (DOE) Office of Science and was performed under the auspices of the DOE Lawrence Livermore National Laboratory (Contract DE-AC52-07NA27344). KM was supported by a Laboratory Directed Research and Development award (13-ERD-032). CB was supported by the DOE/OBER Early Career Research Program Award SCW1295. We acknowledge the World Climate Research Programme's Working Group on Coupled Modelling, which is responsible for CMIP, and we thank the climate modeling groups (listed in Table A1 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. NR 66 TC 3 Z9 3 U1 1 U2 17 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 PY 2015 VL 28 IS 12 BP 4820 EP 4840 DI 10.1175/JCLI-D-14-00734.1 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CK5RR UT WOS:000356283900012 ER PT J AU Kormos, PR McNamara, JP Seyfried, MS Marshall, HP Marks, D Flores, AN AF Kormos, Patrick R. McNamara, James P. Seyfried, Mark S. Marshall, Hans Peter Marks, Danny Flores, Alejandro N. TI Bedrock infiltration estimates from a catchment water storage-based modeling approach in the rain snow transition zone SO JOURNAL OF HYDROLOGY LA English DT Article DE Bedrock infiltration; Deep percolation; Mountain block recharge; Rain snow transition zone; Catchment storage; Soil capacitance ID WESTERN UNITED-STATES; LEAF-AREA INDEX; SOIL-WATER; GROUNDWATER RECHARGE; ENERGY-BALANCE; MOUNTAIN BASIN; STREAMFLOW GENERATION; PRECIPITATION PHASE; RUNOFF GENERATION; DEEP-PERCOLATION AB Estimates of bedrock infiltration from mountain catchments in the western U.S. are essential to water resource managers because they provide an estimate of mountain block recharge to regional aquifers. On smaller scales, bedrock infiltration is an important term in water mass balance studies, which attempt to estimate hydrologic states and fluxes in watersheds with fractured or transmissive bedrock. We estimate the a daily time series of bedrock infiltration in a small catchment in the rain snow transition zone in southwest Idaho, using the difference between measured stream discharge and modeled soil drainage. The accuracy of spatial patterns in soil water storage are optimized, rather than the more common approach of minimizing error in integrated quantities such as streamflow. Bedrock infiltration is estimated to be 289 mm 50 mm for the 2011 water year, which is 34% +/- 12% of the precipitation (95% confidence). Soils on the southwest facing slope drain more often throughout the snow season, but the northeast facing slope contributes more total soil drainage for the water year. Peaks in catchment soil drainage and bedrock infiltration coincide with rain on snow events. Published by Elsevier B.V. C1 [Kormos, Patrick R.; McNamara, James P.; Marshall, Hans Peter; Flores, Alejandro N.] Boise State Univ, Dept Geosci, Boise, ID 83725 USA. [Kormos, Patrick R.; Seyfried, Mark S.; Marks, Danny] US Forest Serv, Rocky Mt Res Stn, Boise, ID 83702 USA. [Kormos, Patrick R.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. [Kormos, Patrick R.] US Agr Res Serv, Northwest Watershed Res Ctr, Boise, ID 83712 USA. RP Kormos, PR (reprint author), Boise State Univ, Dept Geosci, 1910 Univ Dr, Boise, ID 83725 USA. EM patrick.kormos@ars.usda.gov RI McNamara, James/F-1993-2011; OI Kormos, Patrick/0000-0003-1874-9215 FU Northwest Watershed Research Center; Boise State University Department of Geosciences, Student Research Initiative, and Graduate College; NASA EPSCoR [NNX10AN30A]; Inland Northwest Research Alliance (INRA); NSF-CBET [0854553, 08522]; USDA-ARS CRIS Snow and Hydrologic Processes in the Intermountain West [5362-13610-008-00D]; USDA-NRCS Water and Climate Center-Portland, Oregon [5362-13610-008-03R]; NSF-EPS [0919514]; NSF EPSCoR [1329513]; NOAA [NA08NWS4620047] FX We thank Jason Williams and Seth Wenger for assisting in the preparation of this manuscript and Pam Aishlin for field data collection and processing. We thank the students, faculty, and scientists at the Agricultural Research Service, Northwest Watershed Research Center, Forest Service, Rocky Mountain Research Station, Boise Aquatics Science Laboratory, and Boise State University Department of Geosciences for intellectual support. We thank the Northwest Watershed Research Center and Boise State University Department of Geosciences, Student Research Initiative, and Graduate College for funding support, travel support, and general support. NASA EPSCoR and Inland Northwest Research Alliance (INRA) provided funding for this project. The collection and processing of the data presented in this paper were funded in part by NSF-CBET (0854553, 08522), USDA-ARS CRIS Snow and Hydrologic Processes in the Intermountain West (5362-13610-008-00D), USDA-NRCS Water and Climate Center-Portland, Oregon (5362-13610-008-03R), NSF-EPS (0919514), NSF EPSCoR (1329513), NASA EPSCoR award NNX10AN30A, and NOAA (NA08NWS4620047). Any reference to specific equipment types or manufacturers is for information purposes and does not represent a product endorsement or recommendation. Boise State University and the USDA are equal opportunity employers. NR 117 TC 0 Z9 0 U1 3 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-1694 EI 1879-2707 J9 J HYDROL JI J. Hydrol. PD JUN PY 2015 VL 525 BP 231 EP 248 DI 10.1016/j.jhydrol.2015.03.032 PG 18 WC Engineering, Civil; Geosciences, Multidisciplinary; Water Resources SC Engineering; Geology; Water Resources GA CK0HF UT WOS:000355885600019 ER PT J AU Marabini, R Carragher, B Chen, SX Chen, J Cheng, AC Downing, KH Frank, J Grassucci, RA Heymann, JB Jiang, W Jonic, S Liao, HY Ludtke, SJ Patwari, S Piotrowski, AL Quintana, A Sorzano, COS Stahlberg, H Vargas, J Voss, NR Chiu, W Carazo, JM AF Marabini, Roberto Carragher, Bridget Chen, Shaoxia Chen, James Cheng, Anchi Downing, Kenneth H. Frank, Joachim Grassucci, Robert A. Heymann, J. Bernard Jiang, Wen Jonic, Slavica Liao, Hstau Y. Ludtke, Steven J. Patwari, Shail Piotrowski, Angela L. Quintana, Adrian Sorzano, Carlos O. S. Stahlberg, Henning Vargas, Javier Voss, Neil R. Chiu, Wah Carazo, Jose M. TI CTF Challenge: Result summary SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article DE Electron microscopy; Contrast transfer function; High-resolution; Benchmarking; Challenge AB Image formation in bright field electron microscopy can be described with the help of the contrast transfer function (CTF). In this work the authors describe the "CTF Estimation Challenge", called by the Madrid Instruct Image Processing Center (I2PC) in collaboration with the National Center for Macromolecular Imaging (NCMI) at Houston. Correcting for the effects of the CTF requires accurate knowledge of the CTF parameters, but these have often been difficult to determine. In this challenge, researchers have had the opportunity to test their ability in estimating some of the key parameters of the electron microscope CTF on a large micrograph data set produced by well-known laboratories on a wide set of experimental conditions. This work presents the first analysis of the results of the CTF Estimation Challenge, including an assessment of the performance of the different software packages under different conditions, so as to identify those areas of research where further developments would be desirable in order to achieve high-resolution structural information. (C) 2015 Elsevier Inc. All rights reserved. C1 [Marabini, Roberto] Univ Autonoma Madrid, Escuela Politecn Super, E-28049 Madrid, Spain. [Carragher, Bridget; Cheng, Anchi] Scripps Res Inst, Natl Resource Automated Mol Microscopy, La Jolla, CA 92037 USA. [Ludtke, Steven J.; Chiu, Wah] Baylor Coll Med, Houston, TX 77030 USA. [Downing, Kenneth H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Frank, Joachim; Grassucci, Robert A.; Liao, Hstau Y.] Columbia Univ, Howard Hughes Med Inst, New York, NY 10032 USA. [Jiang, Wen] Purdue Univ, Biol Sci, W Lafayette, IN 47907 USA. [Quintana, Adrian; Sorzano, Carlos O. S.; Vargas, Javier; Carazo, Jose M.] CSIC, Natl Biotechnol Ctr, Biocomp Unit, E-28049 Madrid, Spain. [Stahlberg, Henning] Univ Basel, Biozentrum, CH-4058 Basel, Switzerland. [Chen, Shaoxia] MRC LMB, Cambridge CB2 0QH, England. [Jonic, Slavica] Univ Paris 06, Sorbonne Univ, CNRS UMR 7590, IMPMC,MNHN,IRD UMR 206, F-75005 Paris, France. [Patwari, Shail; Piotrowski, Angela L.; Voss, Neil R.] Roosevelt Univ, Dept Biol Chem & Phys Sci, Schaumburg, IL 60173 USA. [Heymann, J. Bernard] NIAMSD, Struct Biol Res Lab, NIH, Bethesda, MD 20892 USA. [Chen, James] MIT, Cambridge, MA 02139 USA. RP Marabini, R (reprint author), Univ Autonoma Madrid, Escuela Politecn Super, E-28049 Madrid, Spain. EM roberto@cnb.csic.es RI Voss, Neil/K-6244-2012; Vargas, Javier/L-5546-2015; S. Sorzano, Carlos Oscar/F-2639-2016; Stahlberg, Henning/H-1868-2011; OI S. Sorzano, Carlos Oscar/0000-0002-9473-283X; Stahlberg, Henning/0000-0002-1185-4592; Jonic, Slavica/0000-0001-5112-2743; Marabini, Roberto/0000-0001-7876-1684 FU Spanish Ministry of Economy and Competitiveness [AIC-A-2011-0638, BIO2013-44647-R, BFU2013-41249-P]; Comunidad de Madrid through grant CAM [S2010/BMD-2305]; NSF [1114901]; NRAMM [GM103310]; Ramon y Cajal fellowship; Juan de la Cierva fellowship [JCI-2011-10185]; Instruct part of the European Strategy Forum on Research Infrastructures (ESFRI) FX The authors would like to acknowledge economical support from the Spanish Ministry of Economy and Competitiveness through grants AIC-A-2011-0638, BIO2013-44647-R and BFU2013-41249-P; the Comunidad de Madrid through grant CAM (S2010/BMD-2305), NSF through Grant 1114901 and NRAMM through grant GM103310. C.O.S. Sorzano is recipient of a Ramon y Cajal fellowship. J. Vargas is recipient of a Juan de la Cierva fellowship with reference JCI-2011-10185. This work was partly funded by Instruct, part of the European Strategy Forum on Research Infrastructures (ESFRI) and supported by national member subscriptions. NR 9 TC 8 Z9 8 U1 2 U2 11 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 EI 1095-8657 J9 J STRUCT BIOL JI J. Struct. Biol. PD JUN PY 2015 VL 190 IS 3 BP 348 EP 359 DI 10.1016/j.jsb.2015.04.003 PG 12 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA CK3KS UT WOS:000356115600009 PM 25913484 ER PT J AU Marincel, DM Zhang, HR Jesse, S Belianinov, A Okatan, MB Kalinin, SV Rainforth, WM Reaney, IM Randall, CA Trolier-McKinstry, S AF Marincel, Daniel M. Zhang, Huairuo Jesse, Stephen Belianinov, Alex Okatan, Mahmut B. Kalinin, Sergei V. Rainforth, W. Mark Reaney, Ian M. Randall, Clive A. Trolier-McKinstry, Susan TI Domain Wall Motion Across Various Grain Boundaries in Ferroelectric Thin Films SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID ZIRCONATE-TITANATE CERAMICS; BARIUM-TITANATE; SINGLE-CRYSTALS; ORIENTATION DEPENDENCE; ELECTRICAL-PROPERTIES; X-RAY; BATIO3; ENERGY; SIZE; TEMPERATURE AB Domain wall movement at and near engineered 10 degrees, 15 degrees, and 24 degrees tilt and 10 degrees and 30 degrees twist grain boundaries was measured by band excitation piezoresponse force microscopy for Pb(Zr,Ti)O-3 films with Zr/Ti ratio of 45/55 and 52/48. A minimum in nonlinear response was observed at the grain boundary for the highest angle twist and tilt grain boundaries, while a maximum in nonlinear response was observed at the 10 degrees tilt grain boundaries. The observed nonlinear response was correlated with the domain configurations imaged in cross section by transmission electron microscopy. C1 [Marincel, Daniel M.; Randall, Clive A.; Trolier-McKinstry, Susan] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Marincel, Daniel M.; Randall, Clive A.; Trolier-McKinstry, Susan] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. [Zhang, Huairuo; Rainforth, W. Mark; Reaney, Ian M.] Univ Sheffield, Dept Mat Sci & Engn, Sheffield S1 3JD, S Yorkshire, England. [Jesse, Stephen; Belianinov, Alex; Okatan, Mahmut B.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Marincel, DM (reprint author), Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. EM dmm5704@psu.edu; STMcKinstry@psu.edu RI Zhang, Huairuo/M-9428-2014; Kalinin, Sergei/I-9096-2012; Jesse, Stephen/D-3975-2016; Okatan, M. Baris/E-1913-2016; OI Zhang, Huairuo/0000-0002-1984-1200; Rainforth, William/0000-0003-3898-0318; Kalinin, Sergei/0000-0001-5354-6152; Jesse, Stephen/0000-0002-1168-8483; Okatan, M. Baris/0000-0002-9421-7846; Trolier-McKinstry, Susan/0000-0002-7267-9281; Randall, Clive/0000-0002-5478-2699 FU National Science Foundation [DMR-1005771]; CNMS [CNMS2011-022, CNMS2011-223, CNMS2013-127]; Engineering and Physical Sciences Research Council [EP/I038934/1]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX Support for this work was provided in part by the National Science Foundation grant no. DMR-1005771 and by CNMS user Proposal Nos. CNMS2011-022, CNMS2011-223, and CNMS2013-127 (DMM and STM). HRZ, IR, and IMR would like to acknowledge funding from the Engineering and Physical Sciences Research Council EP/I038934/1. 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 50 TC 5 Z9 5 U1 6 U2 44 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 2015 VL 98 IS 6 BP 1848 EP 1857 DI 10.1111/jace.13535 PG 10 WC Materials Science, Ceramics SC Materials Science GA CK0FQ UT WOS:000355881300026 ER PT J AU Hendley, CT Tao, JH Kunitake, JAMR De Yoreo, JJ Estroff, LA AF Hendley, Coit T. Tao, Jinhui Kunitake, Jennie A. M. R. De Yoreo, James J. Estroff, Lara A. TI Microscopy techniques for investigating the control of organic constituents on biomineralization SO MRS BULLETIN LA English DT Article ID ATOMIC-FORCE MICROSCOPY; AMORPHOUS CALCIUM-CARBONATE; SITU ELECTRON-MICROSCOPY; IN-SITU; MINERAL DEPOSITION; CRYSTAL-GROWTH; PROBE TOMOGRAPHY; CRYO-TEM; MATRIX PROTEINS; SINGLE-CRYSTALS AB This article addresses recent advances in the application of microscopy techniques to characterize crystallization processes as they relate to biomineralization and bioinspired materials synthesis. In particular, we focus on studies aimed at revealing the role organic macromolecules and functionalized surfaces play in modulating the mechanisms of nucleation and growth. In nucleation studies, we explore the use of methods such as in situ transmission electron microscopy, atomic force microscopy, and cryogenic electron microscopy to delineate formation pathways, phase stabilization, and the competing effects of free energy and kinetic barriers. In growth studies, we emphasize understanding the interactions of macromolecular constituents with growing crystals and characterization of the internal structures of the resulting composite crystals using techniques such as electron tomography, atom probe tomography, and vibrational spectromicroscopy. Examples are drawn from both biological and bioinspired synthetic systems. C1 [Hendley, Coit T.; Kunitake, Jennie A. M. R.; Estroff, Lara A.] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA. [Tao, Jinhui] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. [De Yoreo, James J.] Washington Univ, Pacific NW Natl Lab, Div Phys Sci, St Louis, MO 63130 USA. [De Yoreo, James J.] Washington Univ, Dept Mat Sci & Engn, St Louis, MO 63130 USA. [De Yoreo, James J.] Washington Univ, Dept Chem, St Louis, MO 63130 USA. RP Hendley, CT (reprint author), Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA. EM cth34@cornell.edu; jinhui.tao@pnnl.gov; jar566@cornell.edu; james.deyoreo@pnnl.gov; lae37@cornell.edu OI Estroff, Lara/0000-0002-7658-1265 FU National Science Foundation [DMR 1210304]; National Institutes of Health [CA173083]; US Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering; Laboratory Directed Research and Development Initiative on Materials Synthesis and Simulation across Scales at the Pacific Northwest National Laboratory (PNNL); US Department of Energy [DE-AC05-76RL01830] FX The authors acknowledge support from the National Science Foundation (DMR 1210304) and the National Institutes of Health (CA173083). J.J.D.Y. and J.T. acknowledge support from the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering J.J.D.Y also acknowledges support from the Laboratory Directed Research and Development Initiative on Materials Synthesis and Simulation across Scales at the Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the US Department of Energy under Contract DE-AC05-76RL01830. NR 107 TC 5 Z9 5 U1 6 U2 71 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 2015 VL 40 IS 6 BP 480 EP 489 DI 10.1557/mrs.2015.98 PG 10 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CK0DY UT WOS:000355876800010 PM 27358507 ER PT J AU Cohen, ML AF Cohen, Marvin L. TI Explaining and predicting the properties of materials using quantum theory SO MRS BULLETIN LA English DT Article ID BORON-NITRIDE NANOTUBES; WAVE-FUNCTIONS; SI; SUPERCONDUCTIVITY; SEMICONDUCTORS; DIAMOND; SOLIDS AB It has been about a hundred years since the atomic nature of matter began to be generally accepted. By the late 1920s, atomic theory was well established, and quantum theory had explained many properties of atoms in gases. The interpretation of the sharp lines in atomic optical spectra could be explained in terms of transitions between electronic energy levels. The application of interacting atoms in solids appeared straightforward in principle, and although quantum theory answered many fundamental questions about condensed matter, theoretical applications were mostly appropriate for idealized models of solids. Because the optical spectra of solids had broad structure, explaining their origin in terms of electronic transitions was more difficult than for the case of atoms. It was not until the 1960s that accurate electronic band structures could be calculated for bulk materials. Basic and applied research involving semiconductors, superconductors, and nanostructured materials has guided the application of quantum theory to condensed matter. These are areas where the use of quantum theory has been central in explaining and predicting properties and has even led to the discovery of new materials. C1 [Cohen, Marvin L.] Univ Calif Berkeley, Phys, Berkeley, CA 94720 USA. [Cohen, Marvin L.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Cohen, ML (reprint author), Univ Calif Berkeley, Phys, Berkeley, CA 94720 USA. EM mlcohen@berkeley.edu FU NSF [DMR-10-1006184]; Lawrence Berkeley National Laboratory through the Office of Basic Science, US Department of Energy [DE-AC02-05CH11231] FX Over the past 50 years, the author has had the joy of working with outstanding students, postdoctoral researchers, and visitors from around the world and thinks it is wonderful to be able to work with people on the topics that he believes in. The author acknowledges support from NSF Grant No. DMR-10-1006184, and the theory program at the Lawrence Berkeley National Laboratory through the Office of Basic Science, US Department of Energy under Contract No. DE-AC02-05CH11231. NR 29 TC 1 Z9 1 U1 2 U2 16 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 2015 VL 40 IS 6 BP 516 EP 524 DI 10.1557/mrs.2015.119 PG 9 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CK0DY UT WOS:000355876800014 ER PT J AU Yang, J Greenwood, MS De Angelis, M Avery, M Anderson, M Corradini, M Matos, J Dunn, F Feldman, E AF Yang, Jun Greenwood, Michael Scott De Angelis, Matthew Avery, Michael Anderson, Mark Corradini, Michael Matos, James Dunn, Floyd Feldman, Earl TI Study of Critical Heat Flux in Natural Convection-Cooled TRIGA Reactors with Single Annulus and Rod Bundle Geometries SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article ID LOW-FLOW CONDITIONS; VERTICAL ANNULUS; LOW-PRESSURE; WATER; TUBES; CHF AB A critical heat flux (CHF) experimental study at low pressure and natural convection condition has been conducted. The test apparatus is a natural. circulation loop with an upward flow channel, simulating TRIGA (Training, Research, Isotopes, General Atomics) reactors. CHF is studied in three types of geometries: a single-rod annulus, a three-rod bundle in a trefoil tube, and a four-rod bundle in a square tube. The full-scale fuel pin heater rod is electrically heated with a prototypic axial power profile, equipped with thermocouples for CHF detection. Experiments are carried out at the following conditions: inlet subcooling from 10 to 70 K, pressure from 110 to 290 kPa, and mass flux from 0 to 400 kg/m(2).s. It is observed that CHF increases as the pressure or mass flux increases but does not significantly depend on the inlet subcooling within the testing range. The current CHF data are compared with a few selected CHF correlations whose application ranges are close to the testing conditions. The relevance of the CHF to the testing parameters is investigated. A modified CHF correlation compatible with TRIGA reactor conditions is proposed based on a previous correlation and current experimental data. C1 [Yang, Jun; Greenwood, Michael Scott; De Angelis, Matthew; Avery, Michael; Anderson, Mark; Corradini, Michael] Univ Wisconsin, Madison, WI 53706 USA. [Matos, James; Dunn, Floyd; Feldman, Earl] Argonne Natl Lab, Argonne, IL 60439 USA. RP Yang, J (reprint author), OHSA C03, CH-5232 Villigen, Switzerland. EM toyangjun@gmail.com FU U. S. Department of Energy National Nuclear Security Administration [DE-AC02-06CH11357]; U. S. Department of Energy National Nuclear Security Administration (University of Wisconsin-Argonne National Laboratory) [9F-31801] FX The authors would like to express appreciation to the sponsorship of U. S. Department of Energy National Nuclear Security Administration for this research (contract DE-AC02-06CH11357, University of Wisconsin-Argonne National Laboratory contract 9F-31801). NR 24 TC 0 Z9 0 U1 1 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5639 EI 1943-748X J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD JUN PY 2015 VL 180 IS 2 BP 141 EP 153 PG 13 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CK2FU UT WOS:000356027000002 ER PT J AU Guillen, DP AF Guillen, Donna Post TI THERMAL EVALUATION OF ALTERNATE SHIPPING CASK FOR IRRADIATED EXPERIMENTS SO NUCLEAR TECHNOLOGY LA English DT Article; Proceedings Paper CT International Topical Meeting on Advances in Thermal Hydraulics CY JUN 15-19, 2014 CL Reno, NV DE thermal analysis; shipping cask; vacuum drying ID AIR AB Results of a thermal evaluation are provided for a new shipping cask under consideration for transporting irradiated experiments between the test reactor and postirradiation examination (PIE) facilities. Most of the experiments will be irradiated in the Advanced Test Reactor (ATR) at Idaho National Laboratory and then later shipped to the Hot Fuel Examination Facility located at the Materials and Fuels Complex for PIE. To date, the General Electric (GE)-2000 cask has been used to transport experiment payloads between these facilities. However, the availability of the GE-2000 cask to support future experiment shipping is uncertain. In addition, the internal cavity of the GE-2000 cask is too short to accommodate shipping the larger payloads. Therefore, an alternate shipping capability is being pursued. The Battelle Energy Alliance, LLC, Research Reactor (BRR) cask has been determined to be the best alternative to the GE-2000 cask. An evaluation of the thermal performance of the BRR cask is necessary before proceeding with fabrication of the newly designed cask hardware and the development of handling, shipping, and transport procedures. This paper presents the results of the thermal evaluation of the BRR cask loaded with a representative set of fueled and nonfueled payloads. When analyzed with identical payloads, experiment temperatures were found to be lower with the BRR cask than with the GE-2000 cask. From a thermal standpoint, the BRR cask was found to be a suitable alternate to the GE-2000 cask for shipping irradiated experiment payloads. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Guillen, DP (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Donna.Guillen@inl.gov RI Guillen, Donna/B-9681-2017 OI Guillen, Donna/0000-0002-7718-4608 FU U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office [DE-AC07-05ID14517] FX This work was supported by the U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office contract DE-AC07-05ID14517. The author wishes to acknowledge G. Roth, who performed the thermal analysis for the GE-2000 cask and technical checking of the BRR cask analysis. NR 24 TC 0 Z9 0 U1 1 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD JUN PY 2015 VL 190 IS 3 BP 236 EP 244 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CK2FN UT WOS:000356026300004 ER PT J AU Hawkes, GL Sterbentz, JW Pham, B AF Hawkes, Grant L. Sterbentz, James W. Binh Pham TI THERMAL PREDICTIONS OF THE AGR-2 EXPERIMENT WITH VARIABLE GAS GAPS SO NUCLEAR TECHNOLOGY LA English DT Article; Proceedings Paper CT International Topical Meeting on Advances in Thermal Hydraulics CY JUN 15-19, 2014 CL Reno, NV DE AGR-2; TRISO fuel; variable gas gaps AB A new daily as-run thermal analysis was performed at the Idaho National Laboratory for the advanced gas cooled reactor (AGR) test experiment number two (AGR-2) in the Advanced Test Reactor (ATR). This thermal analysis incorporates gas gaps changing with time during the irradiation experiment due to graphite shrinkage resulting from neutron damage. The purpose of this analysis was to calculate the daily average temperatures of each TRISO (tristructural isotropic)-particle fuel compact. A steady-state thermal analysis was performed daily for each capsule with the commercial finite element heat transfer code ABAQUS. These new thermal predictions show the compact fuel temperature dependence on the variable gas gap method. Comparison between measured and calculated temperatures is discussed. C1 [Hawkes, Grant L.; Sterbentz, James W.; Binh Pham] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Hawkes, GL (reprint author), Idaho Natl Lab, 2525 Fremont,Mailstop 3870, Idaho Falls, ID 83415 USA. EM Grant.Hawkes@inl.gov OI Hawkes, Grant/0000-0003-3496-8100 FU U.S. Department of Energy, NGNP Program, Idaho Operations Office [DE-AC07-05ID14517] FX This work is supported by the U.S. Department of Energy, NGNP Program, Idaho Operations Office contract DE-AC07-05ID14517. NR 11 TC 0 Z9 0 U1 0 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD JUN PY 2015 VL 190 IS 3 BP 245 EP 253 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CK2FN UT WOS:000356026300005 ER PT J AU Lee, SY Hamm, LL Smith, FG AF Lee, Si Y. Hamm, L. Larry Smith, Frank G., III TI NATURAL CIRCULATION IN HEAT REMOVAL SYSTEM DURING LOSS-OF-FLOW ACCIDENT BASED ON INITIAL CONCEPTUAL DESIGN SO NUCLEAR TECHNOLOGY LA English DT Article; Proceedings Paper CT International Topical Meeting on Advances in Thermal Hydraulics CY JUN 15-19, 2014 CL Reno, NV DE natural circulation cooling model; loss-of-flow accident; decay heat cooling AB It has been proposed to build an accelerator for the production of tritium. A transient natural convection model of the accelerator blanket primary heat removal (HR) system was developed to demonstrate that the blanket could be cooled for a sufficient period of time for long-term cooling to be established following a loss-of-flow accident (LOFA). The particular case of interest in this work is a complete LOFA. For the accident scenario in which pumps are lost in both the target and blanket HR systems, natural convection provides effective cooling of the blanket for similar to 68 h, and if only the blanket HR systems are involved, natural convection is effective for similar to 210 h. The heat sink for both of these accident scenarios is the assumed stagnant fluid and metal on the secondary sides of the heat exchangers. C1 [Lee, Si Y.; Hamm, L. Larry; Smith, Frank G., III] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Lee, SY (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM si.lee@srnl.doe.gov NR 3 TC 0 Z9 0 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD JUN PY 2015 VL 190 IS 3 BP 254 EP 263 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CK2FN UT WOS:000356026300006 ER PT J AU Hu, R AF Hu, Rui TI AN ADVANCED ONE-DIMENSIONAL FINITE ELEMENT MODEL FOR INCOMPRESSIBLE THERMALLY EXPANDABLE FLOW SO NUCLEAR TECHNOLOGY LA English DT Article; Proceedings Paper CT International Topical Meeting on Advances in Thermal Hydraulics CY JUN 15-19, 2014 CL Reno, NV DE finite element model; stabilization; system thermal hydraulics ID FORMULATIONS; EQUATIONS AB This paper provides an overview of a new one-dimensional finite element flow model for incompressible but thermally expandable flow. The flow model was developed for use in system analysis tools for whole-plant safety analysis of sodium fast reactors. Although the pressure-based formulation was implemented, the use of integral equations in the conservative form ensured the conservation laws of the fluid. A stabilization scheme based on streamline-upwind/Petrov-Galerkin and pressure-stabilizing/Petrov-Galerkin formulations is also introduced. The flow model and its implementation have been verified by many test problems, including density wave propagation, steep gradient problems, discharging between tanks, and the conjugate heat transfer in a heat exchanger. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Hu, R (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rhu@anl.gov OI Hu, Rui/0000-0002-3771-2920 FU DOE-NE's NEAMS program; DOE Office of Science laboratory [DE-AC02-06CH11357] FX This work is supported by the DOE-NE's NEAMS program. The submitted manuscript has been created by UChicago Argonne, LLC, operator of ANL, which is a DOE Office of Science laboratory operated under contract DE-AC02-06CH11357. NR 11 TC 2 Z9 2 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD JUN PY 2015 VL 190 IS 3 BP 313 EP 322 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CK2FN UT WOS:000356026300011 ER PT J AU Wysocki, A Ward, A Manera, A Downar, T Xu, Y March-Leuba, J Thurston, C Hudson, N Ireland, A AF Wysocki, A. Ward, A. Manera, A. Downar, T. Xu, Y. March-Leuba, J. Thurston, C. Hudson, N. Ireland, A. TI THE MODELING OF ADVANCED BWR FUEL DESIGNS WITH THE NRC FUEL DEPLETION CODES PARCS/PATHS SO NUCLEAR TECHNOLOGY LA English DT Article; Proceedings Paper CT International Topical Meeting on Advances in Thermal Hydraulics CY JUN 15-19, 2014 CL Reno, NV DE BWR; thermal hydraulics; depletion AB The PATHS (PARCS Advanced Thermal Hydraulic Solver) code was developed at the University of Michigan in support of U.S. Nuclear Regulatory Commission research to solve the steady-state, two-phase, thermal-hydraulic equations for a boiling water reactor (BWR) and to provide thermal-hydraulic feedback for BWR depletion calculations with the neutronics code PARCS (Purdue Advanced Reactor Core Simulator). The simplified solution methodology, including a three-equation drift flux formulation and an optimized iteration scheme, yields very fast run times in comparison to conventional thermal-hydraulic systems codes used in the industry, while still retaining sufficient accuracy for applications such as BWR depletion calculations. The capability to model advanced BWR fuel designs with part-length fuel rods and heterogeneous axial channel flow geometry has been implemented in PATHS, and the code has been validated against previously benchmarked advanced core simulators as well as BWR plant and experimental data. The modifications to the codes and the results of the validation are described in this paper. C1 [Wysocki, A.; Ward, A.; Manera, A.; Downar, T.; Xu, Y.] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. [March-Leuba, J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Thurston, C.; Hudson, N.; Ireland, A.] US Nucl Regulatory Commiss, Off Nucl Regulatory Res, Washington, DC 20555 USA. RP Wysocki, A (reprint author), Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. EM awysock@umich.edu OI Wysocki, Aaron/0000-0002-2204-3779 FU NRC [NRC-04-10-149, NRC-HQ-60-13-D-0018, V6445/F6041] FX This work was supported by NRC under contract numbers NRC-04-10-149 and NRC-HQ-60-13-D-0018 (job code number V6445/F6041). NR 14 TC 0 Z9 0 U1 0 U2 0 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD JUN PY 2015 VL 190 IS 3 BP 323 EP 335 PG 13 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CK2FN UT WOS:000356026300012 ER PT J AU Varley, JB Conway, AM Voss, LF Swanberg, E Graff, RT Nikolic, RJ Payne, SA Lordi, V Nelson, AJ AF Varley, J. B. Conway, A. M. Voss, L. F. Swanberg, E. Graff, R. T. Nikolic, R. J. Payne, S. A. Lordi, V. Nelson, A. J. TI Effect of chlorination on the TlBr band edges for improved room temperature radiation detectors SO PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS LA English DT Article DE density functional theory; radiation detector; surface treatment; thallium halide; X-ray photoemission spectroscopy ID TOTAL-ENERGY CALCULATIONS; GAMMA-RAY SPECTROMETERS; QUASI-RANDOM STRUCTURES; WAVE BASIS-SET; PHOTOELECTRON-SPECTROSCOPY; UNIVERSAL ALIGNMENT; SENSING TECHNIQUE; HYDROGEN LEVELS; THALLIUM; SEMICONDUCTORS AB Thallium bromide (TlBr) crystals subjected to hydrochloric acid (HCl) chemical treatments have been shown to advantageously affect device performance and longevity in TlBr-based room temperature radiation detectors, yet the exact mechanisms of the improvements remain poorly understood. Here, we investigate the influence of several HCl chemical treatments on device-grade TlBr and describe the changes in the composition and electronic structure of the surface. Composition analysis and depth profiles obtained from secondary ion mass spectrometry (SIMS) identify the extent to which each HCl etch condition affects the detector surface region and forms of a graded TlBr/TlBr1-xClx surface heterojunction. Using a combination of X-ray photoemission spectroscopy (XPS) and hybrid density functional calculations, we are able to determine the valence band offsets, band gaps, and conduction band offsets as a function of Cl content over the entire composition range of TlBr1-xClx. This study establishes a strong correlation between device process conditions, surface chemistry, and electronic structure with the goal of further optimizing the long-term stability and radiation response of TlBr-based detectors. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Varley, J. B.; Conway, A. M.; Voss, L. F.; Swanberg, E.; Graff, R. T.; Nikolic, R. J.; Payne, S. A.; Lordi, V.; Nelson, A. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Varley, JB (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM varley2@llnl.gov OI Lordi, Vincenzo/0000-0003-2415-4656 FU US Department of Homeland Security, Domestic Nuclear Detection Office [IAA HSHQDC-12-X-00342]; US Department of Energy, National Nuclear Security Administration Office of Defense Nuclear Nonproliferation (DNN) Research and Development PDP WMS Team; U.S. DOE by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work has been supported by the US Department of Homeland Security, Domestic Nuclear Detection Office, under competitively awarded IAA HSHQDC-12-X-00342. This support does not constitute an express or implied endorsement on the part of the Government. J.B.V. and V.L. were supported by the US Department of Energy, National Nuclear Security Administration Office of Defense Nuclear Nonproliferation (DNN) Research and Development PDP WMS Team. The TlBr crystals were provided by N. Kim, L. Cirigano and K. Shah of Radiation Monitoring Devices, Inc. This work was performed under the auspices of the U.S. DOE by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 35 TC 0 Z9 0 U1 1 U2 13 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0370-1972 EI 1521-3951 J9 PHYS STATUS SOLIDI B JI Phys. Status Solidi B-Basic Solid State Phys. PD JUN PY 2015 VL 252 IS 6 BP 1266 EP 1271 DI 10.1002/pssb.201451662 PG 6 WC Physics, Condensed Matter SC Physics GA CJ8MO UT WOS:000355756200011 ER PT J AU Frantti, J Fujioka, Y Zhang, J Zhu, J Vogel, SC AF Frantti, J. Fujioka, Y. Zhang, J. Zhu, J. Vogel, S. C. TI Neutron powder diffraction study of Pb[Zr-x(Fe2/3W1/3)(1-x)]O-3 solid solutions SO PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS LA English DT Article DE ferroelectric oxides; magnetic oxides; neutron powder diffraction; spontaneous magnetostriction; susceptibility ID MAGNETIC-PROPERTIES; PEROVSKITE PBVO3; SINGLE-CRYSTALS; RELAXOR; TRANSITION; STATE; PB(FE2/3W1/3)O-3; DIFFRACTOMETER; FERROMAGNETISM; CERAMICS AB This study presents the structural and magnetic properties of solid solutions Pb[Zr-x(Fe2/3W1/3)(1-x)]O-3 (PZFW), with x=0.35 and 0.60. The focus is on the study of magnetic ordering and the co-existing electrical dipole moments as a function of temperature. Neutron powder diffraction (NPD) measurements showed that both samples possess a pseudo-cubic structure. A G-type antiferromagnetic (AFM) order onsets at around 150K in PZFW with x=0.35, accompanied by a broad hump in the magnetization, magnetic peak width determined from the NPD patterns, and thermal expansion versus temperature curve, which indicate a diffusive phase transition. Weak anomalous thermal expansion was assigned to the spontaneous magnetostriction. A susceptibility cusp characteristic to an AFM ordering was observed at 15K though no evident change was observed in the NPD patterns at 12K. The magnetic behavior is assigned to different size clusters: with decreasing temperature a larger fraction of the material becomes magnetically ordered. Remnant magnetization was observed in PZFW with x=0.35 at 2K. No magnetic reflections were seen in PZFW with x=0.60 down to 12K. Magnetometer measurements revealed a weak AFM cusp at 8K, confirmed by hysteresis loop measurements. The off-center Pb-displacements and the oxygen octahedra displacement along the cubic axis with respect to the B-cations generate an electric dipole moment. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Frantti, J.; Fujioka, Y.] Finnish Res & Engn, Helsinki 00180, Finland. [Zhang, J.; Zhu, J.; Vogel, S. C.] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. RP Frantti, J (reprint author), Finnish Res & Engn, Jaalaranta 9 B 42, Helsinki 00180, Finland. EM johannes.frantti@fre.fi OI Zhang, Jianzhong/0000-0001-5508-1782 NR 41 TC 0 Z9 0 U1 2 U2 10 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0370-1972 EI 1521-3951 J9 PHYS STATUS SOLIDI B JI Phys. Status Solidi B-Basic Solid State Phys. PD JUN PY 2015 VL 252 IS 6 BP 1280 EP 1290 DI 10.1002/pssb.201451421 PG 11 WC Physics, Condensed Matter SC Physics GA CJ8MO UT WOS:000355756200013 ER PT J AU Collins-McIntyre, LJ Wang, W Zhou, B Speller, SC Chen, YL Hesjedal, T AF Collins-McIntyre, L. J. Wang, W. Zhou, B. Speller, S. C. Chen, Y. L. Hesjedal, T. TI Growth of Bi2Se3 and Bi2Te3 on amorphous fused silica by MBE SO PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS LA English DT Article DE bismuth selenides; bismuth tellurides; molecular beam epitaxy; thin films; topological insulators ID 3-DIMENSIONAL TOPOLOGICAL INSULATOR; THIN-FILMS; SUBSTRATE; SURFACE; SIO2 AB Topological insulator (TI) thin films of Bi2Se3 and Bi2Te3 have been successfully grown on amorphous fused silica (vitreous SiO2) substrates by molecular beam epitaxy. We find that such growth is possible and investigations by X-ray diffraction reveal good crystalline quality with a high degree of order along the c-axis. Atomic force microscopy, electron backscatter diffraction and X-ray reflectivity are used to study the surface morphology and structural film parameters. Angle-resolved photoemission spectroscopy studies confirm the existence of a topological surface state. This work shows that TI films can be grown on amorphous substrates, while maintaining the topological surface state despite the lack of in-plane rotational order of the domains. The growth on fused silica presents a promising route to detailed thermoelectric measurements of TI films, free from unwanted thermal, electrical, and piezoelectric influences from the substrate. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Collins-McIntyre, L. J.; Wang, W.; Chen, Y. L.; Hesjedal, T.] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [Wang, W.] Univ Sci & Technol China, Sch Phys Sci, Hefei 230026, Peoples R China. [Zhou, B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Zhou, B.] Stanford Univ, Stanford Inst Mat & Energy Sci, Stanford, CA 94305 USA. [Zhou, B.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Speller, S. C.] Univ Oxford, Dept Mat, Oxford OX1 3PH, England. RP Hesjedal, T (reprint author), Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. EM thorsten.hesjedal@physics.ox.ac.uk RI Hesjedal, Thorsten/C-6853-2014; OI Hesjedal, Thorsten/0000-0001-7947-3692; Collins-McIntyre, Liam/0000-0002-9397-1986 FU John Fell Oxford University Press (OUP) Research Fund; EPSRC (UK) FX This publication arises from research funded by the John Fell Oxford University Press (OUP) Research Fund and RCaH is acknowledged for their hospitality. The authors thank Diamond Light Source for access to the Surfaces and Interfaces Laboratory facilities. The Advanced Light Source is acknowledged for beamtime on beamline 10.0.1. L.C.M. acknowledges partial support by the EPSRC (UK). NR 35 TC 3 Z9 3 U1 11 U2 50 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0370-1972 EI 1521-3951 J9 PHYS STATUS SOLIDI B JI Phys. Status Solidi B-Basic Solid State Phys. PD JUN PY 2015 VL 252 IS 6 BP 1334 EP 1338 DI 10.1002/pssb.201552003 PG 5 WC Physics, Condensed Matter SC Physics GA CJ8MO UT WOS:000355756200020 ER PT J AU Jordan, BW Eggert, RG Dixon, BW Carlsen, BW AF Jordan, Brett W. Eggert, Roderick G. Dixon, Brent W. Carlsen, Brett W. TI Thorium: Crustal abundance, joint production, and economic availability SO RESOURCES POLICY LA English DT Article DE Availability; Thorium; Joint production; Cumulative availability curve; Mine cost curve AB Recently, interest in thorium's potential use in a nuclear fuel cycle has been renewed. Thorium is more abundant, at least on average, than uranium in the earth's crust and, therefore, could theoretically extend the use of nuclear energy technology beyond the economic limits of uranium resources. This paper provides an economic assessment of thorium availability by creating cumulative-availability and potential mining-industry cost curves, based on known thorium resources. These tools provide two perspectives on the economic availability of thorium. In the long term, physical quantities of thorium likely will not be a constraint on the development of a thorium fuel cycle. In the medium term, however, thorium supply may be limited by constraints associated with its production as a by-product of rare earth elements and heavy mineral sands. Environmental concerns, social issues, regulation, and technology also present issues for the medium and long term supply of thorium. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Jordan, Brett W.; Eggert, Roderick G.] Colorado Sch Mines, Golden, CO 80401 USA. [Dixon, Brent W.; Carlsen, Brett W.] Idaho Natl Lab, Idaho Falls, ID USA. RP Jordan, BW (reprint author), Colorado Sch Mines, 816 15th St, Golden, CO 80401 USA. EM brjordan@mines.edu OI Jordan, Brett/0000-0002-2935-5708 FU US Department of Energy FX We gratefully acknowledge the financial support from the US Department of Energy for project funding. We would like to thank Bradley Van Gosen of the USGS for his help and insight in preparing this paper as well as comments from John Tilton of the Colorado School of Mines and those of an anonymous reviewer. All errors however, are our own. NR 25 TC 1 Z9 1 U1 6 U2 22 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4207 EI 1873-7641 J9 RESOUR POLICY JI Resour. Policy PD JUN PY 2015 VL 44 BP 81 EP 93 DI 10.1016/j.resourpol.2015.02.002 PG 13 WC Environmental Studies SC Environmental Sciences & Ecology GA CJ7UW UT WOS:000355706800010 ER PT J AU Shade, A Gilbert, JA AF Shade, Ashley Gilbert, Jack A. TI Temporal patterns of rarity provide a more complete view of microbial diversity SO TRENDS IN MICROBIOLOGY LA English DT Review DE rare biosphere; time series; next-generation sequencing; microbial communities; ecology ID SPECIES ABUNDANCE DISTRIBUTIONS; RARE BIOSPHERE; DARK-MATTER; COMMUNITIES; BACTERIAL; DYNAMICS; ECOLOGY; COMMON AB Recently, conditionally rare taxa (CRTs) those taxa that are typically in very low abundance but occasionally achieve prevalence were shown to contribute to patterns of microbial diversity because their collective dynamics explained a large proportion of temporal variability in microbial community structure. Here the benefits and challenges of characterizing the presence and interpreting the role of CRTs are further explored, along with questions about CRT ecology. We also introduce a conceptual model for thinking about microbial taxa as dynamic components along the dimensions of occurrence and abundance. Accounting for CRTs in interpretations of microbial ecological dynamics is essential if we are to understand community stability and ecoevolutionary interactions. C1 [Shade, Ashley] Michigan State Univ, Dept Microbiol & Mol Genet, E Lansing, MI 48824 USA. [Gilbert, Jack A.] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Gilbert, Jack A.] Marine Biol Lab, Woods Hole, MA 02543 USA. [Gilbert, Jack A.] Zhejiang Univ, Coll Environm & Resource Sci, Hangzhou 310058, Zhejiang, Peoples R China. RP Shade, A (reprint author), Michigan State Univ, Dept Microbiol & Mol Genet, E Lansing, MI 48824 USA. EM shadeash@msu.edu OI Shade, Ashley/0000-0002-7189-3067 FU Michigan State University; Alfred P. Sloan Foundation; US Department of Energy [DE-AC02-06CH11357] FX This work was supported by Michigan State University. J.A.G. was generously supported by the Alfred P. Sloan Foundation. This work was supported in part by the US Department of Energy under Contract DE-AC02-06CH11357. NR 49 TC 15 Z9 16 U1 3 U2 37 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0966-842X EI 1878-4380 J9 TRENDS MICROBIOL JI Trends Microbiol. PD JUN PY 2015 VL 23 IS 6 BP 335 EP 340 DI 10.1016/j.tim.2015.01.007 PG 6 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA CK3NF UT WOS:000356122100007 PM 25667105 ER PT J AU Huang, H Yoo, S Yu, DT Qin, H AF Huang, Hao Yoo, Shinjae Yu, Dantong Qin, Hong TI Density-Aware Clustering Based on Aggregated Heat Kernel and Its Transformation SO ACM TRANSACTIONS ON KNOWLEDGE DISCOVERY FROM DATA LA English DT Article DE Design; Algorithms; Performance; Aggregated Heat Kernel; Local Density Affinity Transformation ID DIFFUSION MAPS; ROBUST; REGRESSION; ALGORITHM AB Current spectral clustering algorithms suffer from the sensitivity to existing noise and parameter scaling and may not be aware of different density distributions across clusters. If these problems are left untreated, the consequent clustering results cannot accurately represent true data patterns, in particular, for complex real-world datasets with heterogeneous densities. This article aims to solve these problems by proposing a diffusion-based Aggregated Heat Kernel (AHK) to improve the clustering stability, and a Local Density Affinity Transformation (LDAT) to correct the bias originating from different cluster densities. AHK statistically models the heat diffusion traces along the entire time scale, so it ensures robustness during the clustering process, while LDAT probabilistically reveals the local density of each instance and suppresses the local density bias in the affinity matrix. Our proposed framework integrates these two techniques systematically. As a result, it not only provides an advanced noise-resisting and density-aware spectral mapping to the original dataset but also demonstrates the stability during the processing of tuning the scaling parameter (which usually controls the range of neighborhood). Furthermore, our framework works well with the majority of similarity kernels, which ensures its applicability to many types of data and problem domains. The systematic experiments on different applications show that our proposed algorithm outperforms state-of-the-art clustering algorithms for the data with heterogeneous density distributions and achieves robust clustering performance with respect to tuning the scaling parameter and handling various levels and types of noise. C1 [Huang, Hao; Qin, Hong] SUNY Stony Brook, Dept Comp Sci, Stony Brook, NY 11794 USA. [Yoo, Shinjae; Yu, Dantong] Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA. RP Yoo, S (reprint author), Brookhaven Natl Lab, Computat Sci Ctr, Bldg 463, Upton, NY 11973 USA. EM haohuanghw@gmail.com; shinjae@gmail.com; dtyu@bnl.gov; qin@cs.stonybrook.edu FU NSF [IIS-0949467, IIS-1047715, IIS-1049448]; U.S. Department of Energy [DE-SC0003361]; DOE Systems Biology Knowledgebase [DE-AC02-98CH10886]; American Recovery and Reinvestment Act FX This article is an extension of the work published in ICDM 2011 [Huang et al. 2011]. This research is supported in part by NSF grants IIS-0949467, IIS-1047715, and IIS-1049448. It is also supported by the U.S. Department of Energy Grant No. DE-SC0003361, funded through the American Recovery and Reinvestment Act of 2009. In addition, this project is also supported in part by DOE Systems Biology Knowledgebase (DE-AC02-98CH10886). NR 58 TC 1 Z9 1 U1 1 U2 4 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 1556-4681 EI 1556-472X J9 ACM T KNOWL DISCOV D JI ACM Trans. Knowl. Discov. Data PD JUN PY 2015 VL 9 IS 4 AR 29 DI 10.1145/2700385 PG 35 WC Computer Science, Information Systems; Computer Science, Software Engineering SC Computer Science GA CJ7KX UT WOS:000355675000004 ER PT J AU Heroux, MA AF Heroux, Michael A. TI Editorial: ACM TOMS Replicated Computational Results Initiative SO ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE LA English DT Editorial Material DE Verification; Replicated computational results; reproducibility; validation; publication C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Heroux, MA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM maherou@sandia.gov NR 14 TC 1 Z9 1 U1 0 U2 1 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0098-3500 EI 1557-7295 J9 ACM T MATH SOFTWARE JI ACM Trans. Math. Softw. PD JUN PY 2015 VL 41 IS 3 AR 13 DI 10.1145/2743015 PG 5 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA CJ7JJ UT WOS:000355670800001 ER PT J AU Willenbring, JM AF Willenbring, James M. TI Replicated Computational Results (RCR) Report for "BLIS: A Framework for Rapidly Instantiating BLAS Functionality" SO ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE LA English DT Article DE Algorithms; Performance; Linear algebra; libraries; high-performance; matirx; BLAS; Replicated Computational Results AB "BLIS: A Framework for Rapidly Instantiating BLAS Functionality" includes single-platform BLIS performance results for both level-2 and level-3 operations that is competitive with OpenBLAS, ATLAS, and Intel MKL. A detailed description of the configuration used to generate the performance results was provided to the reviewer by the authors. All the software components used in the comparison were reinstalled and new performance results were generated and compared to the original results. After completing this process, the published results are deemed replicable by the reviewer. C1 Sandia Natl Labs, Ctr Res Comp, Albuquerque, NM 87123 USA. RP Willenbring, JM (reprint author), Sandia Natl Labs, Ctr Res Comp, Albuquerque, NM 87123 USA. EM jmwille@sandia.gov RI Willenbring, Jane/B-6431-2011 OI Willenbring, Jane/0000-0003-2722-9537 NR 1 TC 0 Z9 0 U1 0 U2 2 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0098-3500 EI 1557-7295 J9 ACM T MATH SOFTWARE JI ACM Trans. Math. Softw. PD JUN PY 2015 VL 41 IS 3 AR 15 DI 10.1145/2738033 PG 4 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA CJ7JJ UT WOS:000355670800003 ER PT J AU Yakovenko, AA Chapman, KW Halder, GJ AF Yakovenko, Andrey A. Chapman, Karena W. Halder, Gregory J. TI Pressure-induced structural phase transformation in cobalt(II) dicyanamide SO ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS LA English DT Article DE high pressure; magnetic molecular framework material; MOFs ID METAL-ORGANIC FRAMEWORK; NEGATIVE LINEAR COMPRESSIBILITY; INDUCED AMORPHIZATION; M(DCA)(2); MAGNETISM; N(CN)(2) AB In situ synchrotron powder diffraction has been used to probe the pressure-dependent structural properties of the magnetic molecular framework material Co(dca)(2) [dca = dicyanamide or N(CN)(2)(-)]. An orthorhombic (Pmnn) to monoclinic (P2(1)/n) transformation to a high-pressure phase, namely gamma-Co(dca)(2), occurs at 1.1 GPa. Structural determination of gamma-Co(dca)(2) shows that the rutile-like topology of the pristine material is retained at high pressures, with the lower symmetry allowing a progression of volume-reducing structural distortions. gamma-Co(dca)(2) was stable at the maximum pressure measured of 4.2 GPa. Both phases were soft, with bulk moduli (B-0) for gamma-Co(dca)(2) and gamma-Co(dca)(2) of 13.15 (18) and 9.0 (6) GPa, respectively. Modest uniaxial negative linear compressibility (K) of the order of -4 TPa-1 was observed over the entire measured pressure range. C1 [Yakovenko, Andrey A.; Chapman, Karena W.; Halder, Gregory J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Halder, GJ (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM halder@aps.anl.gov FU DOE Office of Science [DE-AC02-06CH11357]; Director's Postdoctoral Fellowship program at ANL FX This research used resources of the Advanced Photon Source, a US Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory (ANL) under Contract No. DE-AC02-06CH11357. AAY thanks the Director's Postdoctoral Fellowship program at ANL. NR 29 TC 5 Z9 5 U1 1 U2 14 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-5206 J9 ACTA CRYSTALLOGR B JI Acta Crystallogr. Sect. B-Struct. Sci.Cryst. Eng. Mat. PD JUN PY 2015 VL 71 BP 252 EP 257 DI 10.1107/S2052520615005867 PN 3 PG 6 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CJ5VJ UT WOS:000355560000003 PM 26027001 ER PT J AU Tsang, BL Devine, OJ Cordero, AM Marchetta, CM Mulinare, J Mersereau, P Guo, J Qi, YP Berry, RJ Rosenthal, J Crider, KS Hamner, HC AF Tsang, Becky L. Devine, Owen J. Cordero, Amy M. Marchetta, Claire M. Mulinare, Joseph Mersereau, Patricia Guo, Jing Qi, Yan Ping Berry, Robert J. Rosenthal, Jorge Crider, Krista S. Hamner, Heather C. TI Assessing the association between the methylenetetrahydrofolate reductase (MTHFR) 677C > T polymorphism and blood folate concentrations: a systematic review and meta-analysis of trials and observational studies SO AMERICAN JOURNAL OF CLINICAL NUTRITION LA English DT Review DE MTHFR; serum folate; plasma folate; red blood cell folate; neural tube defects ID NEURAL-TUBE DEFECTS; FOLIC-ACID SUPPLEMENTATION; PLASMA HOMOCYSTEINE LEVELS; 5,10-METHYLENETETRAHYDROFOLATE REDUCTASE; YOUNG-WOMEN; MICROBIOLOGICAL ASSAY; HEALTHY-SUBJECTS; THERMOLABILE VARIANT; ERYTHROCYTE FOLATE; STATUS RESPONSE AB Background: The methylenetetrahydrofolate reductase (MTHFR) 677C>T polymorphism is a risk factor for neural tube defects. The T allele produces an enzyme with reduced folate-processing capacity, which has been associated with lower blood folate concentrations. Objective: We assessed the association between MTHFR C677T genotypes and blood folate concentrations among healthy women aged 12-49 y. Design: We conducted a systematic review of the literature published from January 1992 to March 2014 to identify trials and observational studies that reported serum, plasma, or red blood cell (RBC) folate concentrations and MTHFR C677T genotype. We conducted a meta-analysis for estimates of percentage differences in blood folate concentrations between genotypes. Results: Forty studies met the inclusion criteria. Of the 6 studies that used the microbiologic assay (MA) to measure serum or plasma (SIP) and RBC folate concentrations, the percentage difference between genotypes showed a clear pattern of CC > CT > IT The percentage difference was greatest for CC > IT [S/P: 13%; 95% credible interval (CrI): 7%, 18%; RBC: 16%; 95% CrI: 12%, 20%] followed by CC > CT (S/P: 7%; 95% CrI: 1%, 12%; RBC: 8%; 95% CrI: 4%, 12%) and CT > IT (S/P: 6%; 95% CrI: 1%, 11%; RBC: 9%; 95% CrI: 5%, 13%). S/P folate concentrations measured by using protein-binding assays (PBAs) also showed this pattern but to a greater extent (e.g., CC > 171 20%; 95% CrI: 17%, 22%). In contrast, RBC folate concentrations measured by using PBAs did not show the same pattern and are presented in the Supplemental Material only. Conclusions: Meta-analysis results (limited to the MA, the recommended population assessment method) indicated a consistent percentage difference in SIP and RBC folate concentrations across MTHFR C677T genotypes. Lower blood folate concentrations associated with this polymorphism could have implications for a population-level risk of neural tube defects. C1 [Cordero, Amy M.; Berry, Robert J.; Rosenthal, Jorge; Crider, Krista S.] CDC, Div Birth Defects & Dev Disabil, NCBDDD, Atlanta, GA 30341 USA. [Hamner, Heather C.] CDC, Div Nutr Phys Activiti & Obes, Natl Ctr Chron Dis Prevent & Hlth Prmot, Atlanta, GA 30341 USA. [Guo, Jing] Acentia, Falls Church, VA USA. [Devine, Owen J.; Mulinare, Joseph; Qi, Yan Ping] Carter Consulting Inc, Atlanta, GA USA. [Tsang, Becky L.; Marchetta, Claire M.; Qi, Yan Ping] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Mersereau, Patricia] SciMetrika LLC, Atlanta, GA USA. RP Hamner, HC (reprint author), CDC, Natl Ctr Chron Dis Prevent & Hlth Promot, 4770 Buford Highway,NE,MS F-76, Atlanta, GA 30341 USA. EM hfc2@cdc.gov FU CDC FX BLT, CMM, and YPQ were supported by the CDC and in part by an appointment to the Research Participation Program at CDC administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the US Department of Energy and CDC. NR 68 TC 17 Z9 19 U1 3 U2 10 PU AMER SOC NUTRITION-ASN PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0002-9165 EI 1938-3207 J9 AM J CLIN NUTR JI Am. J. Clin. Nutr. PD JUN PY 2015 VL 101 IS 6 BP 1286 EP 1294 DI 10.3945/ajcn.114.099994 PG 9 WC Nutrition & Dietetics SC Nutrition & Dietetics GA CJ6YU UT WOS:000355641900023 PM 25788000 ER PT J AU Di Rosa, MD Reiten, MT AF Di Rosa, Michael D. Reiten, M. T. TI Computational expressions for signals in frequency-modulation spectroscopy SO APPLIED OPTICS LA English DT Article ID VOIGT FUNCTION; LINES; DOPPLER; CAVITY; C2H2 AB General expressions for the signals in frequency-modulation spectroscopy (FMS) appear in the literature but are often reduced to simple analytical equations following the assumption of a weak modulation index. This is little help to the experimentalist who wants to predict signals for modulation depths of the order of unity or greater, where strong FMS signals reside. Here, we develop general formulas for FMS signals in the case of an absorber with a Voigt line shape and then link these expressions to an example and existing numerical code for the line shape. The resulting computational recipe is easy to implement and exercised here to show where the larger FMS signals are found over the coordinates of modulation index and modulation frequency. One can also estimate from provided curves the in-phase FMS signal over a wide range of modulation parameters at either the Lorentzian-broadening or Doppler-broadening limit, or anywhere in between by interpolation. (C) 2015 Optical Society of America C1 [Di Rosa, Michael D.; Reiten, M. T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Di Rosa, MD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM mdd@lanl.gov FU U.S. Department of Energy through the Laboratory-Directed Research and Development program at Los Alamos National Laboratory FX The authors thank the U.S. Department of Energy for supporting this work through the Laboratory-Directed Research and Development program at Los Alamos National Laboratory. NR 27 TC 0 Z9 0 U1 3 U2 5 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 2015 VL 54 IS 16 BP 5031 EP 5036 DI 10.1364/AO.54.005031 PG 6 WC Optics SC Optics GA CJ5UF UT WOS:000355555700013 PM 26192662 ER PT J AU Polyanskiy, MN AF Polyanskiy, Mikhail N. TI co2amp: A software program for modeling the dynamics of ultrashort pulses in optical systems with CO2 amplifiers SO APPLIED OPTICS LA English DT Article AB A computer code for simulating the amplification of ultrashort mid-infrared laser pulses in CO2 amplifiers and their propagation through arbitrary optical systems is described. The code is based on a comprehensive model that includes an accurate consideration of the CO2 active medium and a physical optics propagation algorithm, and takes into account the interaction of the laser pulse with the material of the optical elements. The application of the code for optimizing an isotopic regenerative amplifier is described. (C) 2015 Optical Society of America C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Polyanskiy, MN (reprint author), Brookhaven Natl Lab, Bldg 820M, Upton, NY 11973 USA. EM polyanskiy@bnl.gov RI Polyanskiy, Mikhail/E-8406-2010 FU US DOE [DE-AC02-98CH10886] FX US DOE (DE-AC02-98CH10886). NR 11 TC 5 Z9 5 U1 2 U2 4 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 2015 VL 54 IS 16 BP 5136 EP 5142 DI 10.1364/AO.54.005136 PG 7 WC Optics SC Optics GA CJ5UF UT WOS:000355555700027 PM 26192676 ER PT J AU Schollmeier, MS Geissel, M Shores, JE Smith, IC Porter, JL AF Schollmeier, Marius S. Geissel, Matthias Shores, Jonathon E. Smith, Ian C. Porter, John L. TI Performance of bent-crystal x-ray microscopes for high energy density physics research SO APPLIED OPTICS LA English DT Article ID NATIONAL IGNITION FACILITY; LASER-PRODUCED PLASMA; SPHERICAL CRYSTAL; FUSION; RESOLUTION; EFFICIENT; EMISSION; SYSTEM; QUARTZ AB We present calculations for the field of view (FOV), image fluence, image monochromaticity, spectral acceptance, and image aberrations for spherical crystal microscopes, which are used as self-emission imaging or backlighter systems at large-scale high energy density physics facilities. Our analytic results are benchmarked with ray-tracing calculations as well as with experimental measurements from the 6.151 keV backlighter system at Sandia National Laboratories. The analytic expressions can be used for x-ray source positions anywhere between the Rowland circle and object plane. This enables quick optimization of the performance of proposed but untested, bent-crystal microscope systems to find the best compromise between FOV, image fluence, and spatial resolution for a particular application. (C) 2015 Optical Society of America C1 [Schollmeier, Marius S.; Geissel, Matthias; Shores, Jonathon E.; Smith, Ian C.; Porter, John L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Schollmeier, MS (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mscholl@sandia.gov FU National Nuclear Security Administration, U.S. Department of Energy (NNSA) [DE-AC04-94AL85000] FX National Nuclear Security Administration, U.S. Department of Energy (NNSA) (DE-AC04-94AL85000). NR 53 TC 4 Z9 4 U1 0 U2 8 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD JUN 1 PY 2015 VL 54 IS 16 BP 5147 EP 5161 DI 10.1364/AO.54.005147 PG 15 WC Optics SC Optics GA CJ5UF UT WOS:000355555700029 PM 26192678 ER PT J AU McGuire, JM Congdon, JD Kinney, OM Osentoski, M Scribner, KT AF McGuire, J. M. Congdon, J. D. Kinney, O. M. Osentoski, M. Scribner, K. T. TI Influences on male reproductive success in long-lived Blanding's Turtles (Emydoidea blandingii) SO CANADIAN JOURNAL OF ZOOLOGY LA English DT Article DE Emydoidea blandingii; Blanding's Turtle; life history; mating system; reproductive success; parentage ID CHRYSEMYS-PICTA-MARGINATA; EFFECTIVE POPULATION-SIZE; FRESH-WATER TURTLES; MALE MATE CHOICE; MULTIPLE PATERNITY; SPERM STORAGE; PAINTED TURTLES; SEXUAL SELECTION; MATING PATTERNS; MICROSATELLITE LOCI AB Knowing how the number and qualities of mates influence male reproductive success (RS) can help interpret mating-system dynamics that are important for conservation efforts. We combined parentage data (1999-2006) with data from a long-term life-history study (1953-2007) of Blanding's Turtles (Emydoidea blandingii (Holbrook, 1838)) on the University of Michigan's E.S. George Reserve to document the relative influence of mate number and quality on male RS. Blood samples were taken from >92% of resident adults and tissue samples were taken from 723 hatchlings from 92 nests of 54 females over eight nesting seasons. The incidence of multiple paternity averaged 41.6% (N = 77), was variable among years (minimum-maximum = 15.4%-55.6%), and was positively associated with female age, body size, and clutch size. Repeat paternity was observed in 69.9% of sequential clutches of the same female separated by 1-7 years. Male RS was variable (1-40 offspring) and was positively associated with the number of mates and clutches sired. The youngest male to sire offspring was 22 years old. Adult movements that result in encountering different mates and (or) the ability to use attributes (e.g., size or age) to identify high-quality mates have the potential to substantially increase RS. C1 [McGuire, J. M.; Scribner, K. T.] Michigan State Univ, Dept Zool, E Lansing, MI 48824 USA. [Congdon, J. D.; Kinney, O. M.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Kinney, O. M.] Darlington Sch, Rome, GA 30161 USA. [Scribner, K. T.] Michigan State Univ, Dept Fisheries & Wildlife, E Lansing, MI 48824 USA. RP McGuire, JM (reprint author), Michigan State Univ, Dept Zool, 288 Farm Lane Room 203,Nat Sci Bldg, E Lansing, MI 48824 USA. EM mcguir35@msu.edu FU National Science Foundation [DEB-74-070631, DEB-79-06301, BSR-84-00861, BSR-90-19771]; Fabbro family; University of Michigan's Museum of Zoology and Ecology and Evolutionary Biology Department; Michigan Department of Natural Resources; Michigan State University Department of Fisheries and Wildlife; Michigan Agricultural Experimental Station; Environmental Remediation Sciences Division of the Office of Biological and Environmental Research, U.S. Department of Energy [DE-FC09-96SR18546] FX We recognize the contributions of the long-term field crew H. Avery, T. Quinter, R. Nagle, and R. van Loben Sels, as well as the large number of shorter term field assistants. R. Estes and M. Burkman spent long hours of line editing and error checking data; C. Fabbro provided emergency help processing hatchlings for 2 years of the genetics study. Assistance with the laboratory portion of the study was provided by R. Komosinski, S. Libants, and K. Bennett; B. Jones helped with obtaining and facilitating the use of the NEST program. Improvements of earlier drafts of the manuscript are the results of comments from N. Dickson, K. Holekamp, D. Schemske, A. McAdam, and members of the K. T. Scribner laboratory. Funding for the first third of the life-history research study was provided by the National Science Foundation (DEB-74-070631, DEB-79-06301, BSR-84-00861, and BSR-90-19771) to J.D.C. Additional support for the life-history and genetics study was provided by N. Dickson, J. Congdon, the Fabbro family, and M. Tinkle. Research and manuscript preparation were aided by the University of Michigan's Museum of Zoology and Ecology and Evolutionary Biology Department (J. M. M.), the Partnership for Ecosystem Research and Management (PERM) program between the Michigan Department of Natural Resources and the Michigan State University Department of Fisheries and Wildlife (K. T. S.), and the Michigan Agricultural Experimental Station (K. T. S.). Manuscript preparation was also aided by the Environmental Remediation Sciences Division of the Office of Biological and Environmental Research, U.S. Department of Energy, through the Financial Assistant Award No. DE-FC09-96SR18546 to the University of Georgia Research Foundation. NR 82 TC 0 Z9 0 U1 2 U2 32 PU CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS PI OTTAWA PA 65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA SN 0008-4301 EI 1480-3283 J9 CAN J ZOOL JI Can. J. Zool. PD JUN PY 2015 VL 93 IS 6 BP 487 EP 497 DI 10.1139/cjz-2014-0338 PG 11 WC Zoology SC Zoology GA CJ7LE UT WOS:000355675800009 ER PT J AU Enos, DG Bryan, CR AF Enos, D. G. Bryan, C. R. TI The Long-Term Corrosion Performance of Alloy 22 in Heated Brine Solutions SO CORROSION LA English DT Article DE general corrosion; mass loss; nickel alloys; nuclear waste AB Long-term corrosion experiments have been performed on Alloy 22 (UNS N06022), in a series of heated brines formulated to represent evaporatively concentrated ground water, to evaluate the long-term corrosion performance of the material. These solutions included 0.5 M NaCl, in addition to two simulated concentrated ground water solutions. Under conditions where Alloy 22 was anticipated to be passive, the corrosion rate was found to be vanishingly small (i.e., below the resolution of the weight-loss technique used to quantify corrosion in this study). However, under low pH conditions where Alloy 22 was anticipated to be active, or more specifically, where the chromium oxide passive film was not thermodynamically stable, the corrosion rate was appreciable. Furthermore, under such conditions the corrosion rate was observed to be a strong function of temperature, with an activation energy of 72.9 +/- 1.8 kJ/mol. Time of Flight-Secondary Ion Mass Spectroscopy analysis of the oxide layer revealed that, while sulfur was present within the oxide for all test conditions, no accumulation was observed at or near the metal/oxide interface. These observations confirm that inhibition of passive film formation via sulfur accumulation does not occur during the corrosion of Alloy 22. C1 [Enos, D. G.] Sandia Natl Labs, Mat Reliabil Dept, Albuquerque, NM 87185 USA. [Bryan, C. R.] Sandia Natl Labs, Storage & Transportat Dept, Albuquerque, NM 87185 USA. RP Enos, DG (reprint author), Sandia Natl Labs, Mat Reliabil Dept, POB 5800, Albuquerque, NM 87185 USA. EM dgenos@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors gratefully acknowledge the technical support provided by Sam Lucero for assisting with the assembly and monitoring of the exposure chambers, as well as a portion of the weight change measurement; Kirsten Norman for her assistance with a portion of the weight change measurement, coupon preparation, and data analysis; Carly George and Eddie Lopez for coupon and solution preparation; and Alice Kilgo for her assistance with coupon preparation. 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 14 TC 0 Z9 0 U1 1 U2 2 PU NATL ASSOC CORROSION ENG PI HOUSTON PA 1440 SOUTH CREEK DRIVE, HOUSTON, TX 77084-4906 USA SN 0010-9312 EI 1938-159X J9 CORROSION-US JI Corrosion PD JUN PY 2015 VL 71 IS 6 BP 758 EP 770 DI 10.5006/1581 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CJ5VH UT WOS:000355559700007 ER PT J AU Fajardo, KA Zorich, SC Voss, JD Thervil, JW AF Fajardo, Kevin A. Zorich, Shauna C. Voss, Jameson D. Thervil, Jeffrey W. TI Pneumonia Outbreak Caused by Chlamydophila pneumoniae among US Air Force Academy Cadets, Colorado, USA SO EMERGING INFECTIOUS DISEASES LA English DT Article ID INFECTION AB During October 2013 May 2014, there were 102 cases of pneumonia diagnosed in US Air Force Academy cadets. A total of 73% of tested nasal washes contained Chlamydophila pneumoniae. This agent can be considered to be present on campus settings during outbreaks with numerous, seemingly disconnected cases of relatively mild pneumonia. C1 [Fajardo, Kevin A.] US Air Force Acad, Colorado Springs, CO 80840 USA. [Zorich, Shauna C.; Voss, Jameson D.; Thervil, Jeffrey W.] US Air Force Sch Aerosp Med, Wright Patterson AFB, OH USA. [Thervil, Jeffrey W.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Fajardo, KA (reprint author), US Air Force Acad, Prevent Med, Colorado Springs, CO 80840 USA. EM kevin.fajardo@us.af.mil NR 9 TC 2 Z9 2 U1 0 U2 1 PU CENTERS DISEASE CONTROL PI ATLANTA PA 1600 CLIFTON RD, ATLANTA, GA 30333 USA SN 1080-6040 EI 1080-6059 J9 EMERG INFECT DIS JI Emerg. Infect. Dis PD JUN PY 2015 VL 21 IS 6 BP 1049 EP 1051 DI 10.3201/eid2106.141394 PG 3 WC Immunology; Infectious Diseases SC Immunology; Infectious Diseases GA CJ3MA UT WOS:000355386900020 PM 25988545 ER PT J AU Dechery, F Drouart, A Savajols, H Nolen, J Authier, M Amthor, AM Boutin, D Delferriere, O Gall, B Hue, A Laune, B Le Blanc, F Manikonda, S Payet, J Stodel, MH Traykov, E Uriot, D AF Dechery, F. Drouart, A. Savajols, H. Nolen, J. Authier, M. Amthor, A. M. Boutin, D. Delferriere, O. Gall, B. Hue, A. Laune, B. Le Blanc, F. Manikonda, S. Payet, J. Stodel, M-H Traykov, E. Uriot, D. CA S3 Collaboration TI Toward the drip lines and the superheavy island of stability with the Super Separator Spectrometer S-3 SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article ID SPIRAL2 STABLE BEAMS; ION BEAMS; EVAPORATION AB The Super Separator Spectrometer S-3 is a major experimental system developed for SPIRAL2. It has been designed for physics experiments with very low cross sections by taking full advantage of the very high intensity stable beams to be produced by LINAG, the superconducting linear accelerator at GANIL. These intensities will open new opportunities in several physics domains using fusion evaporation reactions, principally: super-heavy and very heavy element properties, spectroscopy at and beyond the dripline, and isomer and ground-state properties. The common feature of these experiments is the requirement to separate very rare events from intense backgrounds. S-3 accomplishes this with a large acceptance, a high background rejection efficiency, and a physical mass separation. This article will present the technical specifications and optical constraints needed to achieve these physical goals. The optical layout of the spectrometer will be presented, focusing on technical elements of the target system, the superconducting multipole magnets used to correct high-order optical aberrations, the electric and magnetic dipoles, and the open multipole triplet used for primary beam rejection. The expected system performance will be presented for three experimental cases using 3 specific optical modes of the spectrometer. C1 [Dechery, F.; Boutin, D.; Gall, B.; Le Blanc, F.] Univ Strasbourg, IPHC, F-67037 Strasbourg, France. [Dechery, F.; Boutin, D.; Gall, B.; Le Blanc, F.] CNRS, UMR7178, F-67037 Strasbourg, France. [Drouart, A.; Authier, M.; Delferriere, O.; Payet, J.; Uriot, D.] CEA Saclay, Irfu, F-91191 Gif Sur Yvette, France. [Savajols, H.; Stodel, M-H; Traykov, E.] GANIL, F-14000 Caen, France. [Nolen, J.] Argonne Natl Lab, Argonne, IL 60439 USA. [Amthor, A. M.] Bucknell Univ, Lewisburg, PA 17837 USA. [Hue, A.; Laune, B.] Univ Paris 11, IPNO, CNRS, IN2P3, F-91406 Orsay, France. [Manikonda, S.] AML Superconduct & Magnet, Palm Bay, FL 32905 USA. RP Dechery, F (reprint author), Univ Strasbourg, IPHC, F-67037 Strasbourg, France. EM fabien.dechery@iphc.cnrs.fr FU French research Ministry, National Research Agency (ANR), through the S3-EQUIPEX (EQUIpment of EXcellence) [ANR-10EQPX-46]; U.S. Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357]; E.C.FP7-INFRASTRUCTURES [212692] FX The S3 project represents the achievement of a large international collaboration, 28 partner laboratories gathered together around a common physical ambition through letters of intent and innovative technological developments. The main involved laboratories are: GANIL, Institut de Recherche Fondamental sur les lois de l'Univers (CEA/Irfu), l'Institut de Physique Nucleaire d'Orsay (CNRS/IPNO), l'Institut Pluridisciplinaire Hubert Curien (CNRS/IPHC), Centre de Sciences Nucleaires et de Sciences de la Matiere (CNRS/CSNSM), Argonne National Laboratory (ANL), and l'Institut des NanoScience de Paris (INSP). Authors would like to thank the S3 collaborators for fruitful discussions. S3 has been funded by the French research Ministry, National Research Agency (ANR), through the S3-EQUIPEX (EQUIpment of EXcellence) reference ANR-10EQPX-46, and partially supported by the U.S. Department of Energy, Office of Nuclear Physics, under contract No. DE-AC02-06CH11357 and by the E.C.FP7-INFRASTRUCTURES 2007, SPIRAL2 Preparatory Phase, Grant agreement No.: 212692. Part of this work (FD) is done under the Strasbourg University "IDEX" Initiative D'EXcellence program framework. NR 43 TC 2 Z9 2 U1 0 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6001 EI 1434-601X J9 EUR PHYS J A JI Eur. Phys. J. A PD JUN 1 PY 2015 VL 51 IS 6 AR 66 DI 10.1140/epja/i2015-15066-3 PG 16 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA CJ3VQ UT WOS:000355412700001 ER PT J AU Elsinga, GE Orlicz, GC AF Elsinga, G. E. Orlicz, G. C. TI Particle imaging through planar shock waves and associated velocimetry errors SO EXPERIMENTS IN FLUIDS LA English DT Article ID VELOCITY-MEASUREMENTS; PIV; LAYERS; MODEL AB When imaging particles through a shock wave, the resulting particle image appears blurred and at the wrong location, which is referred to as a position error. Particle image doublets are observed if only part of the light scattered by a particle is deflected or reflected by the shock. These optical distortions are due to the jump in the refractive index that occurs over the shock. Within the context of popular particle-based velocimetry techniques, such as particle image velocimetry and particle tracking velocimetry, the position error propagates into an error in the measured velocity. These particle image distortions and associated errors are assessed and quantified in this paper for the case of planar shocks by means of a light ray tracing approach and by experiments. The errors are shown to be most sensitive to the angle between the viewing direction and the plane of the shock. Increasing this angle to modest values (similar to 5 degrees) is a particularly effective way to decrease the relative velocity error. Looking at the shock from the high-density side is recommended when the accurate determination of the particle response to the shock wave is desired. C1 [Elsinga, G. E.] Delft Univ Technol, Dept Mech Maritime & Mat Engn, Lab Aero & Hydrodynam, NL-2628 CA Delft, Netherlands. [Orlicz, G. C.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Elsinga, GE (reprint author), Delft Univ Technol, Dept Mech Maritime & Mat Engn, Lab Aero & Hydrodynam, Leeghwaterstr 21, NL-2628 CA Delft, Netherlands. EM g.e.elsinga@tudelft.nl NR 18 TC 0 Z9 0 U1 2 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0723-4864 EI 1432-1114 J9 EXP FLUIDS JI Exp. Fluids PD JUN PY 2015 VL 56 IS 6 AR 129 DI 10.1007/s00348-015-2004-9 PG 12 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA CJ7GC UT WOS:000355661700016 ER PT J AU Dantas, JM Campelo, LM Duke, NEC Salgueiro, CA Pokkuluri, PR AF Dantas, Joana M. Campelo, Luisa M. Duke, Norma E. C. Salgueiro, Carlos A. Pokkuluri, P. Raj TI The structure of PccH from Geobactersulfurreducens-a novel low reduction potential monoheme cytochrome essential for accepting electrons from an electrode SO FEBS JOURNAL LA English DT Article DE c-type cytochrome; electron transfer; Geobacter sulfurreducens; heme protein; microbial electrosynthesis ID C-TYPE CYTOCHROMES; GEOBACTER-SULFURREDUCENS; ELECTROCHEMICAL CHARACTERIZATION; MICROBIAL-PRODUCTION; REDOX POTENTIALS; RESPIRATION; SHEWANELLA; SEQUENCE; C(3); NMR AB The structure of cytochrome c (GSU3274) designated as PccH from Geobactersulfurreducens was determined at a resolution of 2.0 angstrom. PccH is a small (15kDa) cytochrome containing one c-type heme, found to be essential for the growth of G.sulfurreducens with respect to accepting electrons from graphite electrodes poised at -300mV versus standard hydrogen electrode. with fumarate as the terminal electron acceptor. The structure of PccH is unique among the monoheme cytochromes described to date. The structural fold of PccH can be described as forming two lobes with the heme sandwiched in a cleft between the two lobes. In addition, PccH has a low reduction potential of -24mV at pH7, which is unusual for monoheme cytochromes. Based on difference in structure, together with sequence phylogenetic analysis, we propose that PccH can be regarded as a first characterized example of a new subclass of class I monoheme cytochromes. The low reduction potential of PccH may enable the protein to be redox active at the typically negative potential ranges encountered by G. sulfurreducens. Because PccH is predicted to be located in the periplasm of this bacterium, it could not be involved in the first step of accepting electrons from the electrode but is very likely involved in the downstream electron transport events in the periplasm. C1 [Dantas, Joana M.; Campelo, Luisa M.; Salgueiro, Carlos A.] Univ Nova Lisboa, Dept Quim, UCIBIO REQUIMTE, Fac Ciencias & Tecnol, Caparica, Portugal. [Duke, Norma E. C.; Pokkuluri, P. Raj] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Pokkuluri, PR (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM csalgueiro@fct.unl.pt; rajp@anl.gov RI Salgueiro, Carlos/A-4522-2013; Dantas, Joana/B-8275-2017 OI Salgueiro, Carlos/0000-0003-1136-809X; Dantas, Joana/0000-0002-4852-7608 FU Fundacao para a Ciencia e a Tecnologia (FCT), Portugal [PTDC/BBB-BEP/0753/2012, PEst-C/EQB/LA0006/2013]; Fundacao para a Ciencia e a Tecnologia [RECI/BBB-BQB/0230/2012]; FCT [SFRH/BD/89701/2012]; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy program [DE-AC02-06CH11357] FX We thank Dr Marianne Schiffer and Professor David L. Turner for many stimulating discussions and their advice. This work was supported by project grant PTDC/BBB-BEP/0753/2012 (to CAS) and strategic grant PEst-C/EQB/LA0006/2013 (to REQUIMTE Laboratorio Associado) from Fundacao para a Ciencia e a Tecnologia (FCT), Portugal. The NMR spectrometers are part of The National NMR Facility, supported by Fundacao para a Ciencia e a Tecnologia (RECI/BBB-BQB/0230/2012). JMD is the recipient of grant SFRH/BD/89701/2012 from FCT. PRP is partially supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy program under contract number DE-AC02-06CH11357. Use of the Structural Biology Center beam lines was supported by the US Department of Energy's Office of Biological and Environmental Research. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 56 TC 4 Z9 4 U1 2 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1742-464X EI 1742-4658 J9 FEBS J JI FEBS J. PD JUN PY 2015 VL 282 IS 11 BP 2215 EP 2231 DI 10.1111/febs.13269 PG 17 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CJ7GZ UT WOS:000355664000012 PM 25786707 ER PT J AU Iglesias, CA AF Iglesias, Carlos A. TI Enigmatic photon absorption in plasmas near solar interior conditions SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Opacity; f-sum rule; Solar interior ID TRANSPARENCY WINDOW; IONIZATION; SERIES AB Large systematic discrepancies between theoretical and experimental photon absorption of Fe plasmas applicable to the solar interior were reported [Bailey et al., Nature 517, 56 (2015)]. The disagreement is examined in the context of the Thomas-Reiche-Kuhn f-sum rule. The analysis identifies several anomalies in the experimental results. (C) 2015 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Iglesias, CA (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. EM iglesias1@llnl.gov FU U.S. Department of Energy [DE-AC52-07NA27344] FX It is a pleasure to thank J.E. Bailey and J.P. Colgan for valuable discussions. Special thanks are due to J.E. Bailey for the Sandia data prior to publication. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 19 TC 4 Z9 4 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD JUN PY 2015 VL 15 BP 4 EP 7 DI 10.1016/j.hedp.2015.03.009 PG 4 WC Physics, Fluids & Plasmas SC Physics GA CJ6DL UT WOS:000355583500002 ER PT J AU Zhang, Z Nishimura, H Fujioka, S Arikawa, Y Ikenouchi, T Nakai, M Nagatomo, H Chen, H Park, J Williams, GJ Ozaki, T Shiraga, H Kojima, S Hosoda, H Miyanaga, N Kawanaka, J Nakata, Y Jitsuno, T Azechi, H AF Zhang, Z. Nishimura, H. Fujioka, S. Arikawa, Y. Ikenouchi, T. Nakai, M. Nagatomo, H. Chen, H. Park, J. Williams, G. J. Ozaki, T. Shiraga, H. Kojima, S. Hosoda, H. Miyanaga, N. Kawanaka, J. Nakata, Y. Jitsuno, T. Azechi, H. TI Quantitative K alpha line spectroscopy for energytransport in fast ignition plasma driven with LFEX PW laser SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE X-ray spectroscopy; Laser-plasma interaction; Hard X-rays; Fast ignition ID RAY; TRANSMISSION; SPECTRA AB Quantitative high-energy X-ray spectroscopy is applied for the laser plasma interaction in the fast ignition scheme. A double tracer layer target is designed for the absolute measurement of hot electron temperature and laser energy transfer efficiency. The hot electron temperature is determined from the ratio of the number of K alpha photons from the first and second tracers. Consequently, the energy transfer efficiency from incident laser beams to hot electrons, as the energy transfer mechanism, is derived. In a cone-guide geometry, we simultaneously measured the hot electron temperature and the energy transfer efficiency from the incident LFEX, a kJ-class PW laser, which were measured to be 5.3 MeV and 37%, respectively. (C) 2015 Elsevier B.V. All rights reserved. C1 [Zhang, Z.; Nishimura, H.; Fujioka, S.; Arikawa, Y.; Ikenouchi, T.; Nakai, M.; Nagatomo, H.; Shiraga, H.; Kojima, S.; Hosoda, H.; Miyanaga, N.; Kawanaka, J.; Nakata, Y.; Jitsuno, T.; Azechi, H.] Osaka Univ, Inst Laser Engn, Suita, Osaka 5650871, Japan. [Zhang, Z.] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Chen, H.; Park, J.; Williams, G. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Ozaki, T.] Natl Inst Fus Sci, LHD, High Temp Plasma G, Toki, Gifu 5095292, Japan. RP Zhang, Z (reprint author), Osaka Univ, Inst Laser Engn, 2-6 Yamada Oka, Suita, Osaka 5650871, Japan. EM zhang-z@ile.osaka-u.ac.jp RI Azechi, Hiroshi/H-5876-2015; Nakai, Mitsuo/I-6758-2015; Nishimura, Hiroaki/I-4908-2015; Kawanaka, Junji/P-8065-2015; Shiraga, Hiroyuki/I-9565-2015; Zhang, Zhe/J-2655-2014; Fujioka, Shinsuke/J-5530-2015; Nakata, Yoshiki/L-4957-2015; Arikawa, Yasunobu/L-8760-2015; Jitsuno, Takahisa/M-6056-2015 OI Nakai, Mitsuo/0000-0001-6076-756X; Kawanaka, Junji/0000-0001-5655-7981; Zhang, Zhe/0000-0001-8076-5094; Fujioka, Shinsuke/0000-0001-8406-1772; Nakata, Yoshiki/0000-0002-0680-999X; Arikawa, Yasunobu/0000-0002-3142-3060; FU JSPS [26246043] FX The authors would like to thank the Gekko-XII and LFEX laser operation crew, the target fabrication group, the plasma diagnostics group, and the computer operation staffs for their great contribution to this work. This work was partly supported by JSPS KAKENHI Grant Number 26246043. NR 15 TC 0 Z9 0 U1 2 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD JUN PY 2015 VL 15 BP 78 EP 81 DI 10.1016/j.hedp.2015.04.001 PG 4 WC Physics, Fluids & Plasmas SC Physics GA CJ6DL UT WOS:000355583500012 ER PT J AU Panas, RM Culpepper, ML AF Panas, Robert M. Culpepper, Martin L. TI Engineering Electrical Interfaces to Silicon via Indium Solder SO IEEE TRANSACTIONS ON ELECTRON DEVICES LA English DT Article DE Indium; reverse bias; Schottky diode; soldering ID SCHOTTKY DIODES; LOW-TEMPERATURE; DIFFUSION; RESISTANCE; CONTACTS; DESIGN; MODEL; SYSTEMS; LEVEL; MEMS AB This paper provides engineering models of a simple and robust approach for creating electrical connections to silicon using reduced temperature (<200 degrees C substrate) soldering. This removes a significant hurdle to the fabrication of high performance, custom silicon piezoresistors. The approach focuses on reducing the resistance of diodes that are undergoing reverse bias behavior, commonly considered to be unacceptable for electrical connections. Reverse bias Schottky barrier analytical models based on quantum mechanical first principles are developed to explain how the behavior is affected by doping, soldering temperature, and geometry. This understanding is encapsulated within parametric models that enable rapid design and optimization of the electrical contacts to silicon. Using this model, one may design contacts for practical applications that do not require the conventional microfabrication processing or the high-temperature processing. Indium solder is found to be the best solder for this process, with ohmic contact resistances of approximate to 1 Omega-cm(2) for < 110 > p-type wafers at 10(17) cm(-3) doping. C1 [Panas, Robert M.; Culpepper, Martin L.] MIT, Dept Mech Engn, Cambridge, MA 02139 USA. RP Panas, RM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM panas3@llnl.gov; culpepper@mit.edu FU Massachusetts Institute of Technology, Cambridge, MA, USA [FA9550-05-C-0059]; U.S. Department of Defense, Air Force Office of Scientific Research, National Defense Science and Engineering Graduate Fellowship [32 CFR 168a]; Institutional Post-Doctoral Account [40362/ENG INST PD 25]; U.S. Department of Energy through the Lawrence Livermore National Laboratory, Livermore, CA, USA [DE-AC52-07NA27344 (LLNL-JRNL-655492)] FX This work was supported in part by the Massachusetts Institute of Technology, Cambridge, MA, USA, under Contract FA9550-05-C-0059, in part by the U.S. Department of Defense, Air Force Office of Scientific Research, National Defense Science and Engineering Graduate Fellowship under Grant 32 CFR 168a, in part by the Institutional Post-Doctoral Account under Grant 40362/ENG INST PD 25, and in part by the U.S. Department of Energy through the Lawrence Livermore National Laboratory, Livermore, CA, USA, under Contract DE-AC52-07NA27344 (LLNL-JRNL-655492). The review of this paper was arranged by Editor F. Ayazi. NR 39 TC 1 Z9 1 U1 2 U2 20 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9383 EI 1557-9646 J9 IEEE T ELECTRON DEV JI IEEE Trans. Electron Devices PD JUN PY 2015 VL 62 IS 6 BP 1977 EP 1983 DI 10.1109/TED.2015.2421413 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA CJ3TB UT WOS:000355405800044 ER PT J AU Oddershede, J Majkut, M Cao, QH Schmidt, S Wright, JP Kenesei, P Daniels, JE AF Oddershede, Jette Majkut, Marta Cao, Qinghua Schmidt, Soren Wright, Jonathan P. Kenesei, Peter Daniels, John E. TI Quantitative grain-scale ferroic domain volume fractions and domain switching strains from three-dimensional X-ray diffraction data SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article DE ferroic materials; domain volume fractions; grain-scale strain; three-dimensional X-ray diffraction ID POLYCRYSTALLINE MATERIALS; CRYSTALLOGRAPHIC TEXTURE; CONTRAST TOMOGRAPHY; MICROSCOPY; FERROELECTRICS; CERAMICS; ALGORITHM; COPPER; WALLS; TIME AB A method for the extension of the three-dimensional X-ray diffraction technique to allow the extraction of domain volume fractions in polycrystalline ferroic materials is presented. This method gives access to quantitative domain volume fractions of hundreds of independent embedded grains within a bulk sample. Such information is critical to furthering our understanding of the grain-scale interactions of ferroic domains and their influence on bulk properties. The method also provides a validation tool for mesoscopic ferroic domain modelling efforts. The mathematical formulations presented here are applied to tetragonal coarse-grained Ba0.88Ca0.12Zr0.06Ti0.94O3 and rhombohedral fine-grained (0.82)Bi0.5Na0.5TiO3-(0.18)Bi0.5K0.5TiO3 electroceramic materials. The fitted volume fraction information is used to calculate grain-scale non-180 degrees ferroelectric domain switching strains. The absolute errors are found to be approximately 0.01 and 0.03% for the tetragonal and rhombohedral cases, which had maximum theoretical domain switching strains of 0.47 and 0.54%, respectively. Limitations and possible extensions of the technique are discussed. C1 [Oddershede, Jette; Majkut, Marta; Schmidt, Soren] DTU Phys, NEXMAP, DK-2800 Lyngby, Denmark. [Cao, Qinghua; Daniels, John E.] UNSW Australia, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia. [Wright, Jonathan P.] European Synchrotron Radiat Facil, F-38043 Grenoble, France. [Kenesei, Peter] Adv Photon Source, Lemont, IL 60439 USA. RP Oddershede, J (reprint author), DTU Phys, NEXMAP, DK-2800 Lyngby, Denmark. EM jeto@fysik.dtu.dk RI Oddershede, Jette/A-3816-2013; Schmidt, Soren/B-1483-2010; Wright, Jonathan/A-4321-2010; Daniels, John/C-7497-2011 OI Oddershede, Jette/0000-0003-2319-7419; Schmidt, Soren/0000-0002-8694-2044; Wright, Jonathan/0000-0002-8217-0884; FU Danish Independent Research Council \ Technology and Production Sciences [12-127449]; Australian Research Council [DP120103968]; DOE Office of Science [DE-AC02-06CH11357]; Australian Institute of Nuclear Science and Engineering FX The authors acknowledge support from the Danish Independent Research Council vertical bar Technology and Production Sciences case No. 12-127449 and Australian Research Council Discovery Project DP120103968. The Danish Independent Research Council vertical bar Natural Sciences is acknowledged for covering expenses in relation to the synchrotron experiment (through Danscatt). This research used resources of the Advanced Photon Source, a US Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under contract No. DE-AC02-06CH11357. The European Synchrotron Radiation Facility (MA-1919) and Advanced Photon Source (GUP-32411) are acknowledged for granting beam-time for the experiments. JED acknowledges support from an Australian Institute of Nuclear Science and Engineering research fellowship. Finally the authors wish to thank Julia Glaum, UNSW Australia, and Wook Jo, UNIST, South Korea, for providing the sample materials for the current study. NR 42 TC 6 Z9 6 U1 1 U2 11 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 2015 VL 48 BP 882 EP 889 DI 10.1107/S1600576715007669 PN 3 PG 8 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CJ5WB UT WOS:000355562000030 ER PT J AU Jiang, Z AF Jiang, Zhang TI GIXSGUI: a MATLAB toolbox for grazing-incidence X-ray scattering data visualization and reduction, and indexing of buried three-dimensional periodic nanostructured films SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Software Review DE grazing-incidence X-ray scattering; periodic nanostructured film; indexing ID THIN-FILMS; RECIPROCAL-SPACE; POLARIZATION FACTOR; SURFACE-LAYERS; SOLAR-CELLS; Z-AXIS; ANGLE; DIFFRACTION; LORENTZ; DIFFRACTOMETER AB GIXSGUI is a MATLAB toolbox that offers both a graphical user interface and script-based access to visualize and process grazing-incidence X-ray scattering data from nanostructures on surfaces and in thin films. It provides routine surface scattering data reduction methods such as geometric correction, one-dimensional intensity linecut, two-dimensional intensity reshaping etc. Three-dimensional indexing is also implemented to determine the space group and lattice parameters of buried organized nanoscopic structures in supported thin films. C1 Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Jiang, Z (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zjiang@aps.anl.gov RI Jiang, Zhang/A-3297-2012 OI Jiang, Zhang/0000-0003-3503-8909 FU US Department of Energy (DOE) Office of Science; US DOE [DE-AC02-06CH11357] FX We express great gratitude to Dr Joseph Strzalka for very helpful discussions and to the users of Sector 8-ID-E for suggestions and input. We also thank Professor Rafael Verduzco for providing the data for Fig. 5, Professor Ting Xu for providing the data for Fig. 8 and Professor Darren Dunphy for providing the data for Fig. 9. This work and 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. NR 43 TC 21 Z9 21 U1 3 U2 11 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2015 VL 48 BP 917 EP 926 DI 10.1107/S1600576715004434 PN 3 PG 10 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CJ5WB UT WOS:000355562000036 ER PT J AU Mou, Q Benmore, CJ Yarger, JL AF Mou, Q. Benmore, C. J. Yarger, J. L. TI X-ray Intermolecular Structure Factor (XISF): separation of intra- and intermolecular interactions from total X-ray scattering data SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Software Review DE structure factors; X-ray scattering; MATLAB; optimization AB XISF is a MATLAB program developed to separate intermolecular structure factors from total X-ray scattering structure factors for molecular liquids and amorphous solids. The program is built on a trust-region-reflective optimization routine with the r.m.s. deviations of atoms physically constrained. XISF has been optimized for performance and can separate intermolecular structure factors of complex molecules. C1 [Mou, Q.; Benmore, C. J.; Yarger, J. L.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Mou, Q.; Yarger, J. L.] Arizona State Univ, Magnet Resonance Reearch Ctr, Tempe, AZ 85287 USA. [Benmore, C. J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Yarger, J. L.] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. RP Mou, Q (reprint author), Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. EM qmou1@asu.edu RI Yarger, Jeff/L-8748-2014; OI Yarger, Jeff/0000-0002-7385-5400; Benmore, Chris/0000-0001-7007-7749 FU DOE Office of Science [DE-AC02-06CH11357]; AFOSR [FA9550-14-1-0014]; NSF [DMR-1264801] FX This research used resources of the Advanced Photon Source, a US Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under contract No. DE-AC02-06CH11357. The authors would also like to thank AFOSR (FA9550-14-1-0014) and NSF (DMR-1264801) for supporting this work. NR 10 TC 1 Z9 1 U1 0 U2 6 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5767 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD JUN PY 2015 VL 48 BP 950 EP 952 DI 10.1107/S1600576715005518 PN 3 PG 3 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CJ5WB UT WOS:000355562000041 ER PT J AU Gao, YF Larson, BC Lee, JH Nicola, L Tischler, JZ Pharr, GM AF Gao, Y. F. Larson, B. C. Lee, J. H. Nicola, L. Tischler, J. Z. Pharr, G. M. TI Lattice Rotation Patterns and Strain Gradient Effects in Face-Centered-Cubic Single Crystals Under Spherical Indentation SO JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME LA English DT Article DE lattice misorientation; strain gradient crystal plasticity; indentation size effects ID CRYSTALLOGRAPHIC DISLOCATION DENSITY; RAY STRUCTURAL MICROSCOPY; WEDGE INDENTATION; CONVENTIONAL THEORY; SUBMICROMETER-RESOLUTION; NANO-INDENTATION; PLASTICITY MODEL; ELASTIC-MODULUS; LENGTH SCALE; DEFORMATION AB Strain gradient effects are commonly modeled as the origin of the size dependence of material strength, such as the dependence of indentation hardness on contact depth and spherical indenter radius. However, studies on the microstructural comparisons of experiments and theories are limited. First, we have extended a strain gradient Mises-plasticity model to its crystal plasticity version and implemented a finite element method to simulate the load-displacement response and the lattice rotation field of Cu single crystals under spherical indentation. The strain gradient simulations demonstrate that the forming of distinct sectors of positive and negative angles in the lattice rotation field is governed primarily by the slip geometry and crystallographic orientations, depending only weakly on strain gradient effects, although hardness depends strongly on strain gradients. Second, the lattice rotation simulations are compared quantitatively with micron resolution, three-dimensional X-ray microscopy (3DXM) measurements of the lattice rotation fields under 100mN force, 100 mu m radius spherical indentations in < 111 >, < 110 >, and < 001 > oriented Cu single crystals. Third, noting the limitation of continuum strain gradient crystal plasticity models, two-dimensional discrete dislocation simulation results suggest that the hardness in the nanocontact regime is governed synergistically by a combination of strain gradients and source-limited plasticity. However, the lattice rotation field in the discrete dislocation simulations is found to be insensitive to these two factors but to depend critically on dislocation obstacle densities and strengths. C1 [Gao, Y. F.; Pharr, G. M.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Gao, Y. F.; Larson, B. C.; Pharr, G. M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Lee, J. H.] Korea Atom Energy Res Inst, Res Reactor Mech Struct Design Div, Taejon 305353, South Korea. [Nicola, L.] Delft Univ Technol, Dept Mat Sci & Engn, NL-2628 CD Delft, Netherlands. [Tischler, J. Z.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Gao, YF (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM ygao7@utk.edu; lasonbc@ornl.gov RI Gao, Yanfei/F-9034-2010; Nicola, Lucia/B-7140-2008 OI Gao, Yanfei/0000-0003-2082-857X; FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; Korea Research Foundation; Dutch National Scientific Foundation NWO; Dutch Technology Foundation STW (VIDI Grant) [12669]; DOE Office of Science [DE-AC02-06CH11357] FX The financial support was provided by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division (Y.F.G., B.C.L., and G.M.P.). J.H.L. was partially supported by the Korea Research Foundation Grant during his postdoctoral stay at the University of Tennessee. L.N. was supported by the Dutch National Scientific Foundation NWO and Dutch Technology Foundation STW (VIDI Grant No. 12669). Use of the 34-ID beamline at the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Scientific User Facilities Division operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357 (JZT). Y.F.G. is grateful to A.F. Bower, A. Needleman, and J.W. Kysar for fruitful discussions on dislocation patterns, and to S. Qu and H. Jiang on the nonlocal finite element method. NR 77 TC 6 Z9 6 U1 1 U2 21 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0021-8936 EI 1528-9036 J9 J APPL MECH-T ASME JI J. Appl. Mech.-Trans. ASME PD JUN PY 2015 VL 82 IS 6 AR 061007 DI 10.1115/1.4030403 PG 10 WC Mechanics SC Mechanics GA CK1BY UT WOS:000355941600007 ER PT J AU Sepulveda-Medina, PM Katsenovich, YP Wellman, DM Lagos, LE AF Sepulveda-Medina, Paola M. Katsenovich, Yelena P. Wellman, Dawn M. Lagos, Leonel E. TI The effect of bicarbonate on the microbial dissolution of autunite mineral in the presence of gram-positive bacteria SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Autunite mineral; Arthrobacter sp; Aqueous bicarbonate; Radionuclides; Microscopy ID META-AUTUNITE; SUBSURFACE SEDIMENTS; COMPLEX-FORMATION; URANIUM; DIVERSITY; BIOFILMS; KINETICS; U(VI) AB Bacteria are key players in the processes that govern fate and transport of contaminants. The uranium release from Na and Ca-autunite by Arthrobacter oxydans strain G968 was evaluated in the presence of bicarbonate ions. This bacterium was. previously isolated from Hanford Site soil and in earlier pre-screening tests demonstrated low tolerance to U(VI) toxicity compared to other A. oxydans isolates. Experiments were conducted using glass serum bottles as mixed bioreactors and sterile 6-well cell culture plates with inserts separating bacteria cells from mineral solids. Reactors containing phosphorus-limiting media were amended with bicarbonate ranging between 0 and 10 mM and meta-autunite solids to provide a U(VI) concentration of 4.4 mmol/L. Results showed that in the presence of bicarbonate, A. oxydans G968 was able to enhance the release of U(VI) from Na and Ca autunite at the same capacity as other A. oxydans isolates with relatively high tolerance to U(VI). The effect of bacterial strains on autunite dissolution decreases as the concentration of bicarbonate increases. The results illustrate that direct interaction between the bacteria and the mineral is not necessary to result in U(VI) biorelease from autunite. The formation of secondary calcium-phosphate mineral phases on the surface of the mineral during the dissolution can ultimately reduce the natural autunite mineral contact area, which bacterial cells can access. This thereby reduces the concentration of uranium released into the solution. This study provides a better understanding of the interactions between meta-autunite and microbes in conditions mimicking arid and semiarid subsurface environments of western U.S. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Sepulveda-Medina, Paola M.; Katsenovich, Yelena P.; Lagos, Leonel E.] Florida Int Univ, Appl Res Ctr, Miami, FL 33174 USA. [Sepulveda-Medina, Paola M.] Florida Int Univ, Dept Biomed Engn, Miami, FL 33174 USA. [Wellman, Dawn M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Katsenovich, YP (reprint author), Florida Int Univ, Appl Res Ctr, 10555 W Flagler St, Miami, FL 33174 USA. EM katsenov@fiu.edu FU U.S. DOE [DE-EM0000598] FX Funding for this research was provided by U.S. DOE grant number DE-EM0000598. We would like to thank Dr. Patricia Sobecky and Dr. Robert J. Martinez from the Univ. of Alabama, Tuscaloosa, AL, for providing us with the Arthrobacter sp. strains and to acknowledge Robert Lapierre, DOE Fellow from the FIU Chemistry Department, and Tom Beasley from the FIU FCAEM for their assistance with the SEM/EDS analysis. We are grateful to Dr. Brady Lee of Pacific Northwest National Laboratory (PNNL) for reviewing the manuscript and providing valuable comments and suggestions. NR 43 TC 1 Z9 1 U1 2 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0265-931X EI 1879-1700 J9 J ENVIRON RADIOACTIV JI J. Environ. Radioact. PD JUN PY 2015 VL 144 BP 77 EP 85 DI 10.1016/j.jenvrad.2015.03.002 PG 9 WC Environmental Sciences SC Environmental Sciences & Ecology GA CJ4ZN UT WOS:000355497300012 PM 25827574 ER PT J AU Crane, MJ Pauzauskie, PJ AF Crane, Matthew J. Pauzauskie, Peter J. TI Mass Transport in Nanowire Synthesis: An Overview of Scalable Nanomanufacturing SO JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY LA English DT Article DE Nanowire; Mass transport; Modeling; Scalable growth ID LIQUID-SOLID NANOWIRE; SHAPE-CONTROLLED SYNTHESIS; MOLECULAR-BEAM EPITAXY; WET CHEMICAL SYNTHESIS; SI WIRE ARRAYS; SILICON NANOWIRES; ORIENTED ATTACHMENT; ASPECT-RATIO; SEMICONDUCTOR NANOWIRES; AXIAL HETEROJUNCTIONS AB The ability to rationally engineer the growth and nanomanufacturing of one-dimensional nanowires in high volumes has the potential to enable applications of nanoscale materials in a diverse range of fields including energy conversion and storage, catalysis, sensing, medicine, and information technology. This review provides a roadmap for the development of large-scale nanowire processing. While myriad techniques exist for bench-scale nanowire synthesis, these growth strategies typically fall within two major categories: 1) anisotropically-catalyzed growth and 2) confined, template-based growth. However, comparisons between growth methods with different mass transport pathways have led to confusion in interpreting observations, in particular Gibbs-Thomson effects. We review mass transport in nanowire synthesis techniques to unify growth models and to allow for direct comparison of observations across different methods. In addition, we discuss the applicability of nanoscale, Gibbs-Thomson effects on mass transport and provide guidelines for the development of new growth models. We explore the scalability of these complex processes with dimensionless numbers and consider the effects of pressure, temperature, and precursor material on nanowire growth. Copyright (C) 2015, The editorial office of Journal of Materials Science & Technology. Published by Elsevier Limited. All rights reserved. C1 [Crane, Matthew J.] Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. [Pauzauskie, Peter J.] Dept Mat Sci & Engn, Seattle, WA 98195 USA. [Pauzauskie, Peter J.] Pacific NW Natl Lab, Fundamental Computat Sci Directorate, Richland, WA 99352 USA. RP Pauzauskie, PJ (reprint author), Dept Mat Sci & Engn, Seattle, WA 98195 USA. EM peterpz@uw.edu FU National Defense Science & Engineering Graduate Research Fellowship; ACS Petroleum Research Fund [52582-DNI10]; UW Royalty Research Fund (RRF); Air Force Office of Scientific Research [FA95501210400] FX The authors thank E.J. Davis for thoughtful discussions and comments. M.J.C. would like to thank Amy Dixon for figure design and the Department of Defense (DoD) for support from a National Defense Science & Engineering Graduate Research Fellowship. P.J.P. would like to acknowledge support from the ACS Petroleum Research Fund (#52582-DNI10), UW Royalty Research Fund (RRF), and a Young Investigator Award from the Air Force Office of Scientific Research (Contract #FA95501210400). NR 116 TC 0 Z9 0 U1 6 U2 45 PU JOURNAL MATER SCI TECHNOL PI SHENYANG PA 72 WENHUA RD, SHENYANG 110015, PEOPLES R CHINA SN 1005-0302 J9 J MATER SCI TECHNOL JI J. Mater. Sci. Technol. PD JUN PY 2015 VL 31 IS 6 BP 523 EP 532 DI 10.1016/j.jmst.2015.01.009 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CJ5UJ UT WOS:000355556100001 ER PT J AU Yuan, B Cademartiri, L AF Yuan, Bin Cademartiri, Ludovico TI Flexible One-Dimensional Nanostructures: A Review SO JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY LA English DT Review DE Flexibility; One dimension; Nanostructures; Methodology ID PROTECTED METAL NANOPARTICLES; SCANNING-TUNNELING-MICROSCOPY; EXTERNAL MAGNETIC-FIELD; ORIENTED ATTACHMENT; GOLD NANOPARTICLES; SPHERICAL COLLOIDS; DIPOLAR CHAINS; ELECTRIC-FIELD; QUANTUM DOTS; AU NANOWIRES AB This review discusses the recent reports on one-dimensional (1D) nanostructures with unusual flexibility. We discuss the importance that flexibility could have in future applications of nanowires and other nanostructures, and detail the two main approaches that have been followed to this day to synthesize highly flexible 1D nanostructures. One approach is based on making crystals in which one or two dimensions of the structure are comparable in size with the unit cell. Such thinness has been shown to provide unusual flexibility. The other approach conjoins hard nanostructures with flexible joints. Copyright (C) 2015, The editorial office of Journal of Materials Science & Technology. Published by Elsevier Limited. All rights reserved. C1 [Yuan, Bin; Cademartiri, Ludovico] Iowa State Univ Sci & Technol, Dept Chem & Biol Engn, Ames, IA 50011 USA. [Cademartiri, Ludovico] Iowa State Univ Sci & Technol, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Cademartiri, Ludovico] Ames Lab, US Dept Energy, Ames, IA 50011 USA. RP Cademartiri, L (reprint author), Iowa State Univ Sci & Technol, Dept Chem & Biol Engn, Sweeney Hall, Ames, IA 50011 USA. EM lcademar@iastate.edu RI Cademartiri, Ludovico/A-4142-2008 OI Cademartiri, Ludovico/0000-0001-8805-9434 FU Iowa State University of Science and Technology through startup funds FX This work was supported by Iowa State University of Science and Technology through startup funds. NR 107 TC 7 Z9 7 U1 13 U2 97 PU JOURNAL MATER SCI TECHNOL PI SHENYANG PA 72 WENHUA RD, SHENYANG 110015, PEOPLES R CHINA SN 1005-0302 J9 J MATER SCI TECHNOL JI J. Mater. Sci. Technol. PD JUN PY 2015 VL 31 IS 6 BP 607 EP 615 DI 10.1016/j.jmst.2014.11.015 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CJ5UJ UT WOS:000355556100009 ER PT J AU Muller, HSP Brown, LR Drouin, BJ Pearson, JC Kleiner, I Sams, RL Sung, K Ordu, MH Lewen, F AF Mueller, Holger S. P. Brown, Linda R. Drouin, Brian J. Pearson, John C. Kleiner, Isabelle Sams, Robert L. Sung, Keeyoon Ordu, Matthias H. Lewen, Frank TI Rotational spectroscopy as a tool to investigate interactions between vibrational polyads in symmetric top molecules: Low-lying states v(8) <= 2 of methyl cyanide, CH3CN SO JOURNAL OF MOLECULAR SPECTROSCOPY LA English DT Article DE Rotational spectroscopy; Infrared spectroscopy; Vibration-rotation interaction; Methyl cyanide; Interstellar molecule ID SPECTRAL-LINE CATALOG; ETHYL CYANIDE; GROUND-STATE; INTERSTELLAR-MEDIUM; HIGH-RESOLUTION; SAGITTARIUS B2(N); INFRARED-SPECTRUM; COLOGNE DATABASE; EXCITED-STATES; WAVE SPECTRUM AB Rotational and rovibrational spectra of methyl cyanide were recorded to analyze interactions in low-lying vibrational states and to construct line lists for radio astronomical observations as well as for infrared spectroscopic investigations of planetary atmospheres. The rotational spectra cover large portions of the 36-1627 GHz region. In the infrared (IR), a spectrum was recorded for this study in the region of 2v(8) around 717 cm(-1) with assignments covering 684-765 cm-1. Additional spectra in the vs region were used to validate the analysis. Information on the K level structure of CH3CN is almost exclusively obtained from IR spectra, as are basics of the J level structure. The large amount and the high accuracy of the rotational data improves knowledge of the J level structure considerably. Moreover, since these data extend to much higher and K quantum numbers, they allowed us to investigate for the first time in depth local interactions between these states which occur at high K values. In particular, we have detected several interactions between v(8) = 1 and 2. Notably, there is a strong Delta v(8) = +/- 1, Delta K = 0, Delta l = +/- 3 Fermi resonance between v(8) = 1(-1) and v(8) = 2(+2) at K = 14. Pronounced effects in the spectrum are also caused by resonant Delta v(8) = +/- 1, Delta K = -/+ 2, Delta l = +/- 1 interactions between v(8) = 1 and 2 at K = 13, l = 1/K = 11, l = 0 and at K = 15, l = +1/K = 13, l = +2. An equivalent resonant interaction occurs between K = 14 of the ground vibrational state and K = 12, l = +1 of v(8) = 1 for which we present the first detailed account. A preliminary account was given in an earlier study on the ground vibrational state. Similar resonances were found for CH3CCH and, more recently, for CH3NC, warranting comparison of the results. From data pertaining to v(8) = 2, we also investigated rotational interactions with v(4) = 1 as well as Delta v(8) = +/- 1, Delta K = 0, Delta l = +/- 3 Fermi interactions between v(8) = 2 and 3. We have derived N-2- and self-broadening coefficients for the v(8), 2v(8) - v(8), and 2v(8) bands from previously determined v(4) values. Subsequently, we determined transition moments and intensities for the three IR bands. (C) 2015 Elsevier Inc. All rights reserved. C1 [Mueller, Holger S. P.; Ordu, Matthias H.; Lewen, Frank] Univ Cologne, Inst Phys 1, D-50937 Cologne, Germany. [Brown, Linda R.; Drouin, Brian J.; Pearson, John C.; Sung, Keeyoon] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Kleiner, Isabelle] Univ Paris Est Creteil & Paris Diderot, LISA, Inst Pierre Simon Laplace, CNRS,UMR 7583, F-94010 Creteil, France. [Sams, Robert L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Muller, HSP (reprint author), Univ Cologne, Inst Phys 1, Zulpicher Str 77, D-50937 Cologne, Germany. EM hspm@ph1.uni-koeln.de RI Sung, Keeyoon/I-6533-2015; OI Mueller, Holger/0000-0002-0183-8927 FU Bundesministerium fur Bildung und Forschung (BMBF) [FKZ 50OF0901]; Deutsche Forschungsgemeinschaft (DFG) [SFB 494, SFB 956]; Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory (PNNL); United States Department of Energy [DE-AC05-76RLO1830] FX H.S.P.M. is grateful to the Bundesministerium fur Bildung und Forschung (BMBF) for financial support through project FKZ 50OF0901 (ICC HIFI Herschel) during part of the present investigation. The measurements in Koln were supported by the Deutsche Forschungsgemeinschaft (DFG) through the collaborative research grants SFB 494 initially, and later SFB 956, project area B3. The portion of this work, which was carried out at the Jet Propulsion Laboratory, California Institute of Technology, was performed under contract with the National Aeronautics and Space Administration. The infrared spectra analyzed in the present study were recorded at the W.R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory (PNNL). PNNL is operated for the United States Department of Energy by the Battelle Memorial Institute under Contract DE-AC05-76RLO1830. NR 86 TC 7 Z9 7 U1 3 U2 14 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-2852 EI 1096-083X J9 J MOL SPECTROSC JI J. Mol. Spectrosc. PD JUN PY 2015 VL 312 BP 22 EP 37 DI 10.1016/j.jms.2015.02.009 PG 16 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA CJ6XR UT WOS:000355639000004 ER PT J AU Maki, A Price, JE Harzan, J Nibler, JW Weber, A Masiello, T Blake, TA AF Maki, A. Price, J. E. Harzan, J. Nibler, J. W. Weber, A. Masiello, T. Blake, T. A. TI Analysis of several high-resolution infrared bands of spiropentane, C5H8 SO JOURNAL OF MOLECULAR SPECTROSCOPY LA English DT Article DE Spiropentane; High-resolution infrared spectrum; Rovibrational constants; DFT study; Anharmonic frequencies ID SPECTRA; MOLECULES AB The high-resolution infrared absorption spectrum of spiropentane (C5H8) has been measured from 200 to 4000 cm(-1), and a detailed analysis is presented for eight bands in the region from 700 to 2200 cm(-1). Two fundamental perpendicular bands were analyzed, v(22) and v(24) near 1050 and 780 cm(-1), respectively, along with two fundamental parallel bands, v(14) and v(16) near 1540 and 990 cm(-1), respectively. Two other fundamentals, v(17) and v(23), are seen as intense overlapping bands near 880 cm(-1) and are Coriolis-coupled, producing a complex mixture in which only P-branch transitions could be tentatively assigned for v(17). In addition, three binary combination bands were fit at about 1570, 2082, and 2098 cm(-1) which are assigned as either 2v(24) or v(5) + v(16) in the first case, v(4) + v(22) in the second case, and 2v(22) in the latter case. The two l-type resonance constants, q(+) and q(-), were determined for each of the two perpendicular fundamentals v(22) and v(24). Those two constants were also responsible for splittings observed in the K = 3 levels of v(24). For the ground state the order of the split K = 2 B-1/B-2 levels has been reversed from that reported previously, based on the measurements and assignments for the v(24) band. Rovibrational parameters deduced from the analyses are compared with those obtained from density functional Gaussian calculations at the anharmonic level. (C) 2015 Elsevier Inc. All rights reserved. C1 [Price, J. E.; Harzan, J.; Nibler, J. W.] Oregon State Univ, Dept Chem, Corvallis, OR 97332 USA. [Weber, A.] NIST, Sensor Sci Div, Gaithersburg, MD 20899 USA. [Masiello, T.] Eastern Washington Univ, Dept Chem & Biochem, Cheney, WA 99004 USA. [Blake, T. A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Nibler, JW (reprint author), Oregon State Univ, Dept Chem, Corvallis, OR 97332 USA. EM Niblerj@chem.orst.edu FU Camille and Henry Dreyfus Senior Scientist Mentor Award; Department of Energy's Office of Biological and Environmental Research; United States Department of Energy [DE-AC05-76RLO 1830] FX J. Nibler acknowledges a Camille and Henry Dreyfus Senior Scientist Mentor Award which provided support of undergraduates Joseph Price and Jared Harzan. The infrared spectra were recorded at the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the United States Department of Energy by the Battelle Memorial Institute under contract DE-AC05-76RLO 1830. We thank Robert Sams of PNNL for helpful advice and assistance in recording the infrared spectra of spiropentane at this facility. NR 18 TC 2 Z9 2 U1 0 U2 2 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-2852 EI 1096-083X J9 J MOL SPECTROSC JI J. Mol. Spectrosc. PD JUN PY 2015 VL 312 BP 68 EP 77 DI 10.1016/j.jms.2015.03.013 PG 10 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA CJ6XR UT WOS:000355639000010 ER PT J AU Capozzi, B Xia, JL Adak, O Dell, EJ Liu, ZF Taylor, JC Neaton, JB Campos, LM Venkataraman, L AF Capozzi, Brian Xia, Jianlong Adak, Olgun Dell, Emma J. Liu, Zhen-Fei Taylor, Jeffrey C. Neaton, Jeffrey B. Campos, Luis M. Venkataraman, Latha TI Single-molecule diodes with high rectification ratios through environmental control SO NATURE NANOTECHNOLOGY LA English DT Article ID ELECTRON-TRANSPORT; JUNCTIONS; CONDUCTANCE; RECTIFIERS AB Molecular electronics aims to miniaturize electronic devices by using subnanometre-scale active components(1-3). A single-molecule diode, a circuit element that directs current flow(4), was first proposed more than 40 years ago(5) and consisted of an asymmetric molecule comprising a donor-bridge-acceptor architecture to mimic a semiconductor p-n junction. Several singlemolecule diodes have since been realized in junctions featuring asymmetric molecular backbones(6-8), molecule-electrode linkers(9) or electrode materials(10). Despite these advances, molecular diodes have had limited potential for applications due to their low conductance, low rectification ratios, extreme sensitivity to the junction structure and high operating voltages(7-9,11,12). Here, we demonstrate a powerful approach to induce current rectification in symmetric single-molecule junctions using two electrodes of the same metal, but breaking symmetry by exposing considerably different electrode areas to an ionic solution. This allows us to control the junction's electrostatic environment in an asymmetric fashion by simply changing the bias polarity. With this method, we reliably and reproducibly achieve rectification ratios in excess of 200 at voltages as low as 370 mV using a symmetric oligomer of thiophene-1,1dioxide(13,14). By taking advantage of the changes in the junction environment induced by the presence of an ionic solution, this method provides a general route for tuning nonlinear nanoscale device phenomena, which could potentially be applied in systems beyond single-molecule junctions. C1 [Capozzi, Brian; Adak, Olgun; Taylor, Jeffrey C.; Venkataraman, Latha] Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Xia, Jianlong; Dell, Emma J.; Campos, Luis M.; Venkataraman, Latha] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Liu, Zhen-Fei; Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Neaton, Jeffrey B.] Kavli Energy NanoSci Inst Berkeley, Berkeley, CA 94720 USA. RP Neaton, JB (reprint author), Univ Calif Berkeley, Dept Phys, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM jbneaton@lbl.gov; lcampos@columbia.edu; lv2117@columbia.edu RI Xia, Jianlong/I-9076-2012; Neaton, Jeffrey/F-8578-2015; Foundry, Molecular/G-9968-2014; Liu, Zhenfei/D-8980-2017; OI Neaton, Jeffrey/0000-0001-7585-6135; Venkataraman, Latha/0000-0002-6957-6089 FU National Science Foundation [DMR-1206202]; HHMI; American Australian Association; Molecular Foundry; NSF [DMR-1122594]; Packard Foundation; Dow Chemical Company; Materials Sciences and Engineering Division (Theory FWP), US Department of Energy, Office of Basic Energy Sciences [DE-AC02-05CH11231] FX The authors thank M. Hybertsen and M. Steigerwald for discussions. The experimental work was supported primarily by the National Science Foundation (award no. DMR-1206202). E.J.D. acknowledges the HHMI, the American Australian Association and Dow Chemical Company for International Research Fellowships. The computational work was supported by the Molecular Foundry, and by the Materials Sciences and Engineering Division (Theory FWP), US Department of Energy, Office of Basic Energy Sciences (contract no. DE-AC02-05CH11231). Portions of the computation work were performed at National Energy Research Scientific Computing Center. O.A. acknowledges support from the NSF (award no. DMR-1122594). L.V. thanks the Packard Foundation for support. NR 34 TC 60 Z9 60 U1 23 U2 113 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 2015 VL 10 IS 6 BP 522 EP U101 DI 10.1038/NNANO.2015.97 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CJ6RC UT WOS:000355620000014 PM 26005998 ER PT J AU Chun, SH Kim, JW Kim, J Zheng, H Stoumpos, CC Malliakas, CD Mitchell, JF Mehlawat, K Singh, Y Choi, Y Gog, T Al-Zein, A Sala, MM Krisch, M Chaloupka, J Jackeli, G Khaliullin, G Kim, BJ AF Chun, Sae Hwan Kim, Jong-Woo Kim, Jungho Zheng, H. Stoumpos, Constantinos C. Malliakas, C. D. Mitchell, J. F. Mehlawat, Kavita Singh, Yogesh Choi, Y. Gog, T. Al-Zein, A. Sala, M. Moretti Krisch, M. Chaloupka, J. Jackeli, G. Khaliullin, G. Kim, B. J. TI Direct evidence for dominant bond-directional interactions in a honeycomb lattice iridate Na2IrO3 SO NATURE PHYSICS LA English DT Article AB Heisenberg interactions are ubiquitous in magnetic materials and play a central role in modelling and designing quantum magnets. Bond-directional interactions(1-3) offer a novel alternative to Heisenberg exchange and provide the building blocks of the Kitaev model(4), which has a quantum spin liquid as its exact ground state. Honeycomb iridates, A(2)IrO(3) (A = Na, Li), offer potential realizations of the Kitaev magnetic exchange coupling, and their reported magnetic behaviour may be interpreted within the Kitaev framework. However, the extent of their relevance to the Kitaev model remains unclear, as evidence for bond-directional interactions has so far been indirect. Herewe present direct evidence for dominant bond-directional interactions in antiferromagnetic Na2IrO3 and show that they lead to strong magnetic frustration. Diffuse magnetic X-ray scattering reveals broken spin-rotational symmetry even above the Neel temperature, with the three spin components exhibiting short-range correlations along distinct crystallographic directions. This spin- and real-space entanglement directly uncovers the bond-directional nature of these interactions, thus providing a direct connection between honeycomb iridates and Kitaev physics. C1 [Chun, Sae Hwan; Zheng, H.; Stoumpos, Constantinos C.; Malliakas, C. D.; Mitchell, J. F.; Krisch, M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Kim, Jong-Woo; Kim, Jungho; Choi, Y.; Gog, T.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Mehlawat, Kavita; Singh, Yogesh] Indian Inst Sci Educ & Res IISER Mohali, Mohali 140306, India. [Al-Zein, A.; Sala, M. Moretti; Krisch, M.] European Synchrotron Radiat Facil, F-38043 Grenoble, France. [Chaloupka, J.] Masaryk Univ, Cent European Inst Technol, CS-61137 Brno, Czech Republic. [Jackeli, G.; Khaliullin, G.; Kim, B. J.] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany. [Jackeli, G.] Univ Stuttgart, Inst Funct Matter & Quantum Technol, D-70569 Stuttgart, Germany. RP Kim, BJ (reprint author), Max Planck Inst Solid State Res, Heisenbergstr 1, D-70569 Stuttgart, Germany. EM bjkim@fkf.mpg.de RI singh, yogesh/F-7160-2016; Moretti Sala, Marco/H-1034-2014; Chaloupka, Jiri/I-3636-2014; OI Moretti Sala, Marco/0000-0002-9744-9976; Stoumpos, Constantinos/0000-0001-8396-9578 FU US Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division; US DOE [DE-AC02-06CH11357]; UGC-CSIR, India; DST, India [SR/S2/RJN-76/2010]; DST [SB/S2/CMP-001/2013]; ERDF under project CEITEC [CZ.1.05/1.1.00/02.0068]; EC 7th Framework Programme [286154/SYLICA] FX Work in the Materials Science Division of Argonne National Laboratory (sample preparation, characterization, and contributions to data analysis) was supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. 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. K.M. acknowledges support from UGC-CSIR, India. Y.S. acknowledges DST, India for support through Ramanujan Grant #SR/S2/RJN-76/2010 and through DST grant #SB/S2/CMP-001/2013. J.C. was supported by ERDF under project CEITEC (CZ.1.05/1.1.00/02.0068) and EC 7th Framework Programme (286154/SYLICA). NR 33 TC 52 Z9 52 U1 17 U2 77 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 2015 VL 11 IS 6 BP 462 EP U183 DI 10.1038/NPHYS3322 PG 6 WC Physics, Multidisciplinary SC Physics GA CJ5TK UT WOS:000355552200010 ER PT J AU You, YM Zhang, XX Berkelbach, TC Hybertsen, MS Reichman, DR Heinz, TF AF You, Yumeng Zhang, Xiao-Xiao Berkelbach, Timothy C. Hybertsen, Mark S. Reichman, David R. Heinz, Tony F. TI Observation of biexcitons in monolayer WSe2 SO NATURE PHYSICS LA English DT Article ID METAL DICHALCOGENIDE SEMICONDUCTOR; GAAS QUANTUM-WELL; MOLYBDENUM-DISULFIDE; VALLEY POLARIZATION; CHARGED EXCITONS; BINDING-ENERGY; MOS2; PHOTOLUMINESCENCE; GENERATION AB Transition metal dichalcogenide (TMDC) crystals exhibit new emergent properties at monolayer thickness(1,2), notably strong many-body effects mediated by Coulomb interactions(3-6). A manifestation of these many-body interactions is the formation of excitons, bound electron-hole pairs, but higher-order excitonic states are also possible. Here we demonstrate the existence of four-body, biexciton states in monolayer WSe2. The biexciton is identified as a sharply defined state in photoluminescence at high exciton density. Its binding energy of 52 meV is more than an order of magnitude greater than that found in conventional quantum-well structures(7). A variational calculation of the biexciton state reveals that the high binding energy arises not only from strong carrier confinement, but also from reduced and non-local dielectric screening. These results open the way for the creation of new correlated excitonic states linking the degenerate valleys in TMDC crystals, as well as more complex many-body states such as exciton condensates or the recently reported dropletons(8). C1 [You, Yumeng] Southeast Univ, Ordered Matter Sci Res Ctr, Nanjing 211189, Jiangsu, Peoples R China. [You, Yumeng; Zhang, Xiao-Xiao; Heinz, Tony F.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [You, Yumeng; Zhang, Xiao-Xiao; Heinz, Tony F.] Columbia Univ, Dept Elect Engn, New York, NY 10027 USA. [Berkelbach, Timothy C.; Reichman, David R.] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Hybertsen, Mark S.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Heinz, TF (reprint author), Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. EM tony.heinz@stanford.edu RI You, YuMeng/B-5601-2013; Heinz, Tony/K-7797-2015; You, YuMeng/C-6821-2016; OI Heinz, Tony/0000-0003-1365-9464; Hybertsen, Mark S/0000-0003-3596-9754 FU National Science Foundation [DMR-1106172, DMR-1122594]; Keck Foundation; Honda Research Institute; AMOS program, Chemical Sciences, Geosciences, and Biosciences Division, Basic Energy Sciences, US Department of Energy [DE-AC02-76-SFO0515]; US Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors would like to acknowledge valuable discussions with A. Chernikov and T. Cao and technical assistance from Y. Rao and F. Zhang. The experimental research was supported by the National Science Foundation through grants DMR-1106172 and DMR-1122594, the Keck Foundation, and the Honda Research Institute. Support for data analysis by was provided by the AMOS program, Chemical Sciences, Geosciences, and Biosciences Division, Basic Energy Sciences, US Department of Energy under Contract No. DE-AC02-76-SFO0515 (T.F.H.). This work 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, under Contract No. DE-AC02-98CH10886 (M.S.H.). NR 40 TC 76 Z9 76 U1 32 U2 186 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 2015 VL 11 IS 6 BP 477 EP U138 DI 10.1038/NPHYS3324 PG 6 WC Physics, Multidisciplinary SC Physics GA CJ5TK UT WOS:000355552200013 ER PT J AU Gutmanas, A Adams, PD Bardiaux, B Berman, HM Case, DA Fogh, RH Guntert, P Hendrickx, PMS Herrmann, T Kleywegt, GJ Kobayashi, N Lange, OF Markley, JL Montelione, GT Nilges, M Ragan, TJ Schwieters, CD Tejero, R Ulrich, EL Velankar, S Vranken-, WF Wedell, JR Westbrook, J Wishart, DS Vuister, GW AF Gutmanas, Aleksandras Adams, Paul D. Bardiaux, Benjamin Berman, Helen M. Case, David A. Fogh, Rasmus H. Guentert, Peter Hendrickx, Pieter M. S. Herrmann, Torsten Kleywegt, Gerard J. Kobayashi, Naohiro Lange, Oliver F. Markley, John L. Montelione, Gaetano T. Nilges, Michael Ragan, Timothy J. Schwieters, Charles D. Tejero, Roberto Ulrich, Eldon L. Velankar, Sameer Vranken-, Wim F. Wedell, Jonathan R. Westbrook, John Wishart, David S. Vuister, Geerten W. TI NMR Exchange Format: a unified and open standard for representation of NMR restraint data SO NATURE STRUCTURAL & MOLECULAR BIOLOGY LA English DT Letter ID PROTEIN DATA-BANK; WWPDB; FILE C1 [Gutmanas, Aleksandras; Hendrickx, Pieter M. S.; Kleywegt, Gerard J.; Velankar, Sameer] European Bioinformat Inst, European Mol Biol Lab, Protein Data Bank Europe, Cambridge, England. [Adams, Paul D.] Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA USA. [Bardiaux, Benjamin; Nilges, Michael] Inst Pasteur, Unite Bioinformat Struct, Dept Biol Struct & Chim, Paris, France. [Bardiaux, Benjamin; Nilges, Michael] CNRS, Unite Mixte Rech 3528, Paris, France. [Berman, Helen M.; Case, David A.; Westbrook, John] Rutgers State Univ, Ctr Integrat Prote Res, Dept Chem & Chem Biol, Piscataway, NJ USA. [Fogh, Rasmus H.; Ragan, Timothy J.; Vuister, Geerten W.] Univ Leicester, Dept Biochem, Leicester LE1 7RH, Leics, England. [Guentert, Peter] Goethe Univ Frankfurt, Frankfurt Inst Adv Studies, Inst Biophys Chem, D-60054 Frankfurt, Germany. [Guentert, Peter] Tokyo Metropolitan Univ, Grad Sch Sci & Engn, Tokyo 158, Japan. [Guentert, Peter] ETH, Phys Chem, Zurich, Switzerland. [Herrmann, Torsten] Ecole Normale Super Lyon, Ctr Resonance Magnet Nucl Tres Hauts Champs, Villeurbanne, France. [Herrmann, Torsten] CNRS, Unite Mixte Rech 5280, Inst Sci Analyt, Villeurbanne, France. [Kobayashi, Naohiro] Osaka Univ, Inst Prot Res, Osaka, Japan. [Lange, Oliver F.] Tech Univ Munich, Biomol NMR, Munich Ctr Integrated Prot Sci, Dept Chem, Garching, Germany. [Markley, John L.; Ulrich, Eldon L.] Univ Wisconsin, Dept Biochem, Madison, WI 53705 USA. [Montelione, Gaetano T.] Rutgers State Univ, Dept Mol Biol & Biochem, Ctr Adv Biotechnol & Med, Piscataway, NJ USA. [Montelione, Gaetano T.] Rutgers State Univ, Robert Wood Johnson Med Sch, Dept Biochem & Mol Biol, Piscataway, NJ 08854 USA. [Schwieters, Charles D.] NIH, Div Computat Biosci, Ctr Informat Technol, Bethesda, MD 20892 USA. [Tejero, Roberto] Univ Valencia, Dept Quim Fis, Valencia, Spain. [Vranken-, Wim F.] Vlaams Inst Biotechnol, Struct Biol Res Ctr, Brussels, Belgium. [Vranken-, Wim F.] Vrije Univ Brussel, Struct Biol Brussels, Brussels, Belgium. [Vranken-, Wim F.] Univ Libre Bruxelles, Vrije Univ Brussel, Interuniv Inst Bioinformat Brussels, Brussels, Belgium. [Wishart, David S.] Univ Alberta, Dept Comp Sci, Edmonton, AB, Canada. [Wishart, David S.] Univ Alberta, Dept Biol Sci, Edmonton, AB, Canada. RP Vuister, GW (reprint author), Univ Leicester, Dept Biochem, Leicester LE1 7RH, Leics, England. EM gutmanas@ebi.ac.uk; gv29@le.ac.uk RI Nilges, Michael/E-4803-2011; Herrmann, Torsten/B-9978-2008; Adams, Paul/A-1977-2013; Tejero Toquero, Roberto/F-5104-2016; Vranken, Wim/J-5051-2016; Guntert, Peter/L-5577-2013; Fachbereich14, Dekanat/C-8553-2015 OI Nilges, Michael/0000-0002-1451-8092; Wishart, David S/0000-0002-3207-2434; Herrmann, Torsten/0000-0003-2115-4781; Adams, Paul/0000-0001-9333-8219; Tejero Toquero, Roberto/0000-0003-2504-5988; Vranken, Wim/0000-0001-7470-4324; Guntert, Peter/0000-0002-2911-7574; FU Biotechnology and Biological Sciences Research Council [BB/E005071/1, BB/J007471, BB/J007897/1, BB/K021249/1]; Intramural NIH HHS; Medical Research Council [MR/L000555/1]; NIGMS NIH HHS [P01 GM063210, R01 GM109046, R01GM109046]; NLM NIH HHS [P41 LM005799, P41LM05799]; Wellcome Trust [088944] NR 9 TC 2 Z9 2 U1 2 U2 14 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 2015 VL 22 IS 6 BP 433 EP 434 PG 2 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA CJ6RI UT WOS:000355620600001 PM 26036565 ER PT J AU Yang, B Stjepanovic, G Shen, QT Martin, A Hurley, JH AF Yang, Bei Stjepanovic, Goran Shen, Qingtao Martin, Andreas Hurley, James H. TI Vps4 disassembles an ESCRT-III filament by global unfolding and processive translocation SO NATURE STRUCTURAL & MOLECULAR BIOLOGY LA English DT Article ID AAA ATPASE VPS4; EXCHANGE MASS-SPECTROMETRY; STRUCTURAL BASIS; MEMBRANE DEFORMATION; PORE LOOPS; PROTEIN; MACHINE; COMPLEX; AUTOINHIBITION; RECOGNITION AB The AAA+ ATPase Vps4 disassembles ESCRT-III and is essential for HIV-1 budding and other pathways. Vps4 is a paradigmatic member of a class of hexameric AAA+ ATPases that disassemble protein complexes without degradation. To distinguish between local displacement versus global unfolding mechanisms for complex disassembly, we carried out hydrogen/deuterium exchange during Saccharomyces cerevisiae Vps4 disassembly of a chimeric Vps24-2 ESCRT-III filament. EX1 exchange behavior shows that Vps4 completely unfolds ESCRT-III substrates on a time scale consistent with the disassembly reaction. The established unfoldase ClpX showed the same pattern, thus demonstrating a common unfolding mechanism. Vps4 hexamers containing a single cysteine residue in the pore loops were cross-linked to ESCRT-III subunits containing unique cysteines within the folded core domain. These data support a mechanism in which Vps4 disassembles its substrates by completely unfolding them and threading them through the central pore. C1 [Yang, Bei; Stjepanovic, Goran; Shen, Qingtao; Martin, Andreas; Hurley, James H.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Hurley, James H.] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. RP Hurley, JH (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM jimhurley@berkeley.edu RI Stjepanovic, Goran/A-7902-2010 OI Stjepanovic, Goran/0000-0002-4841-9949 FU US National Institutes of Health [R01AI112442, R01GM094497] FX We thank K. Nyquist (University of California, Berkeley) for samples of Escherichia coli ClpX and ClpP. This work was supported by grants R01AI112442 (J.H.H.) and R01GM094497 (A.M.) from the US National Institutes of Health. NR 53 TC 12 Z9 12 U1 1 U2 15 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 2015 VL 22 IS 6 BP 492 EP U88 DI 10.1038/nsmb.3015 PG 9 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA CJ6RI UT WOS:000355620600012 PM 25938660 ER PT J AU Deng, HX Li, ZG Stan, L Rosenmann, D Czaplewski, D Gao, J Yang, XD AF Deng, Huixu Li, Zhigang Stan, Liliana Rosenmann, Daniel Czaplewski, David Gao, Jie Yang, Xiaodong TI Broadband perfect absorber based on one ultrathin layer of refractory metal SO OPTICS LETTERS LA English DT Article ID LIGHT-ABSORPTION; METAMATERIAL; TEMPERATURE; FILMS AB Broadband perfect absorber based on one ultrathin layer of the refractory metal chromium without structure patterning is proposed and demonstrated. The ideal permittivity of the metal layer for achieving broadband perfect absorption is derived based on the impedance transformation method. Since the permittivity of the refractory metal chromium matches this ideal permittivity well in the visible and near-infrared range, a silica-chromium-silica three-layer absorber is fabricated to demonstrate the broadband perfect absorption. The experimental results under normal incidence show that the absorption is above 90% over the wavelength range of 0.4-1.4 mu m, and the measurements under angled incidence within 400-800 nm prove that the absorber is angle-insensitive and polarizationindependent. (C) 2015 Optical Society of America C1 [Deng, Huixu; Li, Zhigang; Gao, Jie; Yang, Xiaodong] Missouri Univ Sci & Technol, Dept Mech & Aerosp Engn, Rolla, MO 65409 USA. [Stan, Liliana; Rosenmann, Daniel; Czaplewski, David] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Yang, XD (reprint author), Missouri Univ Sci & Technol, Dept Mech & Aerosp Engn, Rolla, MO 65409 USA. EM gaojie@mst.edu; yangxia@mst.edu FU Ralph E. Powe Junior Faculty Enhancement Award; National Science Foundation [CBET-1402743]; Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility [DE-AC02-06CH11357] FX The authors acknowledge the support from the Ralph E. Powe Junior Faculty Enhancement Award and the National Science Foundation under grant CBET-1402743. This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility under Contract No. DE-AC02-06CH11357. NR 24 TC 17 Z9 17 U1 3 U2 62 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 2015 VL 40 IS 11 BP 2592 EP 2595 DI 10.1364/OL.40.002592 PG 4 WC Optics SC Optics GA CJ6UP UT WOS:000355630200039 PM 26030565 ER PT J AU Rabani, E Baer, R Neuhauser, D AF Rabani, Eran Baer, Roi Neuhauser, Daniel TI Time-dependent stochastic Bethe-Salpeter approach SO PHYSICAL REVIEW B LA English DT Article ID DENSITY-FUNCTIONAL THEORY; POLYCYCLIC AROMATIC-HYDROCARBONS; CHARGE-TRANSFER EXCITATIONS; TAMM-DANCOFF APPROXIMATION; ELECTRON-HOLE EXCITATIONS; BODY PERTURBATION-THEORY; AB-INITIO CALCULATION; SILICON QUANTUM DOTS; EXCITED-STATES; PSEUDOPOTENTIAL CALCULATIONS AB A time-dependent formulation for electron-hole excitations in extended finite systems, based on the Bethe-Salpeter equation (BSE), is developed using a stochastic wave function approach. The time-dependent formulation builds on the connection between time-dependent Hartree-Fock (TDHF) theory and the configuration-interaction with single substitution (CIS) method. This results in a time-dependent Schrodinger-like equation for the quasiparticle orbital dynamics based on an effective Hamiltonian containing direct Hartree and screened exchange terms, where screening is described within the random-phase approximation (RPA). To solve for the optical-absorption spectrum, we develop a stochastic formulation in which the quasiparticle orbitals are replaced by stochastic orbitals to evaluate the direct and exchange terms in the Hamiltonian as well as the RPA screening. This leads to an overall quadratic scaling, a significant improvement over the equivalent symplectic eigenvalue representation of the BSE. Application of the time-dependent stochastic BSE (TDsBSE) approach to silicon and CdSe nanocrystals up to size of approximate to 3000 electrons is presented and discussed. C1 [Rabani, Eran] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Rabani, Eran] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Baer, Roi] Hebrew Univ Jerusalem, Inst Chem, Fritz Haber Ctr Mol Dynam, IL-91904 Jerusalem, Israel. [Neuhauser, Daniel] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. RP Rabani, E (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. FU Israel Science Foundation-FIRST Program [1700/14]; National Science Foundation (NSF) [CHE-1112500] FX We thank the Israel Science Foundation-FIRST Program (Grant No. 1700/14). D.N. acknowledges support by the National Science Foundation (NSF), Grant No. CHE-1112500. NR 125 TC 5 Z9 5 U1 3 U2 16 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 JUN 1 PY 2015 VL 91 IS 23 AR 235302 DI 10.1103/PhysRevB.91.235302 PG 10 WC Physics, Condensed Matter SC Physics GA CJ3VD UT WOS:000355411300004 ER PT J AU Smith, CA AF Smith, Christopher A. TI 10 Million Tons of CO2 Stored SO POWER LA English DT Editorial Material C1 US DOE, Fossil Energy, Washington, DC 20585 USA. RP Smith, CA (reprint author), US DOE, Fossil Energy, Washington, DC 20585 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU TRADEFAIR GROUP PI HOUSTON PA 11000 RICHMOND, STE 500, HOUSTON, TX 77042 USA SN 0032-5929 EI 1936-7791 J9 POWER JI Power PD JUN PY 2015 VL 159 IS 6 BP 84 EP 84 PG 1 WC Energy & Fuels SC Energy & Fuels GA CJ6BR UT WOS:000355578500022 ER PT J AU Zou, YT Wang, XB Chen, T Li, XF Qi, XT Welch, D Zhu, PW Liu, BB Cui, T Li, BS AF Zou, Yongtao Wang, Xuebing Chen, Ting Li, Xuefei Qi, Xintong Welch, David Zhu, Pinwen Liu, Bingbing Cui, Tian Li, Baosheng TI Hexagonal-structured epsilon-NbN: ultra-incompressibility, high shear rigidity, and a possible hard superconducting material SO SCIENTIFIC REPORTS LA English DT Article ID ELECTRONIC-PROPERTIES; NEUTRON-DIFFRACTION; SINGLE-CRYSTAL; 1ST PRINCIPLES; TRANSITION; NITRIDES; PRESSURE; NIOBIUM; FILMS; MON AB Exploring the structural stability and elasticity of hexagonal epsilon-NbN helps discover correlations among its physical properties for scientific and technological applications. Here, for the first time, we measured the ultra-incompressibility and high shear rigidity of polycrystalline hexagonal epsilon-NbN using ultrasonic interferometry and in situ X-ray diffraction, complemented with first-principles density-functional theory calculations up to 30 GPa in pressure. Using a finite strain equation of state approach, the elastic bulk and shear moduli, as well as their pressure dependences are derived from the measured velocities and densities, yielding B-So = 373.3(15)GPa, G(o) = 200.5(8)GPa, partial derivative B-S/partial derivative P = 3.81(3) and partial derivative G/partial derivative P = 1.67(1). The hexagonal epsilon-NbN possesses a very high bulk modulus, rivaling that of superhard material cBN (B-o = 381.1GPa). The high shear rigidity is comparable to that for superhard gamma-B (G(o) = 227.2GPa). We found that the crystal structure of transition-metal nitrides and the outmost electrons of the corresponding metals may dominate their pressure dependences in bulk and shear moduli. In addition, the elastic moduli, Vickers hardness, Debye temperature, melting temperature and a possible superconductivity of hexagonal epsilon-NbN all increase with pressures, suggesting its exceptional suitability for applications under extreme conditions. C1 [Zou, Yongtao; Li, Xuefei; Li, Baosheng] SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA. [Zou, Yongtao; Zhu, Pinwen; Liu, Bingbing; Cui, Tian] Jilin Univ, Coll Phys, State Key Lab Superhard Mat, Changchun 130012, Peoples R China. [Wang, Xuebing; Chen, Ting; Qi, Xintong] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. [Welch, David] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. [Welch, David] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Zou, YT (reprint author), SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA. EM yongtaozou@jlu.edu.cn; baosheng.li@stonybrook.edu FU NSF [EAR1045630]; DOE/NNSA [DENA0001815]; Scientific Research Foundation of Jilin University [419080500385, 1G3155051460]; National Natural Science Foundation of China [51032001]; COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF [EAR 10-43050] FX This work is supported by NSF (EAR1045630) and DOE/NNSA (DENA0001815) to B. Li. Y. Z acknowledges support from the Scientific Research Foundation of Jilin University for the Overseas Scholars (Nos. 419080500385 and 1G3155051460) to Y. Z., as well as the National Natural Science Foundation of China (No. 51032001) to T. C. for SEM and hardness measurements. We very much appreciate Robert C. Liebermann for his valuable discussion and suggestions. Yongtao Zou also thanks Dr. Wei Zhang for his help with the theoretical calculations (Southwest University of Science and Technology, China), and Zhiqiang Chen for the assistance at the X17C beamline. The operation of X17C is supported by COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF (EAR 10-43050). Mineral Physics Institute Publication No. 502. NR 51 TC 5 Z9 5 U1 8 U2 56 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 JUN 1 PY 2015 VL 5 AR 10811 DI 10.1038/srep10811 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CJ6LQ UT WOS:000355605700001 PM 26028439 ER PT J AU Sarkar, A Karld, V Aggarwal, SK Maurya, GS Kumar, R Rai, AK Mao, XL Russo, RE AF Sarkar, Arnab Karld, Vijay Aggarwal, Suresh K. Maurya, Gulab S. Kumar, Rohit Rai, Awadhesh K. Mao, Xianglei Russo, Richard E. TI Evaluation of the prediction precision capability of partial least squares regression approach for analysis of high alloy steel by laser induced breakdown spectroscopy SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE LIBS; Steel; SEP; Analytical performance; PLSR ID MOLECULAR ISOTOPIC SPECTROMETRY; QUANTITATIVE-ANALYSIS; STAINLESS-STEEL; MULTIVARIATE CALIBRATION; MINOR ELEMENTS; ABLATION; STRATEGIES; INDUSTRY; SAMPLES; NICKEL AB Laser induced breakdown spectroscopy (LIBS) was applied for elemental characterization of high alloy steel using partial least squares regression (PLSR) with an objective to evaluate the analytical performance of this multivariate approach. The optimization of the number of principle components for minimizing error in PLSR algorithm was investigated. The effect of different pre-treatment procedures on the raw spectral data before PLSR analysis was evaluated based on several statistical (standard error of prediction, percentage relative error of prediction etc.) parameters. The pre-treatment with "NORM" parameter gave the optimum statistical results. The analytical performance of PLSR model improved by increasing the number of laser pulses accumulated per spectrum as well as by truncating the spectrum to appropriate wavelength region. It was found that the statistical benefit of truncating the spectrum can also be accomplished by increasing the number of laser pulses per accumulation without spectral truncation. The constituents (Co and Mo) present in hundreds of ppm were determined with relative precision of 4-9% (2 sigma), whereas the major constituents Cr and Ni (present at a few percent levels) were determined with a relative precision of similar to 2%(2 sigma). (C) 2015 Elsevier B.V. All rights reserved. C1 [Sarkar, Arnab; Karld, Vijay; Aggarwal, Suresh K.] Bhabha Atom Res Ctr, Div Fuel Chem, Mumbai 400085, Maharashtra, India. [Maurya, Gulab S.; Kumar, Rohit; Rai, Awadhesh K.] Univ Allahabad, Dept Phys, Allahabad 211002, Uttar Pradesh, India. [Mao, Xianglei; Russo, Richard E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Sarkar, A (reprint author), Bhabha Atom Res Ctr, Div Fuel Chem, Mumbai 400085, Maharashtra, India. EM asarkar@ymail.com; rerusso@lbl.gov RI Kumar, Rohit/E-9996-2012; OI Kumar, Rohit/0000-0003-1946-6751; Aggarwal, Suresh Kumar/0000-0002-3377-7110; Sarkar, Arnab/0000-0003-3783-8299 NR 39 TC 10 Z9 11 U1 4 U2 22 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 2015 VL 108 BP 8 EP 14 DI 10.1016/j.sab.2015.04.002 PG 7 WC Spectroscopy SC Spectroscopy GA CJ3CG UT WOS:000355360400002 ER PT J AU Yang, LL Grossmann, IE Mauter, MS Dilmore, RM AF Yang, Linlin Grossmann, Ignacio E. Mauter, Meagan S. Dilmore, Robert M. TI Investment optimization model for freshwater acquisition and wastewater handling in shale gas production SO AICHE JOURNAL LA English DT Article DE optimization; shale gas; water management ID GENERAL ALGORITHM; BATCH-OPERATIONS; DESALINATION; MANAGEMENT AB Major challenges of water use in the drilling and fracturing process in shale gas production are large volumes required in a short-period of time and the nonsteady nature of wastewater treatment. A new mixed-integer linear programming (MILP) model for optimizing capital investment decisions for water use for shale gas production through a discrete-time representation of the State-Task Network is presented. The objective is to minimize the capital cost of impoundment, piping, and treatment facility, and operating cost including freshwater, pumping, and treatment. The goal is to determine the location and capacity of impoundment, the type of piping, treatment facility locations and removal capability, freshwater sources, as well as the frac schedule. In addition, the impact of several factors such as limiting truck hauling and increasing flowback volume on the solution is examined. A case study is optimized to illustrate the application of the proposed formulation. (c) 2015 American Institute of Chemical Engineers AIChE J, 61: 1770-1782, 2015 C1 [Yang, Linlin; Grossmann, Ignacio E.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Mauter, Meagan S.] Carnegie Mellon Univ, Dept Chem Engn & Engn & Publ Policy, Pittsburgh, PA 15213 USA. [Dilmore, Robert M.] Natl Energy Technol Lab, Off Res & Dev, Pittsburgh, PA USA. RP Grossmann, IE (reprint author), Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. EM grossmann@cmu.edu OI Mauter, Meagan/0000-0002-4932-890X FU National Energy Technology Laboratory (NETL) FX The authors would like to acknowledge Jeremy Manno from Carrizo Oil & Gas for helping them to define the problem and for providing basic data and thank the National Energy Technology Laboratory (NETL) for financial support. NR 15 TC 8 Z9 8 U1 5 U2 32 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 2015 VL 61 IS 6 BP 1770 EP 1782 DI 10.1002/aic.14804 PG 13 WC Engineering, Chemical SC Engineering GA CJ0CU UT WOS:000355141100001 ER PT J AU Morgan, JC Bhattacharyya, D Tong, C Miller, DC AF Morgan, Joshua C. Bhattacharyya, Debangsu Tong, Charles Miller, David C. TI Uncertainty quantification of property models: Methodology and its application to CO2-loaded aqueous MEA solutions SO AICHE JOURNAL LA English DT Article DE uncertainty quantification; property models; monoethanolamine; CO2 capture ID SURFACE-TENSION; PROCESS DESIGN; DENSITY; BLENDS; CO2 AB Uncertainties in property models can significantly affect the results obtained from process simulations. If these uncertainties are not quantified, optimal plant designs based on such models can be misleading. With this incentive, a systematic, generalized uncertainty quantification (UQ) methodology for property models is developed. Starting with prior beliefs about parametric uncertainties, a Bayesian method is used to derive informed posteriors using the experimental data. To reduce the computational expense, surrogate response surface models are developed. For downselecting the parameter space, a sensitivity matrix-based approach is developed. The methodology is then deployed to the property models for an MEA-CO2-H2O system. The UQ analysis is found to provide interesting information about uncertainties in the parameter space. The sensitivity matrix approach is also found to be a valuable tool for reducing computational expense. Finally, the effect of the estimated parametric uncertainty on CO2 absorption and monoethanolamine (MEA) regeneration is analyzed. (c) 2015 American Institute of Chemical Engineers AIChE J, 61: 1822-1839, 2015 C1 [Morgan, Joshua C.; Bhattacharyya, Debangsu] W Virginia Univ, Dept Chem Engn, Morgantown, WV 26505 USA. [Tong, Charles] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Miller, David C.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Miller, DC (reprint author), W Virginia Univ, Dept Chem Engn, Morgantown, WV 26505 USA. EM Debangsu.Bhattacharyya@mail.wvu.edu FU RES [DE-FE0004000] FX As part of the National Energy Technology Laboratory's Regional University Alliance (NETL-RUA), a collaborative initiative of the NETL, this technical effort was performed under the RES contract DE-FE0004000. The authors would like to thank Prof. Gary T. Rochelle from The University of Texas at Austin for sharing the Phoenix model. The authors sincerely acknowledge valuable discussions with Prof. Rochelle and Brent Sherman from The University of Texas at Austin. NR 32 TC 3 Z9 3 U1 4 U2 14 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 2015 VL 61 IS 6 BP 1822 EP 1839 DI 10.1002/aic.14762 PG 18 WC Engineering, Chemical SC Engineering GA CJ0CU UT WOS:000355141100005 ER PT J AU Valverde-Tercedor, C Montalban-Lopez, M Perez-Gonzalez, T Sanchez-Quesada, MS Prozorov, T Pineda-Molina, E Fernandez-Vivas, MA Rodriguez-Navarro, AB Trubitsyn, D Bazylinski, DA Jimenez-Lopez, C AF Valverde-Tercedor, C. Montalban-Lopez, M. Perez-Gonzalez, T. Sanchez-Quesada, M. S. Prozorov, T. Pineda-Molina, E. Fernandez-Vivas, M. A. Rodriguez-Navarro, A. B. Trubitsyn, D. Bazylinski, Dennis A. Jimenez-Lopez, C. TI Size control of in vitro synthesized magnetite crystals by the MamC protein of Magnetococcus marinus strain MC-1 SO APPLIED MICROBIOLOGY AND BIOTECHNOLOGY LA English DT Article DE Biomimetics; Biomineralization; MamC; Magnetite nanoparticles; Magnetosomes Magnetococcus marinus strain MC-1; Magnetotactic bacteria ID COMPLETE GENOME SEQUENCE; MAGNETOTACTIC BACTERIA; MAGNETOSOME MEMBRANE; PROTEOMIC ANALYSIS; GRYPHISWALDENSE; MINERALIZATION; NANOPARTICLES; 25-DEGREES-C; DISSOLUTION; ADSORPTION AB Magnetotactic bacteria are a diverse group of prokaryotes that share the unique ability of biomineralizing magnetosomes, which are intracellular, membrane-bounded crystals of either magnetite (Fe3O4) or greigite (Fe3S4). Magnetosome biomineralization is mediated by a number of specific proteins, many of which are localized in the magnetosome membrane, and thus is under strict genetic control. Several studies have partially elucidated the effects of a number of these magnetosome-associated proteins in the control of the size of magnetosome magnetite crystals. However, the effect of MamC, one of the most abundant proteins in the magnetosome membrane, remains unclear. In this present study, magnetite nanoparticles were synthesized inorganically in free-drift experiments at 25 A degrees C in the presence of different concentrations of the iron-binding recombinant proteins MamC and MamCnts (MamC without its first transmembrane segment) from the marine, magnetotactic bacterium Magnetococcus marinus strain MC-1 and three commercial proteins [alpha-lactalbumin (alpha-Lac), myoglobin (Myo), and lysozyme (Lyz)]. While no effect was observed on the size of magnetite crystals formed in the presence of the commercial proteins, biomimetic synthesis in the presence of MamC and MamCnts at concentrations of 10-60 mu g/mL resulted in the production of larger and more well-developed magnetite crystals (similar to 30-40 nm) compared to those of the control (similar to 20-30 nm; magnetite crystals grown protein-free). Our results demonstrate that MamC plays an important role in the control of the size of magnetite crystals and could be utilized in biomimetic synthesis of magnetite nanocrystals. C1 [Valverde-Tercedor, C.; Montalban-Lopez, M.; Perez-Gonzalez, T.; Sanchez-Quesada, M. S.; Fernandez-Vivas, M. A.; Jimenez-Lopez, C.] Univ Granada, Dept Microbiol, Granada 18071, Spain. [Prozorov, T.] US DOE, Ames Lab, Ames, IA 50011 USA. [Pineda-Molina, E.] CSIC, IACT, Lab Estudios Cristalog, Granada, Spain. [Rodriguez-Navarro, A. B.] Univ Granada, Dept Mineral & Petr, Granada, Spain. [Trubitsyn, D.; Bazylinski, Dennis A.] Univ Nevada, Sch Life Sci, Las Vegas, NV 89154 USA. RP Valverde-Tercedor, C (reprint author), Univ Granada, Dept Microbiol, Campus Fuentenueva S-N, Granada 18071, Spain. EM mcarmenvalverde@ugr.es; cjl@ugr.es FU Spanish Ministry of Culture (MEC) [CGL2010-18274, CGL2013-46612]; Department of Energy Office of Science Early Career Research Award; Ames Laboratory (US DOE, Iowa State University) [DE-AC02-07CH11358]; US NSF Grant [EAR-1423939, SC-12-384]; US DOE, Ames Laboratory at Iowa State University [C02-07CH11358] FX Financial funding for this work was provided by grants CGL2010-18274 and CGL2013-46612 from the Spanish Ministry of Culture (MEC). We thank Dr. Angel Delgado Mora (Universidad de Granada) for the Z-size analyses and Rafael Lopez Moreno for the assistance in the experiments. We thank the Centro de Instrumentacion Cientifica personnel from the University of Granada for the TEM analyses and technical assistance and to the personnel from La Factoria (Granada) and LAC (IACT, CSIC-UGR) for their help in protein expression and purification. T. Prozorov acknowledges support from the Department of Energy Office of Science Early Career Research Award. Magnetization measurements and part of the electron microscopy analysis were carried out at the Ames Laboratory (US DOE, Iowa State University), contract no. DE-AC02-07CH11358. D.A.B... is supported by US NSF Grant EAR-1423939 and by SC-12-384 (US DOE C02-07CH11358, Ames Laboratory at Iowa State University). Finally, we also thank C.S. Romanek and three anonymous reviewers for their comments and suggestions that have greatly improved this manuscript. NR 40 TC 7 Z9 7 U1 9 U2 34 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0175-7598 EI 1432-0614 J9 APPL MICROBIOL BIOT JI Appl. Microbiol. Biotechnol. PD JUN PY 2015 VL 99 IS 12 BP 5109 EP 5121 DI 10.1007/s00253-014-6326-y PG 13 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA CJ0ZA UT WOS:000355208900014 PM 25874532 ER PT J AU Dhayal, RS Liao, JH Kahlal, S Wang, XP Liu, YC Chiang, MH van Zyl, WE Saillard, JY Liu, CW AF Dhayal, Rajendra S. Liao, Jian-Hong Kahlal, Samia Wang, Xiaoping Liu, Yu-Chiao Chiang, Ming-Hsi van Zyl, Werner E. Saillard, Jean-Yves Liu, C. W. TI [Cu-32(H)(20){S2P(OiPr)(2)}(12)]: The Largest Number of Hydrides Recorded in a Molecular Nanocluster by Neutron Diffraction SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE cluster compounds; copper; density functional calculations; hydrides; neutron diffraction ID RAY CRYSTAL-STRUCTURE; SILVER NANOPARTICLES; GOLD NANOPARTICLES; OPTICAL-PROPERTIES; ROOM-TEMPERATURE; COPPER CLUSTERS; COMPLEX; REACTIVITY; LIGANDS; BOROHYDRIDE AB An air- and moisture-stable nanoscale polyhydrido copper cluster [Cu-32(H)(20){S2P(OiPr)(2)}(12)] (1(H)) was synthesized and structurally characterized. The molecular structure of 1(H) exhibits a hexacapped pseudo-rhombohedral core of 14 Cu atoms sandwiched between two nestlike triangular cupola fragments of (2x9) Cu atoms in an elongated triangular gyrobicupola polyhedron. The discrete Cu-32 cluster is stabilized by 12 dithiophosphate ligands and a record number of 20 hydride ligands, which were found by high-resolution neutron diffraction to exhibit tri-, tetra-, and pentacoordinated hydrides in capping and interstitial modes. This result was further supported by a density functional theory investigation on the simplified model [Cu-32(H)(20)(S2PH2)(12)]. C1 [Dhayal, Rajendra S.; Liao, Jian-Hong; Liu, C. W.] Natl Dong Hwa Univ, Dept Chem, Shoufeng 97401, Hualien, Taiwan. [Kahlal, Samia; Saillard, Jean-Yves] Univ Rennes 1, UMR CNRS, Inst Sci Chim Rennes 6226, F-35042 Rennes, France. [Wang, Xiaoping] Oak Ridge Natl Lab, Chem & Engn Mat Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA. [Liu, Yu-Chiao; Chiang, Ming-Hsi] Acad Sinica, Inst Chem, Taipei 115, Taiwan. [van Zyl, Werner E.] Univ KwaZulu Natal, Sch Chem & Phys, ZA-4000 Durban, South Africa. RP Liu, CW (reprint author), Natl Dong Hwa Univ, Dept Chem, 1,Sec 2,Da Hsueh Rd, Shoufeng 97401, Hualien, Taiwan. EM chenwei@mail.ndhu.edu.tw RI Chiang, Ming-Hsi/E-2044-2015; Wang, Xiaoping/E-8050-2012; liu, chenwei/B-6730-2016 OI Chiang, Ming-Hsi/0000-0002-7632-9369; Wang, Xiaoping/0000-0001-7143-8112; liu, chenwei/0000-0003-0801-6499 FU Ministry of Science and Technology of Taiwan (MOST) [103-2113-M-259-003-MY3]; Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC FX This work was supported by the Ministry of Science and Technology of Taiwan (MOST 103-2113-M-259-003-MY3). The neutron single-crystal diffraction measurement was carried out at the ORNL Spallation Neutron Source, which is sponsored by the Division of Scientific User Facilities, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. NR 66 TC 10 Z9 10 U1 6 U2 32 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0947-6539 EI 1521-3765 J9 CHEM-EUR J JI Chem.-Eur. J. PD JUN 1 PY 2015 VL 21 IS 23 BP 8369 EP 8374 DI 10.1002/chem.201501122 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA CJ1QV UT WOS:000355260000010 PM 25899822 ER PT J AU Pollesch, N Dale, VH AF Pollesch, N. Dale, V. H. TI Applications of aggregation theory to sustainability assessment SO ECOLOGICAL ECONOMICS LA English DT Article DE Aggregation functions; Bioenergy sustainability; Compensatory functions; Distance to target; Indicators; Mathematical aggregation theory; Sustainability assessment; Uncertainty; Weak versus strong sustainability ID INPUT-OUTPUT; INDEXES; INDICATORS; CONTEXT; SYSTEMS; TRADE; LAWS AB In order to aid operations that promote sustainability goals, researchers and stakeholders use sustainability assessments. Although assessments take various forms, many utilize diverse sets of indicators numbering anywhere from two to over 2000. Indices, composite indicators, or aggregate values are used to simplify high dimensional and complex data sets and to clarify assessment results. Although the choice of aggregation function is a key component in the development of the assessment, there are few literature examples to guide appropriate aggregation function selection. This paper applies the mathematical study of aggregation functions to sustainability assessment in order to aid in providing criteria for aggregation function selection. Relevant mathematical properties of aggregation functions are presented and interpreted. Cases of these properties and their relation to previous sustainability assessment research are provided. Examples show that mathematical aggregation properties can be used to address the topics of compensatory behavior and weak versus strong sustainability, aggregation of data under varying units of measurements, multiple site multiple indicator aggregation, and the determination of error bounds in aggregate output for normalized and non-normalized indicator measures. (c) 2015 Elsevier B.V. All rights reserved. C1 [Pollesch, N.] Univ Tennessee, Dept Math, Knoxville, TN 37996 USA. [Pollesch, N.; Dale, V. H.] Oak Ridge Natl Lab, Ctr BioEnergy Sustainabil, Oak Ridge, TN 37831 USA. RP Pollesch, N (reprint author), Univ Tennessee, Dept Math, 1403 Circle Dr, Knoxville, TN 37996 USA. EM pollesch@math.utk.edu; dalevh@ornl.gov FU U.S. Department of Energy (DOE) under the Bioenergy Technologies Office; DOE [DE-AC05-00OR22725] FX This research was supported by the U.S. Department of Energy (DOE) under the Bioenergy Technologies Office. Oak Ridge National Laboratory is managed by the UT-Battelle, LLC, for DOE under contract DE-AC05-00OR22725. Comments by Lou Gross and Radko Mesiar on an earlier draft are also appreciated. Discussions with Keith Kline, Esther Parish, Jean-Luc Marichal, Bruce Peckham, and Suzanne Lenhart have been helpful. NR 30 TC 8 Z9 8 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-8009 EI 1873-6106 J9 ECOL ECON JI Ecol. Econ. PD JUN PY 2015 VL 114 BP 117 EP 127 DI 10.1016/j.ecolecon.2015.03.011 PG 11 WC Ecology; Economics; Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology; Business & Economics GA CI8MM UT WOS:000355026400011 ER PT J AU Rattray, G AF Rattray, Gordon TI Geochemical evolution of groundwater in the Mud Lake area, Eastern Idaho, USA SO ENVIRONMENTAL EARTH SCIENCES LA English DT Article DE Geochemistry; Evaporite deposits; Geochemical modeling; PHREEQC; Groundwater AB Groundwater with elevated dissolved-solids concentrations-containing large concentrations of chloride, sodium, sulfate, and calcium-is present in the Mud Lake area of Eastern Idaho. The source of these solutes is unknown; however, an understanding of the geochemical sources and processes controlling their presence in groundwater in the Mud Lake area is needed to better understand the geochemical sources and processes controlling the water quality of groundwater at the Idaho National Laboratory. The geochemical sources and processes controlling the water quality of groundwater in the Mud Lake area were determined by investigating the geology, hydrology, land use, and groundwater geochemistry in the Mud Lake area, proposing sources for solutes, and testing the proposed sources through geochemical modeling with PHREEQC. Modeling indicated that sources of water to the eastern Snake River Plain aquifer were groundwater from the Beaverhead Mountains and the Camas Creek drainage basin; surface water from Medicine Lodge and Camas Creeks, Mud Lake, and irrigation water; and upward flow of geothermal water from beneath the aquifer. Mixing of groundwater with surface water or other groundwater occurred throughout the aquifer. Carbonate reactions, silicate weathering, and dissolution of evaporite minerals and fertilizer explain most of the changes in chemistry in the aquifer. Redox reactions, cation exchange, and evaporation were locally important. The source of large concentrations of chloride, sodium, sulfate, and calcium was evaporite deposits in the unsaturated zone associated with Pleistocene Lake Terreton. Large amounts of chloride, sodium, sulfate, and calcium are added to groundwater from irrigation water infiltrating through lake bed sediments containing evaporite deposits and the resultant dissolution of gypsum, halite, sylvite, and bischofite. C1 US Geol Survey, Idaho Falls, ID 83415 USA. RP Rattray, G (reprint author), US Geol Survey, 1955 Fremont, Idaho Falls, ID 83415 USA. EM grattray@usgs.gov OI Rattray, Gordon/0000-0002-1690-3218 FU U.S. Department of Energy FX This research was funded by the U.S. Department of Energy. NR 37 TC 1 Z9 1 U1 6 U2 12 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 2015 VL 73 IS 12 BP 8251 EP 8269 DI 10.1007/s12665-014-3988-9 PG 19 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA CJ0DG UT WOS:000355142800050 ER PT J AU He, F Gao, J Pierce, E Strong, PJ Wang, HL Liang, LY AF He, Feng Gao, Jie Pierce, Eric Strong, P. J. Wang, Hailong Liang, Liyuan TI In situ remediation technologies for mercury-contaminated soil SO ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH LA English DT Review DE Mercury; Soil contamination; In situ remediation; Immobilization; Stabilization ID SUPERCRITICAL-FLUID EXTRACTION; MUSTARD BRASSICA-JUNCEA; ELEMENTAL MERCURY; POLLUTED SOILS; ELECTROKINETIC REMEDIATION; HEAVY-METALS; PTERIS-VITTATA; METHYL MERCURY; ION REDUCTION; CROP PLANTS AB Mercury from anthropogenic activities is a pollutant that poses significant risks to humans and the environment. In soils, mercury remediation can be technically challenging and costly, depending on the subsurface mercury distribution, the types of mercury species, and the regulatory requirements. This paper introduces the chemistry of mercury and its implications for in situ mercury remediation, which is followed by a detailed discussion of several in situ Hg remediation technologies in terms of applicability, cost, advantages, and disadvantages. The effect of Hg speciation on remediation performance, as well as Hg transformation during different remediation processes, was detailed. Thermal desorption, electrokinetic, and soil flushing/washing treatments are removal technologies that mobilize and capture insoluble Hg species, while containment, solidification/stabilization, and vitrification immobilize Hg by converting it to less soluble forms. Two emerging technologies, phytoremediation and nanotechnology, are also discussed in this review. C1 [He, Feng] Zhejiang Univ Technol, Coll Biol & Environm Engn, Hangzhou 310014, Zhejiang, Peoples R China. [He, Feng; Gao, Jie; Pierce, Eric; Liang, Liyuan] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Strong, P. J.] Univ Queensland, Sch Civil Engn, Ctr Solid Waste Bioproc, St Lucia, Qld 4072, Australia. [Strong, P. J.] Univ Queensland, Sch Chem Engn, Ctr Solid Waste Bioproc, St Lucia, Qld 4072, Australia. [Wang, Hailong] Zhejiang A&F Univ, Sch Environm & Resource Sci, Linan 311300, Zhejiang, Peoples R China. RP He, F (reprint author), Zhejiang Univ Technol, Coll Biol & Environm Engn, Hangzhou 310014, Zhejiang, Peoples R China. EM fenghe@zjut.edu.cn RI He, Feng/B-9444-2012; Pierce, Eric/G-1615-2011; Wang, Hailong/C-2641-2011; Liang, Liyuan/O-7213-2014 OI He, Feng/0000-0001-5702-4511; Pierce, Eric/0000-0002-4951-1931; Wang, Hailong/0000-0002-6107-5095; Strong, Peter James/0000-0003-2688-9533; Liang, Liyuan/0000-0003-1338-0324 FU Office of Groundwater and Soil Remediation, Office of Environmental Management, U.S. Department of Energy (DOE), Applied Field Research Initiative (AFRI) Program at Oak Ridge National Laboratory (ORNL); DOE [DE-AC05-00OR22725] FX This research was supported by the Office of Groundwater and Soil Remediation, Office of Environmental Management, U.S. Department of Energy (DOE) as part of the Applied Field Research Initiative (AFRI) Program at Oak Ridge National Laboratory (ORNL), which is managed by UT-Battelle LLC for the DOE under contract DE-AC05-00OR22725. NR 147 TC 6 Z9 6 U1 27 U2 201 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0944-1344 EI 1614-7499 J9 ENVIRON SCI POLLUT R JI Environ. Sci. Pollut. Res. PD JUN PY 2015 VL 22 IS 11 BP 8124 EP 8147 DI 10.1007/s11356-015-4316-y PG 24 WC Environmental Sciences SC Environmental Sciences & Ecology GA CI7QX UT WOS:000354960300011 PM 25850737 ER PT J AU Das, S Zhang, W Thoutam, LR Xiao, ZL Hoffmann, A Demarteau, M Roelofs, A AF Das, Saptarshi Zhang, Wei Thoutam, Laxman Raju Xiao, Zhili Hoffmann, Axel Demarteau, Marcel Roelofs, Andreas TI A Small Signal Amplifier Based on Ionic Liquid Gated Black Phosphorous Field Effect Transistor SO IEEE ELECTRON DEVICE LETTERS LA English DT Article DE Black phosphorus; field effect transistor; amplifier; gain; frequency response ID MOS2 TRANSISTORS; MULTILAYER MOS2; MOBILITY AB In this letter, we report an analog small signal amplifier based on semiconducting black phosphorus (BP), the most recent addition to the family of 2D crystals. The amplifier, consisting of a BP load resistor and a BP field-effect transistor (FET), was integrated on a single flake. The gain of the amplifier was found to be similar to 9 and it remained undistorted for input signal frequencies up to 15 kHz. In addition, we also report record high ON current of 200 mu A/mu m at VDD = -0.5 V in the BP FETs. Our results demonstrate the possibility for the implementation of BP in the future generations of analog devices. C1 [Das, Saptarshi; Zhang, Wei; Thoutam, Laxman Raju; Xiao, Zhili; Hoffmann, Axel; Demarteau, Marcel; Roelofs, Andreas] Argonne Natl Lab, Lemont, IL 60439 USA. RP Das, S (reprint author), Argonne Natl Lab, Lemont, IL 60439 USA. EM das@anl.gov RI Zhang, Wei/G-1523-2012; Hoffmann, Axel/A-8152-2009; Roelofs, Andreas/H-1742-2011 OI Zhang, Wei/0000-0002-5878-3090; Hoffmann, Axel/0000-0002-1808-2767; Roelofs, Andreas/0000-0003-4141-3082 FU U.S. Department of Energy (DOE) through the Office of High Energy Physics [DE-AC02-06CH11357]; U.S. DOE, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division Use of the Center for Nanoscale Materials [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy (DOE) through the Office of High Energy Physics under Contract DE-AC02-06CH11357. The work of A. Hoffmann was supported by the U.S. DOE, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division Use of the Center for Nanoscale Materials under Contract DE-AC02-06CH11357. The review of this letter was arranged by Editor Z. Chen. NR 17 TC 5 Z9 5 U1 7 U2 41 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0741-3106 EI 1558-0563 J9 IEEE ELECTR DEVICE L JI IEEE Electron Device Lett. PD JUN PY 2015 VL 36 IS 6 BP 621 EP 623 DI 10.1109/LED.2015.2421948 PG 3 WC Engineering, Electrical & Electronic SC Engineering GA CJ1OE UT WOS:000355252300031 ER PT J AU Wang, ZY Chen, BK Wang, JH Begovic, MM AF Wang, Zhaoyu Chen, Bokan Wang, Jianhui Begovic, Miroslav M. TI Stochastic DG Placement for Conservation Voltage Reduction Based on Multiple Replications Procedure SO IEEE TRANSACTIONS ON POWER DELIVERY LA English DT Article DE Conservation voltage reduction (CVR); distributed generation (DG); Monte Carlo sampling; multiple replications procedure (MRP); sample average approximation (SAA); stochastic programming (SP) ID DISTRIBUTION NETWORKS; DISTRIBUTION-SYSTEM; MULTIOBJECTIVE OPTIMIZATION; DISTRIBUTED GENERATION; RECONFIGURATION; IMPLEMENTATION; RELIABILITY; LOADS AB Conservation voltage reduction (CVR) and distributed-generation (DG) integration are popular strategies implemented by utilities to improve energy efficiency. This paper investigates the interactions between CVR and DG placement to minimize load consumption in distribution networks, while keeping the lowest voltage level within the predefined range. The optimal placement of DG units is formulated as a stochastic optimization problem considering the uncertainty of DG outputs and load consumptions. A sample average approximation algorithm-based technique is developed to solve the formulated problem effectively. A multiple replications procedure is developed to test the stability of the solution and calculate the confidence interval of the gap between the candidate solution and optimal solution. The proposed method has been applied to the IEEE 37-bus distribution test system with different scenarios. The numerical results indicate that the implementations of CVR and DG, if combined, can achieve significant energy savings. C1 [Wang, Zhaoyu; Begovic, Miroslav M.] Georgia Inst Technol, Sch Elect & Comp Engn, Atlanta, GA 30332 USA. [Chen, Bokan] Iowa State Univ, Sch Ind & Mfg Syst Engn, Ames, IA 50014 USA. [Wang, Jianhui] Argonne Natl Lab, Argonne, IL 60439 USA. RP Wang, ZY (reprint author), Georgia Inst Technol, Sch Elect & Comp Engn, Atlanta, GA 30332 USA. EM zhaoyuwang@gatech.edu; bokanc@iastate.edu; jianhui.wang@anl.gov; miroslav@ece.gatech.edu FU U.S. Department of Energy Office of Science laboratory [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. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 35 TC 5 Z9 5 U1 1 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8977 EI 1937-4208 J9 IEEE T POWER DELIVER JI IEEE Trans. Power Deliv. PD JUN PY 2015 VL 30 IS 3 BP 1039 EP 1047 DI 10.1109/TPWRD.2014.2331275 PG 9 WC Engineering, Electrical & Electronic SC Engineering GA CJ1PJ UT WOS:000355255700002 ER PT J AU Chan, WYR Walker, IS Sherman, MH AF Chan, Wanyu R. Walker, Iain S. Sherman, Max H. TI Durable Airtightness in Single-Family Dwellings - Field Measurements and Analysis SO INTERNATIONAL JOURNAL OF VENTILATION LA English DT Article DE blower door; fan pressurization measurements; air leakage; new construction; weatherization AB Durability of the building envelope is important to new homes that are increasingly built with improved levels of airtightness. It is also important to weatherized homes such that energy savings from retrofit measures, such as air sealing, are persistent. This paper presents a comparison of air leakage measurements collected in November 2013 through March 2014, with two sets of prior data collected between 2001-2003 from 17 new homes located near Atlanta, GA, and 17 homes near Boise, ID that were weatherized in 2007-2008. The purpose of the comparison is to determine if there are changes to the airtightness of building envelopes over time. The air leakage increased in all but one of the new homes, with a mean increase of about 25%. The weatherized homes also showed an increase in the mean air leakage (12%). A regression analysis was performed to describe the relationship between prior and current measurements in terms of normalized leakage (NL). The best estimate of the ageing factor predicts a 15% increase in NL over ten years. Further analysis using ResDB data (LBNL's Residential Diagnostic Database) showed the expected changes in air leakage if ageing were modelled. These results imply the need to examine the causes of increased leakage and methods to avoid them. This increase in leakage with time should be accounted for in long-term population-wide energy savings estimates, such as those used in ratings or energy savings programs. C1 [Chan, Wanyu R.; Walker, Iain S.; Sherman, Max H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Chan, WYR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, One Cyclotron Rd,Mail Stop 90R3058, Berkeley, CA 94720 USA. FU U.S. Dept. of Energy Building America Program, Office of Energy Efficiency and Renewable Energy under DOE [DE-AC02-05CH11231]; U.S. Dept. of Housing and Urban Development, Office of Healthy Homes and Lead Hazard Control [I-PHI-01070]; U.S. Environmental Protection Agency Indoor Environments Division [DW-89-92322201-0]; California Energy Commission [500-09-042] FX Support for this work was provided by the U.S. Dept. of Energy Building America Program, Office of Energy Efficiency and Renewable Energy under DOE Contract DE-AC02-05CH11231; by the U.S. Dept. of Housing and Urban Development, Office of Healthy Homes and Lead Hazard Control through Interagency Agreement I-PHI-01070; by the U.S. Environmental Protection Agency Indoor Environments Division through Interagency Agreement DW-89-92322201-0; and by the California Energy Commission through Contract 500-09-042. NR 13 TC 0 Z9 0 U1 4 U2 7 PU VEETECH LTD PI CONVENTRY PA 7A BARCLAYS VENTURE CENTRE, UNIV WARWICK SCI PARK, SIR WILLIAM LYONS RD, CONVENTRY, CV4 7EZ, ENGLAND SN 1473-3315 J9 INT J VENT JI Int. J. Vent. PD JUN PY 2015 VL 14 IS 1 BP 27 EP 38 PG 12 WC Construction & Building Technology; Energy & Fuels SC Construction & Building Technology; Energy & Fuels GA CJ1GF UT WOS:000355230900003 ER PT J AU Kwon, S Schweitzer, NM Park, S Stair, PC Snurr, RQ AF Kwon, Stephanie Schweitzer, Neil M. Park, Sunyoung Stair, Peter C. Snurr, Randall Q. TI A kinetic study of vapor-phase cyclohexene epoxidation by H2O2 over mesoporous TS-1 SO JOURNAL OF CATALYSIS LA English DT Article DE Alkene; Oxidation; Zeolite; Hydrogen peroxide; Compensation effect ID AQUEOUS HYDROGEN-PEROXIDE; GOLD/MESOPOROUS TITANOSILICATE CATALYST; TITANIUM-BASED EPOXIDATION; DENSITY-FUNCTIONAL THEORY; PROPYLENE EPOXIDATION; HETEROGENEOUS CATALYSIS; OXIDATION; O-2; H-2; DECOMPOSITION AB A kinetic analysis of gas-phase cyclohexene epoxidation by H2O2 over mesoporous TS-1 was performed. The production of cyclohexene oxide was very stable with high selectivity. Based on the kinetic analysis, the gas-phase mechanism is proposed to be similar to that of the liquid-phase reaction: an Eley-Rideal type mechanism, in which the reaction between a Ti-OOH intermediate and the physisorbed alkene is the rate-determining step. When the partial pressure of water or H2O2 was varied, a compensation effect was observed. Based on the kinetic model, the compensation effect is attributed to variations in the surface coverage of intermediates, specifically the competitive adsorption of water and H2O2 at the Ti active sites. A meaningful activation energy can only be obtained at high surface coverages of H2O2 and was determined to be 40 +/- 2 kJ/mol. (C) 2015 Elsevier Inc. All rights reserved. C1 [Kwon, Stephanie; Schweitzer, Neil M.; Park, Sunyoung; Snurr, Randall Q.] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA. [Stair, Peter C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Stair, Peter C.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Stair, PC (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM pstair@northwestern.edu; snurr@northwestern.edu RI Snurr, Randall/B-6699-2009 FU Department of Energy [DE-SC0001329]; MRSEC program of the National Science Foundation at the Materials Research Center of Northwestern University [DMR-1121262]; Institute for Catalysis in Energy Processes from the Chemical Sciences, Geosciences, and Biosciences Division, Office of BES, Office of Science, U.S. DOE [DE-FG-02-03ER15457] FX The CleanCat Core Facility acknowledges funding from the Department of Energy (DE-SC0001329) used for the purchase of the vapor phase reactor system and analytics. This work made use of the J.B. Cohen X-Ray Diffraction Facility supported by the MRSEC program of the National Science Foundation (DMR-1121262) at the Materials Research Center of Northwestern University. We acknowledge support of the Institute for Catalysis in Energy Processes from the Chemical Sciences, Geosciences, and Biosciences Division, Office of BES, Office of Science, U.S. DOE Grant DE-FG-02-03ER15457. NR 44 TC 6 Z9 6 U1 9 U2 97 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 EI 1090-2694 J9 J CATAL JI J. Catal. PD JUN PY 2015 VL 326 BP 107 EP 115 DI 10.1016/j.jcat.2015.04.005 PG 9 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA CJ3AX UT WOS:000355356900012 ER PT J AU Zhang, HB Canlas, C Kropf, AJ Elam, JW Dumesic, JA Marshall, CL AF Zhang, Hongbo Canlas, Christian Kropf, A. Jeremy Elam, Jeffrey W. Dumesic, James A. Marshall, Christopher L. TI Enhancing the stability of copper chromite catalysts for the selective hydrogenation of furfural with ALD overcoating (II) - Comparison between TiO2 and Al2O3 overcoatings SO JOURNAL OF CATALYSIS LA English DT Article DE Selective hydrogenation; 2-Furfuraldehyde; Furfuryl alcohol; Stability; Copper chromite; TPR; XAFS; ALD; In-situ experiment ID ATOMIC LAYER DEPOSITION; CARBON-SUPPORTED COPPER; PHASE REACTIONS; REDUCTION; STABILIZATION; CONVERSION; SUBOXIDES; MECHANISM; COATINGS; ALCOHOL AB TiO2 atomic layer deposition (ALD) overcoatings were applied to copper chromite catalysts to increase the stability for 2-furfuraldehyde ("furfural") hydrogenation. After overcoating, about 75% activity was preserved compared to neat copper chromite: much higher activity than an alumina-ALD-overcoated catalyst with a similar number of ALD cycles. The effects of ALD TiO2 on the active Cu nanoparticles were studied extensively using both in-situ TPR/isothermal-oxidation and in-situ furfural hydrogenation via Cu XAFS. The redox properties of Cu were modified only slightly by the TiO2 ALD overcoat. However, a subtle electronic interaction was observed between the TiO2 ALD layers and the Cu nanoparticles. With calcination at 500 degrees C, the interaction between the TiO2 overcoat and the underlying catalyst is strong enough to inhibit migration and site blocking by chromite, but is sufficiently weaker than the interaction between the Al2O3 overcoat and copper chromite that it does not strongly inhibit the catalytic activity of the copper nanoparticles. (C) 2015 Elsevier Inc. All rights reserved. C1 [Zhang, Hongbo; Kropf, A. Jeremy; Marshall, Christopher L.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Canlas, Christian; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Dumesic, James A.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. RP Marshall, CL (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM marshall@anl.gov RI ID, MRCAT/G-7586-2011; BM, MRCAT/G-7576-2011 FU Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science and Office of Basic Energy Sciences; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This material is based upon work supported as part of the Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science and Office of Basic Energy Sciences. 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-AC02-06CH11357. MRCAT operations were supported by the Department of Energy and the MRCAT member institutions. NR 35 TC 10 Z9 10 U1 9 U2 80 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 EI 1090-2694 J9 J CATAL JI J. Catal. PD JUN PY 2015 VL 326 BP 172 EP 181 DI 10.1016/j.jcat.2015.03.017 PG 10 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA CJ3AX UT WOS:000355356900018 ER PT J AU Mei, R Ashfaq, M Rastogi, D Leung, LR Dominguez, F AF Mei, Rui Ashfaq, Moetasim Rastogi, Deeksha Leung, L. Ruby Dominguez, Francina TI Dominating controls for wetterSouth Asian summer monsoon in the twenty-first century (vol 28, pg 3400, 2015) SO JOURNAL OF CLIMATE LA English DT Correction C1 [Mei, Rui; Ashfaq, Moetasim; Rastogi, Deeksha] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Mei, Rui; Ashfaq, Moetasim; Rastogi, Deeksha] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Leung, L. Ruby] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Dominguez, Francina] Univ Arizona, Dept Atmospher Sci, Tucson, AZ USA. RP Mei, R (reprint author), Oak Ridge Natl Lab, POB 2008 MS6301, Oak Ridge, TN 37831 USA. EM meir@ornl.gov NR 2 TC 0 Z9 0 U1 1 U2 3 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 PY 2015 VL 28 IS 11 BP 4595 EP 4595 DI 10.1175/JCLI-D-15-0256.1 PG 1 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CI9YE UT WOS:000355125900017 ER PT J AU Chen, HY Kim, Y Nath, P Hilty, C AF Chen, Hsueh-Ying Kim, Yaewon Nath, Pulak Hilty, Christian TI An ultra-low cost NMR device with arbitrary pulse programming SO JOURNAL OF MAGNETIC RESONANCE LA English DT Article DE NMR hardware; Relaxometry; Portable NMR ID NUCLEAR-MAGNETIC-RESONANCE; RELAXATION-TIMES; FAT-CONTENT; SPECTROMETER; SPECTROSCOPY; SYSTEM; MOUSE; FOOD AB Ultra-low cost, general purpose electronics boards featuring microprocessors or field programmable gate arrays (FPGA) are reaching capabilities sufficient for direct implementation of NMR spectrometers. We demonstrate a spectrometer based on such a board, implemented with a minimal need for the addition of custom electronics and external components. This feature allows such a spectrometer to be readily implemented using typical knowledge present in an NMR laboratory. With FPGA technology, digital tasks are performed with precise timing, without the limitation of predetermined hardware function. In this case, the FPGA is used for programming of arbitrarily timed pulse sequence events, and to digitally generate required frequencies. Data acquired from a 0.53 T permanent magnet serves as a demonstration of the flexibility of pulse programming for diverse experiments. Pulse sequences applied include a spin-lattice relaxation measurement using a pulse train with small-flip angle pulses, and a Carr-Purcell-Meiboom-Gill experiment with phase cycle. Mixing of NMR signals with a digitally generated, 4-step phase-cycled reference frequency is further implemented to achieve sequential quadrature detection. The flexibility in hardware implementation permits tailoring this type of spectrometer for applications such as relaxometry, polarimetry, diffusometry or NMR based magnetometry. (C) 2015 Elsevier Inc. All rights reserved. C1 [Chen, Hsueh-Ying; Kim, Yaewon; Hilty, Christian] Texas A&M Univ, Dept Chem, College Stn, TX 77845 USA. [Nath, Pulak] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hilty, C (reprint author), Texas A&M Univ, Dept Chem, College Stn, TX 77845 USA. EM chilty@tamu.edu RI Hilty, Christian/C-1892-2015 OI Hilty, Christian/0000-0003-2539-2568 FU Los Alamos National Laboratory's Laboratory Directed Research and Development (LDRD) program [20110166ER] FX This work was partially supported by a subcontract from the Los Alamos National Laboratory's Laboratory Directed Research and Development (LDRD) program (Project No. 20110166ER). NR 32 TC 2 Z9 2 U1 6 U2 28 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 2015 VL 255 BP 100 EP 105 DI 10.1016/j.jmr.2015.02.011 PG 6 WC Biochemical Research Methods; Physics, Atomic, Molecular & Chemical; Spectroscopy SC Biochemistry & Molecular Biology; Physics; Spectroscopy GA CJ3LU UT WOS:000355386300012 PM 25918864 ER PT J AU Chen, Y Lu, Y Amritkar, P Thakur, R Zhuang, Y AF Chen, Yong Lu, Yin Amritkar, Prathamesh Thakur, Rajeev Zhuang, Yu TI Performance model-directed data sieving for high-performance I/O SO JOURNAL OF SUPERCOMPUTING LA English DT Article DE Data sieving; Runtime systems; Parallel I/O; Libraries; Parallel file systems; High-performance computing AB Many scientific computing applications and engineering simulations exhibit noncontiguous I/O access patterns. Data sieving is an important technique to improve the performance of noncontiguous I/O accesses by combining small and noncontiguous requests into a large and contiguous request. It has been proven effective even though more data are potentially accessed than demanded. In this study, we propose a new data sieving approach namely performance model-directed data sieving, or PMD data sieving in short. It improves the existing data sieving approach from two aspects: (1) dynamically determines when it is beneficial to perform data sieving; and (2) dynamically determines how to perform data sieving if beneficial. It improves the performance of the existing data sieving approach considerably and reduces the memory consumption as verified by both theoretical analysis and experimental results. Given the importance of supporting noncontiguous accesses effectively and reducing the memory pressure in a large-scale system, the proposed PMD data sieving approach in this research holds a great promise and will have an impact on high-performance I/O systems. C1 [Chen, Yong; Lu, Yin; Amritkar, Prathamesh; Zhuang, Yu] Texas Tech Univ, Dept Comp Sci, Lubbock, TX 79409 USA. [Thakur, Rajeev] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Chen, Y (reprint author), Texas Tech Univ, Dept Comp Sci, Lubbock, TX 79409 USA. EM yong.chen@ttu.edu; yin.lu@ttu.edu; prathamesh.amritkar@ttu.edu; thakur@mcs.anl.gov; yu.zhuang@ttu.edu NR 45 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0920-8542 EI 1573-0484 J9 J SUPERCOMPUT JI J. Supercomput. PD JUN PY 2015 VL 71 IS 6 BP 2066 EP 2090 DI 10.1007/s11227-014-1277-8 PG 25 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA CJ1GL UT WOS:000355231600008 ER PT J AU Okamura, M Sekine, M Ikeda, S Kanesue, T Kumaki, M Fuwa, Y AF Okamura, Masahiro Sekine, Megumi Ikeda, Shunsuke Kanesue, Takeshi Kumaki, Masafumi Fuwa, Yasuhiro TI Preliminary result of rapid solenoid for controlling heavy-ion beam parameters of laser ion source SO LASER AND PARTICLE BEAMS LA English DT Article DE Emittance; Heavy-ion fusion; Inertial confinement fusion; Laser ion source ID INERTIAL FUSION; ABLATION; PLASMA AB To realize a heavy-ion inertial fusion (HIF) driver, we have studied a possibility of laser ion source (LIS). A LIS can provide high-current high-brightness heavy-ion beams; however, it was difficult to manipulate the beam parameters. To overcome the issue, we employed a pulsed solenoid in the plasma drift section and investigated the effect of the solenoid field on singly charged iron beams. The rapid ramping magnetic field could enhance limited time slice of the current and simultaneously the beam emittance changed accordingly. This approach may also be useful to realize an ion source for HIF power plant. C1 [Okamura, Masahiro; Kanesue, Takeshi] Brookhaven Natl Lab, Upton, NY 11973 USA. [Sekine, Megumi] Tokyo Inst Technol, Tokyo, Japan. [Sekine, Megumi; Ikeda, Shunsuke; Kumaki, Masafumi; Fuwa, Yasuhiro] RIKEN, Saitama, Japan. [Ikeda, Shunsuke] Tokyo Inst Technol, Knagawa, Japan. [Kumaki, Masafumi] Waseda Univ, Tokyo, Japan. [Fuwa, Yasuhiro] Kyoto Univ, Kyoto, Japan. RP Okamura, M (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM oka-mura@bnl.gov FU NASA; DOE of the USA; JRA system from RIKEN of the Japan FX This research was supported by NASA, DOE of the USA, JRA system from RIKEN of the Japan, and their supports are gratefully acknowledged. NR 9 TC 1 Z9 1 U1 1 U2 10 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0263-0346 EI 1469-803X J9 LASER PART BEAMS JI Laser Part. Beams PD JUN PY 2015 VL 33 IS 2 BP 137 EP 141 DI 10.1017/S026303461500004X PG 5 WC Physics, Applied SC Physics GA CJ1ZV UT WOS:000355284700001 ER PT J AU Roy, A Harilal, SS Hassan, SM Endo, A Mocek, T Hassanein, A AF Roy, Amitava Harilal, Sivanandan S. Hassan, Syed M. Endo, Akira Mocek, Tomas Hassanein, Ahmed TI Collimation of laser-produced plasmas using axial magnetic field SO LASER AND PARTICLE BEAMS LA English DT Article DE Laser-produced plasma; Optical emission spectroscopy; Plasma-B field interaction; Plasma temperature and density; Tin plasma ID BLOW-OFF PLASMA; PLUME EMISSION; AMBIENT GAS; DYNAMICS AB We investigated the expansion dynamics of laser-produced plasmas expanding into an axial magnetic field. Plasmas were generated by focusing 1.064 m Nd:YAG laser pulses onto a planar tin target in vacuum and allowed to expand into a 0.5 T magnetic field where the field lines were aligned along the plume expansion direction. Gated images employing an intensified charge-coupled device showed focusing of the plasma plume, which were also compared with results, obtained using particle-in-cell modeling methods. The estimated density and temperature of the plasma plumes employing emission spectroscopy revealed significant changes in the presence and absence of the 0.5 T magnetic field. In the presence of the field, the electron temperature is increased with distance from the target, while the density showed opposite effects. C1 [Roy, Amitava; Hassan, Syed M.; Hassanein, Ahmed] Purdue Univ, Sch Nucl Engn, W Lafayette, IN 47907 USA. [Roy, Amitava; Hassan, Syed M.; Hassanein, Ahmed] Purdue Univ, Ctr Mat Extreme Environm, W Lafayette, IN 47907 USA. [Roy, Amitava; Endo, Akira; Mocek, Tomas] Inst Phys ASCR, HiLASE Ctr, Dolni Brezany, Czech Republic. [Harilal, Sivanandan S.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Roy, A (reprint author), Purdue Univ, Sch Nucl Engn, W Lafayette, IN 47907 USA. EM roy@fzu.cz; hari@pnnl.gov RI Mocek, Tomas/G-5344-2014; Harilal, Sivanandan/B-5438-2014; Endo, Akira/G-6268-2014 OI Harilal, Sivanandan/0000-0003-2266-7976; FU U.S. National Science Foundation (PIRE project); European Regional Development Fund; European Social Fund; state budget of the Czech Republic [CZ.1.05/2.1.00/01.0027, CZ.1.07/2.3.00/20.0143, CZ.1.07/2.3.00/30.0057]; U.S. Department of Energy [DE-AC05-76RL01830] FX This work was supported in part by the U.S. National Science Foundation (PIRE project) and co-financed by the European Regional Development Fund, the European Social Fund and the state budget of the Czech Republic (Project HiLASE: CZ.1.05/2.1.00/01.0027, Project DPSSLasers: CZ.1.07/2.3.00/20.0143, Project Postdok: CZ.1.07/2.3.00/30.0057). Pacific Northwest National Laboratory, a multi-program national laboratory operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830 NR 32 TC 6 Z9 6 U1 3 U2 11 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0263-0346 EI 1469-803X J9 LASER PART BEAMS JI Laser Part. Beams PD JUN PY 2015 VL 33 IS 2 BP 175 EP 182 DI 10.1017/S0263034615000075 PG 8 WC Physics, Applied SC Physics GA CJ1ZV UT WOS:000355284700007 ER PT J AU Csernai, LP Strottman, DD AF Csernai, L. P. Strottman, D. D. TI Volume ignition via time-like detonation in pellet fusion SO LASER AND PARTICLE BEAMS LA English DT Article DE Radiation-dominated ignition; Time-like detonation ID ULTRAHIGH ACCELERATION; LASER; PULSES AB Relativistic fluid dynamics and the theory of relativistic detonation fronts are used to estimate the space-time dynamics of the burning of the Deuterium-Tritium fuel in laser-driven pellet fusion experiments. The initial High foot heating of the fuel makes the compressed target transparent to radiation, and then a rapid ignition pulse can penetrate and heat up the whole target to supercritical temperatures in a short time, so that most of the interior of the target ignites almost simultaneously and instabilities will have no time to develop. In these relativistic, radiation-dominated processes both the interior, time-like burning front, and the surrounding space-like part of the front will be stable against Rayleigh-Taylor instabilities. To achieve this rapid, volume ignition the pulse heating up the target to supercritical temperature should provide the required energy in less than 10 ps. C1 [Csernai, L. P.] Univ Bergen, Inst Phys & Technol, Bergen, Norway. [Strottman, D. D.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Csernai, LP (reprint author), Univ Bergen, Bergen, Hordaland, Norway. EM csernai@ift.uib.no NR 20 TC 0 Z9 0 U1 1 U2 6 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0263-0346 EI 1469-803X J9 LASER PART BEAMS JI Laser Part. Beams PD JUN PY 2015 VL 33 IS 2 BP 279 EP 282 DI 10.1017/S0263034615000397 PG 4 WC Physics, Applied SC Physics GA CJ1ZV UT WOS:000355284700019 ER PT J AU Nabelek, L Mazanec, M Kdyr, S Kletetschka, G AF Nabelek, Ladislav Mazanec, Martin Kdyr, Simon Kletetschka, Gunther TI Magnetic, insitu, mineral characterization of Chelyabinsk meteorite thin section SO METEORITICS & PLANETARY SCIENCE LA English DT Article ID GRAIN-SIZE; PHYSICAL-PROPERTIES; ANOMALIES; ASTEROIDS; CHONDRITE; ORIGIN; HEMATITE; ROCKS; MARS AB Magnetic images of Chelyabinsk meteorite's (fragment F1 removed from Chebarkul lake) thin section have been unraveled by a magnetic scanning system from Youngwood Science and Engineering (YSE) capable of resolving magnetic anomalies down to 10(-3) mT range from about 0.3mm distance between the probe and meteorite surface (resolution about 0.15mm). Anomalies were produced repeatedly, each time after application of magnetic field pulse of varying amplitude and constant, normal or reversed, direction. This process resulted in both magnetizing and demagnetizing of the meteorite thin section, while keeping the magnetization vector in the plane of the thin section. Analysis of the magnetic data allows determination of coercivity of remanence (B-cr) for the magnetic sources insitu. Value of B-cr is critical for calculating magnetic forces applicable during missions to asteroids where gravity is compromised. B-cr was estimated by two methods. First method measured varying dipole magnetic field strength produced by each anomaly in the direction of magnetic pulses. Second method measured deflections of the dipole direction from the direction of magnetic pulses. B-cr of magnetic sources in Chelyabinsk meteorite ranges between 4 and 7mT. These magnetic sources enter their saturation states when applying 40mT external magnetic field pulse. C1 [Nabelek, Ladislav; Mazanec, Martin; Kdyr, Simon; Kletetschka, Gunther] Acad Sci Czech Republic, Inst Geol, Vvi, Prague, Czech Republic. [Nabelek, Ladislav; Mazanec, Martin; Kdyr, Simon; Kletetschka, Gunther] Charles Univ Prague, Fac Sci, Prague 12843 2, Czech Republic. [Kletetschka, Gunther] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Kletetschka, G (reprint author), Acad Sci Czech Republic, Inst Geol, Vvi, Prague, Czech Republic. EM kletetschka@gmail.com RI Kletetschka, Gunther/C-9996-2011 OI Kletetschka, Gunther/0000-0002-0645-9037 FU Research Plans of the Institute of Geology AS CR, MEYS [RVO67985831, LK21303] FX We thank Natalia Bezaeva, Tomas Kohout, and Ed Scott for reviewing this manuscript. We thank Martin Racek for helping with running the microprobe analysis. We also thank Darja Kawasumiova, Andrei Orlov, Sergei Zacharov, and Jan Vyhnanek for helping with collecting the Chelyabinsk meteorite samples. Additional help was provided by Petr Schnabl, Jolana Hruba, Kamila Malkova, Marian Takac, and Radana Kavkova. This research is supported by Research Plans of the Institute of Geology AS CR Nos. RVO67985831, MEYS grant LK21303. NR 32 TC 3 Z9 3 U1 2 U2 19 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1086-9379 EI 1945-5100 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUN PY 2015 VL 50 IS 6 BP 1112 EP 1121 DI 10.1111/maps.12448 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CJ1WQ UT WOS:000355276100007 ER PT J AU Branco, S Gladieux, P Ellison, CE Kuo, A LaButti, K Lipzen, A Grigoriev, IV Liao, HL Vilgalys, R Peay, KG Taylor, JW Bruns, TD AF Branco, Sara Gladieux, Pierre Ellison, Christopher E. Kuo, Alan LaButti, Kurt Lipzen, Anna Grigoriev, Igor V. Liao, Hui-Ling Vilgalys, Rytas Peay, Kabir G. Taylor, John W. Bruns, Thomas D. TI Genetic isolation between two recently diverged populations of a symbiotic fungus SO MOLECULAR ECOLOGY LA English DT Article DE adaptation; mycorrhizal fungi; population genomics; Suillus brevipes ID ECTOMYCORRHIZAL BASIDIOMYCETE; RHIZOPOGON-VINICOLOR; SPECIES RICHNESS; LOCAL ADAPTATION; RUSSULA-BREVIPES; GENOMICS; ISLANDS; MECHANISMS; DISPERSAL; INSIGHTS AB Fungi are an omnipresent and highly diverse group of organisms, making up a significant part of eukaryotic diversity. Little is currently known about the drivers of fungal population differentiation and subsequent divergence of species, particularly in symbiotic, mycorrhizal fungi. Here, we investigate the population structure and environmental adaptation in Suillus brevipes (Peck) Kuntze, a wind-dispersed soil fungus that is symbiotic with pine trees. We assembled and annotated the reference genome for Su.brevipes and resequenced the whole genomes of 28 individuals from coastal and montane sites in California. We detected two clearly delineated coast and mountain populations with very low divergence. Genomic divergence was restricted to few regions, including a region of extreme divergence containing a gene encoding for a membrane Na+/H+ exchanger known for enhancing salt tolerance in plants and yeast. Our results are consistent with a very recent split between the montane and coastal Su.brevipes populations, with few small genomic regions under positive selection and a pattern of dispersal and/or establishment limitation. Furthermore, we identify a putatively adaptive gene that motivates further functional analyses to link genotypes and phenotypes and shed light on the genetic basis of adaptive traits. C1 [Branco, Sara; Taylor, John W.; Bruns, Thomas D.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Gladieux, Pierre] Lab Ecol Systemat & Evolut, F-91405 Orsay, France. [Gladieux, Pierre] CNRS, F-91405 Orsay, France. [Ellison, Christopher E.] Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA. [Kuo, Alan; LaButti, Kurt; Lipzen, Anna; Grigoriev, Igor V.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. [Liao, Hui-Ling; Vilgalys, Rytas] Duke Univ, Dept Biol, Durham, NC 27708 USA. [Peay, Kabir G.] Stanford Univ, Dept Biol, Stanford, CA 94305 USA. RP Branco, S (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. EM sara.mayer.branco@gmail.com RI Gladieux, Pierre/D-1014-2014; OI Gladieux, Pierre/0000-0003-1929-1576; Peay, Kabir/0000-0002-7998-7412; Vilgalys, Rytas/0000-0001-8299-3605 FU National Science Foundation [DBI 1046115]; U.S. Department of Energy Joint Genome Institute, a DOE Office of Science User Facility [DE-AC02-05CH11231]; [FP7-PEOPLE-2010-IOF-No.273086] FX We thank Holly Edes for technical assistance, the Computational Genomics Resource Laboratory at the University of California, Berkeley for assistance with computational analysis, Joey Spatafora and the 1000 Fungal Genomes Project for the Suillus brevipes reference genome and annotation, Ben Wilson and Philipp Messer for sharing scripts to perform selective sweep analysis and Megan Phifer-Rixey for comments on an earlier draft. Financial support was supported by National Science Foundation grant DBI 1046115. The work conducted by the U.S. Department of Energy Joint Genome Institute, a DOE Office of Science User Facility, is supported under Contract No. DE-AC02-05CH11231. A Marie Curie postdoctoral fellowship was awarded to PG (FP7-PEOPLE-2010-IOF-No.273086). NR 62 TC 15 Z9 15 U1 6 U2 53 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 2015 VL 24 IS 11 BP 2747 EP 2758 DI 10.1111/mec.13132 PG 12 WC Biochemistry & Molecular Biology; Ecology; Evolutionary Biology SC Biochemistry & Molecular Biology; Environmental Sciences & Ecology; Evolutionary Biology GA CJ1FS UT WOS:000355228800013 PM 25728665 ER PT J AU Wieder, WR Cleveland, CC Smith, WK Todd-Brown, K AF Wieder, William R. Cleveland, Cory C. Smith, W. Kolby Todd-Brown, Katherine TI Future productivity and carbon storage limited by terrestrial nutrient availability SO NATURE GEOSCIENCE LA English DT Article ID TROPICAL RAIN-FOREST; PHOSPHORUS LIMITATION; NITROGEN; CO2; CLIMATE; ECOSYSTEMS; FEEDBACKS; BIOSPHERE; RESPONSES AB The size of the terrestrial sink remains uncertain. This uncertainty presents a challenge for projecting future climate-carbon cycle feedbacks(1-4). Terrestrial carbon storage is dependent on the availability of nitrogen for plant growth(5-8), and nitrogen limitation is increasingly included in global models(9-11). Widespread phosphorus limitation in terrestrial ecosystems(12) may also strongly regulate the global carbon cycle(13-15), but explicit considerations of phosphorus limitation in global models are uncommon(16). Here we use global state-of-the-art coupled carbon-climate model projections of terrestrial net primary productivity and carbon storage from 1860-2100; estimates of annual new nutrient inputs from deposition, nitrogen fixation, and weathering; and estimates of carbon allocation and stoichiometry to evaluate how simulated CO2 fertilization effects could be constrained by nutrient availability. We find that the nutrients required for the projected increases in net primary productivity greatly exceed estimated nutrient supply rates, suggesting that projected productivity increases may be unrealistically high. Accounting for nitrogen and nitrogen-phosphorus limitation lowers projected end-of-century estimates of net primary productivity by 19% and 25%, respectively, and turns the land surface into a net source of CO2 by 2100. We conclude that potential effects of nutrient limitation must be considered in estimates of the terrestrial carbon sink strength through the twenty-first century. C1 [Wieder, William R.] Natl Ctr Atmospher Res, Climate & Global Dynam Div, POB 3000, Boulder, CO 80307 USA. [Wieder, William R.] Univ Colorado, Inst Arctic & Alpine Res, Boulder, CO 80309 USA. [Cleveland, Cory C.; Smith, W. Kolby] Univ Montana, Dept Ecosyst & Conservat Sci, Missoula, MT 59812 USA. [Todd-Brown, Katherine] Univ Minnesota, Inst Environm, St Paul, MN 55108 USA. [Todd-Brown, Katherine] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99354 USA. RP Wieder, WR (reprint author), Natl Ctr Atmospher Res, Climate & Global Dynam Div, POB 3000, Boulder, CO 80307 USA. EM wwieder@ucar.edu OI Todd-Brown, Katherine/0000-0002-3109-8130; WIEDER, WILLIAM/0000-0001-7116-1985 FU National Science Foundation (NSF); NSF [EF-1048481]; Andrew W. Mellon Foundation FX We appreciate suggestions from A. Ballantyne, G. Bonan, D. Lombardozzi, N. Mahowald and S. Vicca whose input clarified and improved this manuscript. The National Center for Atmospheric Research is sponsored by the National Science Foundation (NSF). This work was supported by NSF grant EF-1048481 to W.R.W. and a grant from the Andrew W. Mellon Foundation to C.C.C. We acknowledge the World Climate Research Programme's Working Group on Coupled Modeling, the US Department of Energy's Program for Climate Model Diagnosis and Intercomparison, and the Global Organization for Earth System Science Portals. NR 30 TC 46 Z9 46 U1 22 U2 145 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1752-0894 EI 1752-0908 J9 NAT GEOSCI JI Nat. Geosci. PD JUN PY 2015 VL 8 IS 6 BP 441 EP 444 DI 10.1038/NGEO2413 PG 4 WC Geosciences, Multidisciplinary SC Geology GA CJ1IE UT WOS:000355236500014 ER PT J AU Dorado, B Uberuaga, BP Marks, NA Stanek, CR AF Dorado, B. Uberuaga, B. P. Marks, N. A. Stanek, C. R. TI Accelerated chemical aging of crystalline nuclear waste forms: A density functional theory study of (CdxAg1-xS)-Cd-109-Ag-109 SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Cadmium sulfide; Silver sulfide; Nuclear waste forms; Transmutation; Density functional theory ID RADIATION TOLERANCE; CDS; PLUTONIUM; CERAMICS; WURTZITE; OXIDES; ALPHA AB Recently, a combined experimental theoretical approach to assess the effect of daughter product formation on the stability of crystalline compounds comprised of radioisotopes has been developed. This methodology was motivated by the potential impact on crystalline nuclear waste form stability of a significant fraction of the constituent atoms undergoing transmutation. What is particularly novel about this approach is the experimental use of very short-lived isotopes to accelerate the chemical evolution that occurs during decay. In this paper, we present results of density functional theory (DFT) calculations that have been performed in support of corresponding experiments on the (CdxAg1-xS)-Cd-109-Ag-109 material system. Cd-109 has been selected in order to simulate the decay of important "short-lived" fission products Cs-137 or Sr-90 (which decay via beta- to Ba-137 and Zr-90 respectively with approximate to 30-year half-lives). By comparison, Cd-109 decays by electron capture with a half-life of 109 days to Ag-109. DFT results predict the formation of heretofore unobserved CdxAg1-xS structures, which support corresponding experiments and ultimately may have implications for waste form stability. Published by Elsevier B.V. C1 [Dorado, B.] CEA, DAM, DIF, F-91297 Arpajon, France. [Dorado, B.; Uberuaga, B. P.; Stanek, C. R.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Marks, N. A.] Curtin Univ, Discipline Phys & Astron, Perth, WA 6845, Australia. RP Stanek, CR (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM stanek@lanl.gov RI Marks, Nigel/F-6084-2010 OI Marks, Nigel/0000-0003-2372-1284 FU US Department of Energy through the LANL LDRD Program; Australian Research Council [DP1097076, FT120100924] FX BD, BPU and CRS acknowledge the support of the US Department of Energy through the LANL LDRD Program. NAM acknowledges the support of the Australian Research Council (DP1097076 and FT120100924) and computational resources from National Computational Infrastructure and the iVEC Facility at Murdoch University. NR 26 TC 0 Z9 0 U1 2 U2 13 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 2015 VL 352 BP 130 EP 134 DI 10.1016/j.nimb.2014.12.033 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI8WU UT WOS:000355053200029 ER PT J AU Sheppard, D Mazevet, S Cherne, FJ Albers, RC Kadau, K Germann, TC Kress, JD Collins, LA AF Sheppard, D. Mazevet, S. Cherne, F. J. Albers, R. C. Kadau, K. Germann, T. C. Kress, J. D. Collins, L. A. TI Dynamical and transport properties of liquid gallium at high pressures SO PHYSICAL REVIEW E LA English DT Article ID AUGMENTED-WAVE METHOD; ELECTRONIC-PROPERTIES; PSEUDOPOTENTIALS; METALS; STATE; GA AB Quantum molecular dynamics (QMD) simulations are used to calculate the equation of state, structure, and transport properties of liquid gallium along the principal shock Hugoniot. The calculated Hugoniot is in very good agreement with experimental data up to a pressure of 150 GPa as well as with our earlier classical molecular dynamics calculations using a modified embedded atom method (MEAM) potential. The self-diffusion and viscosity calculated using QMD agree with experimental measurements better than the MEAM results, which we attribute to capturing the complexity of the electronic structure at elevated temperatures. Calculations of the DC conductivity were performed around the Hugoniot. Above a density of 7.5 g/cm(3), the temperature increases rapidly along the Hugoniot, and the optical conductivity decreases, indicating simple liquid metal behavior. C1 [Sheppard, D.; Cherne, F. J.; Albers, R. C.; Germann, T. C.; Kress, J. D.; Collins, L. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Mazevet, S.] CEA, DAM, DIF, F-91287 Arapajon, France. [Mazevet, S.] Univ Paris Diderot, CNRS, Observ Paris, LUTH UMR 8102, F-92195 Meudon, France. [Kadau, K.] Siemens Energy Inc, Charlotte, NC USA. RP Sheppard, D (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM danielsheppard@lanl.gov OI Cherne, Frank/0000-0002-8589-6058; Germann, Timothy/0000-0002-6813-238X FU LANL Laboratory Directed Research and Development Project [LDRD-20050107DR]; U.S. Department of Energy [DE-AC52-06NA25396] FX We acknowledge funding for this work under the LANL Laboratory Directed Research and Development Project No. LDRD-20050107DR, "Methodologies to measure material response during dynamic loading at microscopic times and length scales." Los Alamos National Laboratory is operated under U.S. Department of Energy Contract No. DE-AC52-06NA25396. We also acknowledge our colleagues who have provided useful comments in the preparation of this paper, especially Cindy Bolme, Jim Glownia, Brad Holian, and Ramon Ravelo. NR 36 TC 1 Z9 1 U1 6 U2 24 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 JUN 1 PY 2015 VL 91 IS 6 AR 063101 DI 10.1103/PhysRevE.91.063101 PG 8 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA CJ3WA UT WOS:000355413700003 PM 26172802 ER PT J AU Labouriau, A Cady, C Gill, J Stull, J Ortiz-Acosta, D Henderson, K Hartung, V Quintana, A Celina, M AF Labouriau, Andrea Cady, Carl Gill, John Stull, Jamie Ortiz-Acosta, Denisse Henderson, Kevin Hartung, Vaughn Quintana, Adam Celina, Mathew TI Gamma irradiation and oxidative degradation of a silica-filled silicone elastomer SO POLYMER DEGRADATION AND STABILITY LA English DT Article DE PDMS; Irradiation; Oxidative degradation; Radiolysis ID ELECTRON-SPIN-RESONANCE; DIFFUSION-LIMITED OXIDATION; STATISTICAL-MECHANICS; RADIATION-CHEMISTRY; POLYMERS; POLYDIMETHYLSILOXANE; NETWORKS; OXYGEN; EPR; CRYSTALLIZATION AB The radiation oxidative degradation of a commonly used silica-filled silicone elastomer DC745 was investigated by a series of experimental techniques. This elastomer is known to be chemically and thermally stable, but insufficient data exist on its radiation resistance. In the present work, gamma doses up to 200 kGy were applied under air at room temperature and 1 Gy/s. Chemical changes due to radiation were investigated by NMR, FT-IR, resonance Raman, and mass spectroscopy. DSC and TGA experiments probed thermal transitions and thermal stability changes with exposure dose. SEM probed variations on the surface of the elastomer, and changes in the polymer network were investigated using solvent swelling methods. Electron paramagnetic resonance (EPR) was employed to detect and identify free radicals. Uniaxial compression load tests at variable temperatures were performed to assess changes in the material's mechanical response as a function of radiation dose. Results demonstrate that, with increasing exposure, DC745 undergoes changes in chemistry that lead to an increase in thermal stability and cross-link density, formation of free radical species, decrease in heat of fusion and increase in stiffness at low temperatures. Taken together, these results indicate that oxidative cross-linking is the dominant radiolysis mechanism that occurs when this material is exposed to gamma irradiation in air. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Labouriau, Andrea; Gill, John; Ortiz-Acosta, Denisse] Los Alamos Natl Lab, Chem Diagnost & Engn, Los Alamos, NM 87545 USA. [Cady, Carl; Stull, Jamie; Henderson, Kevin; Hartung, Vaughn] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Quintana, Adam; Celina, Mathew] Sandia Natl Labs, Mat Characterizat & Performance Dept, Albuquerque, NM 87185 USA. RP Labouriau, A (reprint author), Los Alamos Natl Lab, Chem Diagnost & Engn, POB 1663, Los Alamos, NM 87545 USA. EM andrea@lanl.gov OI Labouriau, Andrea/0000-0001-8033-9132 FU Enhanced Surveillance Campaign; US Department of Energy's National Nuclear Security Administration [DE-AC52-06NA25396] FX We thank Don Hanson and Maryla Wasiolek from Sandia National Laboratories for their help with experiments performed at the GIF. This work was funded by the Enhanced Surveillance Campaign, and the US Department of Energy's National Nuclear Security Administration under contract DE-AC52-06NA25396. NR 42 TC 5 Z9 5 U1 4 U2 27 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 2015 VL 116 BP 62 EP 74 DI 10.1016/j.polymdegradstab.2015.03.009 PG 13 WC Polymer Science SC Polymer Science GA CJ2XU UT WOS:000355348800007 ER PT J AU Thompson, MC Cascio, D Leibly, DJ Yeates, TO AF Thompson, Michael C. Cascio, Duilio Leibly, David J. Yeates, Todd O. TI An allosteric model for control of pore opening by substrate binding in the EutL microcompartment shell protein SO PROTEIN SCIENCE LA English DT Article DE bacterial microcompartment; allostery; conformational change; ethanolamine metabolism; X-ray crystallography; ligand-binding ID ETHANOLAMINE AMMONIA-LYASE; SALMONELLA-TYPHIMURIUM; ESCHERICHIA-COLI; INTESTINAL MICROFLORA; MICROBIAL ECOLOGY; RADIATION-DAMAGE; NUCLEIC-ACIDS; GUT FLORA; IDENTIFICATION; BACTERIA AB The ethanolamine utilization (Eut) microcompartment is a protein-based metabolic organelle that is strongly associated with pathogenesis in bacteria that inhabit the human gut. The exterior shell of this elaborate protein complex is composed from a few thousand copies of BMC-domain shell proteins, which form a semi-permeable diffusion barrier that provides the interior enzymes with substrates and cofactors while simultaneously retaining metabolic intermediates. The ability of this protein shell to regulate passage of substrate and cofactor molecules is critical for microcompartment function, but the details of how this diffusion barrier can allow the passage of large cofactors while still retaining small intermediates remain unclear. Previous work has revealed two conformations of the EutL shell protein, providing substantial evidence for a gated pore that might allow the passage of large cofactors. Here we report structural and biophysical evidence to show that ethanolamine, the substrate of the Eut microcompartment, acts as a negative allosteric regulator of EutL pore opening. Specifically, a series of X-ray crystal structures of EutL from Clostridium perfringens, along with equilibrium binding studies, reveal that ethanolamine binds to EutL at a site that exists in the closed-pore conformation and which is incompatible with opening of the large pore for cofactor transport. The allosteric mechanism we propose is consistent with the cofactor requirements of the Eut microcompartment, leading to a new model for EutL function. Furthermore, our results suggest the possibility of redox modulation of the allosteric mechanism, opening potentially new lines of investigation. C1 [Thompson, Michael C.; Leibly, David J.; Yeates, Todd O.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Cascio, Duilio; Yeates, Todd O.] Univ Calif Los Angeles, UCLA DOE Inst Genom & Prote, Los Angeles, CA 90095 USA. RP Yeates, TO (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, 611 Charles E Young Dr E, Los Angeles, CA 90095 USA. EM yeates@mbi.ucla.edu OI Yeates, Todd/0000-0001-5709-9839 FU NIH [R01AI081146]; Ruth L. Kirschstein National Research Service Award; DOE [DE-FC02-02ER63421]; National Institutes of Health [RR-15301]; DOE, Office of Basic Energy Sciences [DE-AC02-06CH11357]; BER program, DOE Office of Science FX Grant sponsor: NIH; Grant number: R01AI081146 (to T.O.Y.); Grant sponsor: Ruth L. Kirschstein National Research Service Award (to M.C.T.).; Grant sponsor: DOE; Grant number: DE-FC02-02ER63421.; Grant sponsor: National Institutes of Health Grant; Grant number: RR-15301 (to N.C.R.R.); Grant sponsor: DOE, Office of Basic Energy Sciences; Grant number: DE-AC02-06CH11357; Grant sponsor: BER program, DOE Office of Science. NR 72 TC 6 Z9 6 U1 3 U2 6 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 2015 VL 24 IS 6 BP 956 EP 975 DI 10.1002/pro.2672 PG 20 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CJ0FM UT WOS:000355151200005 PM 25752492 ER PT J AU Hall, DK Crawford, CJ DiGirolamo, NE Riggs, GA Foster, JL AF Hall, Dorothy K. Crawford, Christopher J. DiGirolamo, Nicolo E. Riggs, George A. Foster, James L. TI Detection of earlier snowmelt in the Wind River Range, Wyoming, using Landsat imagery, 1972-2013 SO REMOTE SENSING OF ENVIRONMENT LA English DT Article DE Wind River Range; Snowmelt; Snow-cover depletion curves; Landsat; MODIS ID WESTERN UNITED-STATES; NORTH-AMERICA; CONTINENTAL GLACIER; COVER; SNOWPACK; MODIS; VARIABILITY; STREAMFLOW; USA; PRECIPITATION AB In the western United States snow has been melting earlier in recent decades due to warmer winter and spring weather. This is particularly noticeable in the Pacific Northwest and coastal areas, yet has been less obvious in locations farther inland. Using the historical Landsat image archive, snow cover was mapped in the Wind River Range (WRR) in northwestern Wyoming, from 1972-2013. The objective of this work was to estimate the temporal change in the rate of snowmelt in the Fremont Lake basin of the WRR for the 42-year study period. Much of the streamflow in Wyoming originates from melting snow in the WRR. Streamflow is a significant contributor to the water resources for the north-central part of the state and has tremendous societal and economic impacts especially during the prolonged drought that is affecting the western U.S. Consistent with the ongoing and severe drought, data from the Pine Creek Above Fremont Lake gauge show a striking reduction in cumulative stream discharge in the 2000s vs. the decades of the 1970s, 1980s and 1990s. Snow-cover depletion curves derived from snow maps created from Landsat imagery were generated for the period 1972-2013. MODerate-Resolution Imaging Spectroradiometer (MODIS)-derived standard snow-cover maps were also used to generate snow-cover depletion curves, from 2000-2013, to provide an accuracy assessment of the Landsat technique. Landsat-derived mean snow-cover depletion curves from 2000-2013 and from the three previous decades, show that snow cover in the Fremont lake basin is melting 16 +/- 10 days earlier, on average, in the 2000s compared to the period from 1972-1999. Increasing spring and summer nighttime air temperature is the likely driver of the earlier snowmelt documented in the Landsat record. (C) 2015 Published by Elsevier Inc. C1 [Hall, Dorothy K.] NASA, Cryospher Sci Lab, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Crawford, Christopher J.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA. [DiGirolamo, Nicolo E.; Riggs, George A.] Sci Syst & Applicat Inc, Lanham, MD 20706 USA. [Foster, James L.] NASA, Goddard Space Flight Ctr, Hydrol Sci Lab, Greenbelt, MD 20771 USA. RP Hall, DK (reprint author), NASA, Cryospher Sci Lab, Goddard Space Flight Ctr, Code 615, Greenbelt, MD 20771 USA. FU NASA through the MODIS Science Team and Earth Observing System Program; NASA Postdoctoral Program [NNH06CC03B] FX The research conducted at Goddard Space Flight Center (GSFC) was supported by NASA through the MODIS Science Team and Earth Observing System Program. Christopher J. Crawford was funded through a NASA Postdoctoral Program (NNH06CC03B) appointment at the Goddard Space Flight Center administrated by Oak Ridge Associated Universities. Valuable discussions were held with personnel at the Pinedale Ranger District in Wyoming providing much useful information that inspired this work. NR 44 TC 3 Z9 3 U1 5 U2 26 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0034-4257 EI 1879-0704 J9 REMOTE SENS ENVIRON JI Remote Sens. Environ. PD JUN 1 PY 2015 VL 162 BP 45 EP 54 DI 10.1016/j.rse.2015.01.032 PG 10 WC Environmental Sciences; Remote Sensing; Imaging Science & Photographic Technology SC Environmental Sciences & Ecology; Remote Sensing; Imaging Science & Photographic Technology GA CI8WI UT WOS:000355052000004 ER PT J AU Dong, JW Xiao, XM Wagle, P Zhang, GL Zhou, YT Jin, C Torn, MS Meyers, TP Suyker, AE Wang, JB Yan, HM Biradar, C Moore, B AF Dong, Jinwei Xiao, Xiangming Wagle, Pradeep Zhang, Geli Zhou, Yuting Jin, Cui Torn, Margaret S. Meyers, Tilden P. Suyker, Andrew E. Wang, Junbang Yan, Huimin Biradar, Chandrashekhar Moore, Berrien, III TI Comparison of four EVI-based models for estimating gross primary production of maize and soybean croplands and tallgrass prairie under severe drought SO REMOTE SENSING OF ENVIRONMENT LA English DT Article DE Gross primary production (GPP); Drought; Light use efficiency (LUE); Vegetation Photosynthesis Model (VPM); Temperature and Greenness (TG) model; Greenness and Radiation (GR) model; Vegetation Index (VI) model ID LIGHT-USE EFFICIENCY; NET ECOSYSTEM EXCHANGE; PHOTOSYNTHETICALLY ACTIVE RADIATION; EVERGREEN NEEDLELEAF FOREST; DECIDUOUS BROADLEAF FOREST; ENHANCED VEGETATION INDEX; MODIS IMAGERY; TERRESTRIAL GROSS; REMOTE ESTIMATION; HARVARD FOREST AB Accurate estimation of gross primary production (GPP) is critical for understanding ecosystem response to climate variability and change. Satellite-based diagnostic models, which use satellite images and/or climate data as input, are widely used to estimate GPP. Many models used the Normalized Difference Vegetation Index (NDVI) to estimate the fraction of absorbed photosynthetically active radiation (PAR) by vegetation canopy (FPAR(canopy)) and GPP. Recently, the Enhanced Vegetation Index (EVI) has been increasingly used to estimate the fraction of PAR absorbed by chlorophyll (FPAR(chl)) or green leaves (FPAR(green)) and to provide more accurate estimates of GPP in such models as the Vegetation Photosynthesis Model (VPM), Temperature and Greenness (TG) model, Greenness and Radiation (GR) model, and Vegetation Index (VI) model. Although these EVI-based models perform well under non-drought conditions, their performances under severe droughts are unclear. In this study, we run the four EVI-based models at three AmeriFlux sites (rainfed soybean, irrigated maize, and grassland) during drought and non-drought years to examine their sensitivities to drought. As all the four models use EVI for FPAR estimate, our hypothesis is that their different sensitivities to drought are mainly attributed to the ways they handle light use efficiency CLUE), especially water stress. The predicted GPP from these four models had a good agreement with the GPP estimated from eddy flux tower in non-drought years with root mean squared errors (RMSEs) in the order of 2.17 (VPM), 2.47 (VI), 2.85 (GR) and 3.10 g C m(-2) day(-1) (TG). But their performances differed in drought years, the VPM model performed best, followed by the VI, GR and TG, with the RMSEs of 1.61, 232, 3.16 and 3.90 g C m(-2) day-1 respectively. TG and GR models overestimated seasonal sum of GPP by 20% to 61% in rainfed sites in drought years and also overestimated or underestimated GPP in the irrigated site. This difference in model performance under severe drought is attributed to the fact that the VPM uses satellite-based Land Surface Water Index (LSWI) to address the effect of water stress (deficit) on LUE and GPP, while the other three models do not have such a mechanism. This study suggests that it is essential for these models to consider the effect of water stress on GPP, in addition to using EVI to estimate FPAR, if these models are applied to estimate GPP under drought conditions. (C) 2015 Elsevier Inc All rights reserved. C1 [Dong, Jinwei; Xiao, Xiangming; Wagle, Pradeep; Zhang, Geli; Zhou, Yuting; Jin, Cui] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Dong, Jinwei; Xiao, Xiangming; Wagle, Pradeep; Zhang, Geli; Zhou, Yuting; Jin, Cui] Univ Oklahoma, Ctr Spatial Anal, Norman, OK 73019 USA. [Xiao, Xiangming] Fudan Univ, Inst Biodivers Sci, Shanghai 200433, Peoples R China. [Torn, Margaret S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Atmospher Sci, Berkeley, CA 94720 USA. [Meyers, Tilden P.] NOAA, Atmospher Turbulence & Diffus Div, ARL, Oak Ridge, TN 37831 USA. [Suyker, Andrew E.] Univ Nebraska, Sch Nat Resource, Lincoln, NE 68583 USA. [Wang, Junbang; Yan, Huimin] Chinese Acad Sci, Inst Geog Sci & Nat Resources Res, Beijing 100101, Peoples R China. [Biradar, Chandrashekhar] Int Ctr Agr Res Dry Areas, Consultat Grp Int Agr Res, Amman 11195, Jordan. [Moore, Berrien, III] Univ Oklahoma, Coll Atmospher & Geog Sci, Norman, OK 73019 USA. RP Dong, JW (reprint author), Univ Oklahoma, Dept Microbiol & Plant Biol, 101 David L Boren Blvd, Norman, OK 73019 USA. EM Jinwei.dong@ou.edu; xiangming.xiao@ou.edu RI Dong, Jinwei/C-4949-2009; Meyers, Tilden/C-6633-2016; Torn, Margaret/D-2305-2015; Zhang, Geli/O-2641-2013; OI Dong, Jinwei/0000-0001-5687-803X; Wagle, Pradeep/0000-0001-7444-0461 FU USDA National Institute for Food and Agriculture (NIFA)'s Agriculture and Food Research Initiative (AFRI), Regional Approaches for Adaptation to and Mitigation of Climate Variability and Change [2012-02355]; National Science Foundation EPSCoR [IIA-1301789]; U.S. Department of Energy (DOE), Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231, DE-FG03-00ER62996, DE-FG02-03ER63639, DE-EE0003149]; DOE-EPSCoR [DE-FG02-00ER45827]; NASA NACP [NNX08AI75G] FX This study was supported in part by a research grant (Project No. 2012-02355) through the USDA National Institute for Food and Agriculture (NIFA)'s Agriculture and Food Research Initiative (AFRI), Regional Approaches for Adaptation to and Mitigation of Climate Variability and Change, and a research grant from the National Science Foundation EPSCoR (IIA-1301789). The studied AmeriFlux sites were supported by the U.S. Department of Energy (DOE), Office of Science, Office of Biological and Environmental Research (Grants No. DE-AC02-05CH11231, DE-FG03-00ER62996, DE-FG02-03ER63639, and DE-EE0003149), DOE-EPSCoR (Grant No. DE-FG02-00ER45827), and NASA NACP (Grant No. NNX08AI75G). We thank Drs. Qingyuan Zhang, Jianyang Xia, Mr. Yao Zhang and two anonymous reviewers for their comments and suggestions on the previous version of the manuscript. NR 68 TC 15 Z9 15 U1 7 U2 63 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0034-4257 EI 1879-0704 J9 REMOTE SENS ENVIRON JI Remote Sens. Environ. PD JUN 1 PY 2015 VL 162 BP 154 EP 168 DI 10.1016/j.rse.2015.02.022 PG 15 WC Environmental Sciences; Remote Sensing; Imaging Science & Photographic Technology SC Environmental Sciences & Ecology; Remote Sensing; Imaging Science & Photographic Technology GA CI8WI UT WOS:000355052000012 ER PT J AU Grabowski, K Carlin, JL Newberg, HJ Beers, TC Chen, L Deng, LC Grillmair, CJ Guhathakurta, P Hou, JL Hou, YH Lepine, S Liu, C Liu, XW Luo, AL Smith, MC Yanny, B Zhang, HT Zhang, Y Zheng, Z AF Grabowski, Kathleen Carlin, Jeffrey L. Newberg, Heidi Jo Beers, Timothy C. Chen, Li Deng, Li-Cai Grillmair, Carl J. Guhathakurta, Puragra Hou, Jin-Liang Hou, Yong-Hui Lepine, Sebastien Liu, Chao Liu, Xiao-Wei Luo, A-Li Smith, Martin C. Yanny, Brian Zhang, Hao-Tong Zhang, Yong Zheng, Zheng TI Fixing the reference frame for PPMXL proper motions using extragalactic sources SO RESEARCH IN ASTRONOMY AND ASTROPHYSICS LA English DT Article DE catalogs; proper motions; surveys: LAMOST ID LAMOST PILOT SURVEY; GUOSHOUJING TELESCOPE LAMOST; VELOCITY EXPERIMENT RAVE; DIGITAL SKY SURVEY; DATA RELEASE; CATALOG; QUASARS; LEGUE; ERRORS; STARS AB We quantify and correct systematic errors in PPMXL proper motions using extragalactic sources from the first two LAMOST data releases and the Veron-Cetty & Veron Catalog of Quasars. Although the majority of the sources are from the Veron catalog, LAMOST makes important contributions in regions that are not well-sampled by previous catalogs, particularly at low Galactic latitudes and in the south Galactic cap. We show that quasars in PPMXL havemeasurable and significant propermotions, which reflect the systematic zero-point offsets present in the catalog. We confirm the global proper motion shifts seen by Wu et al., and additionally find smaller-scale fluctuations of the QSO-derived corrections to an absolute frame. We average the proper motions of 158 106 extragalactic objects in bins of 3 degrees x 3 degrees and present a table of proper motion corrections. C1 [Grabowski, Kathleen; Carlin, Jeffrey L.; Newberg, Heidi Jo] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. [Beers, Timothy C.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Beers, Timothy C.] Univ Notre Dame, JINA, Notre Dame, IN 46556 USA. [Chen, Li; Hou, Jin-Liang; Smith, Martin C.] Shanghai Astron Observ, Shanghai 200030, Peoples R China. [Deng, Li-Cai; Liu, Chao; Luo, A-Li; Zhang, Hao-Tong] Chinese Acad Sci, Natl Astron Observ, Key Lab Opt Astron, Beijing 100012, Peoples R China. [Grillmair, Carl J.] Spitzer Sci Ctr, Pasadena, CA 91125 USA. [Guhathakurta, Puragra] Univ Calif Santa Cruz, Univ Calif Observ, Lick Observ, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Hou, Yong-Hui; Zhang, Yong] Chinese Acad Sci, Natl Astron Observ, Nanjing Inst Astron Opt & Technol, Nanjing 210042, Jiangsu, Peoples R China. [Lepine, Sebastien] Georgia State Univ, Dept Phys & Astron, Atlanta, GA 30303 USA. [Liu, Xiao-Wei] Peking Univ, Kavli Inst Astron & Astrophys, Beijing 100871, Peoples R China. [Liu, Xiao-Wei] Peking Univ, Dept Astron, Beijing 100871, Peoples R China. [Yanny, Brian] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Zheng, Zheng] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. RP Grabowski, K (reprint author), Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, 110 8th St, Troy, NY 12180 USA. EM carlij@rpi.edu; newbeh@rpi.edu OI Carlin, Jeffrey/0000-0002-3936-9628 FU National Science Foundation [AST 09-37523]; Physics Frontier Center/Joint Institute for Nuclear Astrophysics (JINA) by US National Science Foundation; National Development and Reform Commission; [PHY 08-22648] FX This research is supported by the National Science Foundation under Grant AST 09-37523. T.C.B. acknowledges partial support for this work from grant PHY 08-22648; Physics Frontier Center/Joint Institute for Nuclear Astrophysics (JINA), awarded by the US National Science Foundation. The Guoshoujing Telescope (the Large Sky Area Multi-Object Fiber Spectroscopic Telescope, LAMOST) is a National Major Scientific Project built by the Chinese Academy of Sciences. Funding for the project has been provided by the National Development and Reform Commission. LAMOST is operated and managed by the National Astronomical Observatories, Chinese Academy of Sciences. NR 23 TC 2 Z9 2 U1 0 U2 5 PU NATL ASTRONOMICAL OBSERVATORIES, CHIN ACAD SCIENCES PI BEIJING PA 20A DATUN RD, CHAOYANG, BEIJING, 100012, PEOPLES R CHINA SN 1674-4527 J9 RES ASTRON ASTROPHYS JI Res. Astron. Astrophys. PD JUN PY 2015 VL 15 IS 6 BP 849 EP 859 DI 10.1088/1674-4527/15/6/007 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CJ0CB UT WOS:000355138900007 ER PT J AU Moyer, JA Gao, R Schiffer, P Martin, LW AF Moyer, Jarrett A. Gao, Ran Schiffer, Peter Martin, Lane W. TI Epitaxial growth of highly-crystalline spinel ferrite thin films on perovskite substrates for all-oxide devices SO SCIENTIFIC REPORTS LA English DT Article ID MAGNETIC-PROPERTIES; VERWEY TRANSITION; COMPLEX OXIDES; FE3O4; NANOSTRUCTURES AB The potential growth modes for epitaxial growth of Fe3O4 on SrTiO3 (001) are investigated through control of the energetics of the pulsed-laser deposition growth process (via substrate temperature and laser fluence). We find that Fe3O4 grows epitaxially in three distinct growth modes: 2D-like, island, and 3D-to-2D, the last of which is characterized by films that begin growth in an island growth mode before progressing to a 2D growth mode. Films grown in the 2D-like and 3D-to-2D growth modes are atomically flat and partially strained, while films grown in the island growth mode are terminated in islands and fully relaxed. We find that the optimal structural, transport, and magnetic properties are obtained for films grown on the 2D-like/3D-to-2D growth regime boundary. The viability for including such thin films in perovskite-based all-oxide devices is demonstrated by growing a Fe3O4/La0.7Sr0.3MnO3 spin valve epitaxially on SrTiO3. C1 [Moyer, Jarrett A.; Schiffer, Peter] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Moyer, Jarrett A.; Gao, Ran; Schiffer, Peter; Martin, Lane W.] Univ Illinois, Mat Res Lab, Urbana, IL 61801 USA. [Gao, Ran; Martin, Lane W.] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Martin, Lane W.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Martin, Lane W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Moyer, JA (reprint author), Univ Illinois, Dept Phys, Urbana, IL 61801 USA. EM moyerja@illinois.edu; lwmartin@berkeley.edu RI Martin, Lane/H-2409-2011; OI Martin, Lane/0000-0003-1889-2513; Schiffer, Peter/0000-0002-6430-6549 FU National Science Foundation [DMR-1451219]; Army Research Office [W911NF-14-1-0104]; Air Force Office of Scientific Research [FA9550-12-1-0471] FX We acknowledge support from the National Science Foundation under grant DMR-1451219, the Army Research Office under grant W911NF-14-1-0104, and the Air Force Office of Scientific Research under grant FA9550-12-1-0471. The work presented here was carried out in part in the Materials Research Laboratory Central Research Facilities, University of Illinois. NR 47 TC 4 Z9 4 U1 5 U2 44 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 JUN 1 PY 2015 VL 5 AR 10363 DI 10.1038/srep10363 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CJ6IR UT WOS:000355598000001 PM 26030835 ER PT J AU Xing, GZ Fan, XF Zheng, WT Ma, YM Shi, HL Singh, DJ AF Xing, Guangzong Fan, Xiaofeng Zheng, Weitao Ma, Yanming Shi, Hongliang Singh, David J. TI Magnetism in Na-filled Fe-based skutterudites SO SCIENTIFIC REPORTS LA English DT Article ID GROUND-STATE PROPERTIES; AUGMENTED-WAVE METHOD; ELECTRONIC-STRUCTURE; TRANSITION-METALS; SUPERCONDUCTIVITY; ENERGY; HEAT; IRON AB The interplay of superconductivity and magnetism is a subject of ongoing interest, stimulated most recently by the discovery of Fe-based superconductivity and the recognition that spin-fluctuations near a magnetic quantum critical point may provide an explanation for the superconductivity and the order parameter. Here we investigate magnetism in the Na filled Fe-based skutterudites using first principles calculations. NaFe4Sb12 is a known ferromagnet near a quantum critical point. We find a ferromagnetic metallic state for this compound driven by a Stoner type instability, consistent with prior work. In accord with prior work, the magnetization is overestimated, as expected for a material near an itinerant ferromagnetic quantum critical point. NaFe4P12 also shows a ferromagnetic instability at the density functional level, but this instability is much weaker than that of NaFe4Sb12, possibly placing it on the paramagnetic side of the quantum critical point. NaFe4As12 shows intermediate behavior. We also present results for skutterudite FeSb3, which is a metastable phase that has been reported in thin film form. C1 [Xing, Guangzong; Fan, Xiaofeng; Zheng, Weitao] Jilin Univ, Coll Mat Sci & Engn, Changchun 130012, Peoples R China. [Ma, Yanming] Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China. [Shi, Hongliang; Singh, David J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Singh, DJ (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA. EM singhdj@ornl.gov RI Shi, Hongliang/A-7568-2010; Ma, Yanming/A-7297-2008; Ma, Yanming/A-4982-2009; Fan, Xiaofeng/B-9680-2011; OI Shi, Hongliang/0000-0003-0713-4688; Ma, Yanming/0000-0003-3711-0011; Fan, Xiaofeng/0000-0001-6288-4866; zheng, weitao/0000-0002-9028-278X FU Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; Natural Science Foundation of China [11025418] FX Work at ORNL was supported by the Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. YM acknowledges funding support from the Natural Science Foundation of China (Grant No. 11025418). NR 59 TC 3 Z9 3 U1 4 U2 31 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 JUN 1 PY 2015 VL 5 AR 10782 DI 10.1038/srep10782 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CJ6LF UT WOS:000355604600001 PM 26027504 ER PT J AU Summerer, L Wilcox, RE Bechtel, R Harbison, S AF Summerer, L. Wilcox, R. E. Bechtel, R. Harbison, S. TI The International Safety Framework for nuclear power source applications in outer space-Useful and substantial guidance SO ACTA ASTRONAUTICA LA English DT Article DE Nuclear power sources; Safety; Safety framework; COPUOS; STSC AB In 2009, the International Safety Framework for Nuclear Power Source Applications in Outer Space was adopted, following a multi-year process that involved all major space faring nations under the auspices of a partnership between the UN Committee on the Peaceful Uses of Outer Space and the International Atomic Energy Agency. The Safety Framework reflects an international consensus on best practices to achieve safety. Following the 1992 UN Principles Relevant to the Use of Nuclear Power Sources in Outer Space, it is the second attempt by the international community to draft guidance promoting the safety of applications of nuclear power sources in space missions. NPS applications in space have unique safety considerations compared with terrestrial applications. Mission launch and outer space operational requirements impose size, mass and other space environment limitations not present for many terrestrial nuclear facilities. Potential accident conditions could expose nuclear power sources to extreme physical conditions. The Safety Framework is structured to provide guidance for both the programmatic and technical aspects of safety. In addition to sections containing specific guidance for governments and for management, it contains technical guidance pertinent to the design, development and all mission phases of space NPS applications. All sections of the Safety Framework contain elements directly relevant to engineers and space mission designers for missions involving space nuclear power sources. The challenge for organisations and engineers involved in the design and development processes of space nuclear power sources and applications is to implement the guidance provided in the Safety Framework by integrating it into the existing standard space mission infrastructure of design, development and operational requirements, practices and processes. This adds complexity to the standard space mission and launch approval processes. The Safety Framework is deliberately generic to remain relevantly independent of technological progress, of national organisational setups and of space mission types. Implementing its guidance therefore leaves room for interpretation and adaptation. Relying on reported practices, we analyse the guidance particularly relevant to engineers and space mission designers. (C) 2015 IAA. Published by Elsevier Ltd. All rights reserved. C1 [Summerer, L.] European Space Agcy, Adv Concepts Team, NL-2201 AZ Noordwijk, Netherlands. [Wilcox, R. E.] CALTECH, Jet Prop Lab, Project Support Off, Pasadena, CA 91109 USA. [Bechtel, R.] US DOE, Off Space & Def Power Syst, Washington, DC 20585 USA. [Harbison, S.] COPUOS STSC, NPS Working Grp, Vienna, Austria. RP Summerer, L (reprint author), European Space Agcy, Adv Concepts Team, Keplerlaan 1, NL-2201 AZ Noordwijk, Netherlands. EM leopold.summerer@esa.int; rwilcox@jpl.nasa.gov; ryan.bechtel@nuclear.energy.gov; SHarb67909@aol.com OI Summerer, Leopold/0000-0001-7742-5216 FU Jet Propulsion Laboratory, California Institute of Technology; National Aeronautics and Space Administration FX The paper has greatly benefited from information shared within the 2010-2015 work-plan of the Working Group on Space Nuclear Power Sources in Outer Space within the Scientific and Technical Subcommittee of the Committee on the Peaceful Uses of Outer Space. The views expressed in the paper are those of the authors and do not necessarily reflect the view of any entities with which the authors may be affiliated. Part of this work was supported by the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. NR 27 TC 1 Z9 1 U1 2 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0094-5765 EI 1879-2030 J9 ACTA ASTRONAUT JI Acta Astronaut. PD JUN-JUL PY 2015 VL 111 BP 89 EP 101 DI 10.1016/j.actaastro.2015.02.007 PG 13 WC Engineering, Aerospace SC Engineering GA CI2NY UT WOS:000354585500009 ER PT J AU Zhang, P Wu, WM Van Nostrand, JD Deng, Y He, ZL Gihring, T Zhang, GX Schadt, CW Watson, D Jardine, P Criddle, CS Brooks, S Marsh, TL Tiedje, JM Arkin, AP Zhou, JZ AF Zhang, Ping Wu, Wei-Min Van Nostrand, Joy D. Deng, Ye He, Zhili Gihring, Thomas Zhang, Gengxin Schadt, Chris W. Watson, David Jardine, Phil Criddle, Craig S. Brooks, Scott Marsh, Terence L. Tiedje, James M. Arkin, Adam P. Zhou, Jizhong TI Dynamic Succession of Groundwater Functional Microbial Communities in Response to Emulsified Vegetable Oil Amendment during Sustained In Situ U(VI) Reduction SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SULFATE-REDUCING BACTERIA; URANIUM-CONTAMINATED AQUIFER; ELECTRON-DONOR; DESULFOVIBRIO-DESULFURICANS; SUBMICROMOLAR LEVELS; BIOREMEDIATION; SUBSURFACE; DIVERSITY; BIOREDUCTION; NITRATE AB A pilot-scale field experiment demonstrated that a one-time amendment of emulsified vegetable oil (EVO) reduced groundwater U(VI) concentrations for 1 year in a fast-flowing aquifer. However, little is known about how EVO amendment stimulates the functional gene composition, structure, and dynamics of groundwater microbial communities toward prolonged U(VI) reduction. In this study, we hypothesized that EVO amendment would shift the functional gene composition and structure of groundwater microbial communities and stimulate key functional genes/groups involved in EVO biodegradation and reduction of electron acceptors in the aquifer. To test these hypotheses, groundwater microbial communities after EVO amendment were analyzed using a comprehensive functional gene microarray. Our results showed that EVO amendment stimulated sequential shifts in the functional composition and structure of groundwater microbial communities. Particularly, the relative abundance of key functional genes/groups involved in EVO biodegradation and the reduction of NO3-, Mn(IV), Fe(III), U(VI), and SO42- significantly increased, especially during the active U(VI) reduction period. The relative abundance for some of these key functional genes/groups remained elevated over 9 months. Montel tests suggested that the dynamics in the abundance, composition, and structure of these key functional genes/groups were significantly correlated with groundwater concentrations of acetate, NO3-, Mn(II), Fe(II), U(VI), and SO42-. Our results suggest that EVO amendment stimulated dynamic succession of key functional microbial communities. This study improves our understanding of the composition, structure, and function changes needed for groundwater microbial communities to sustain a long-term U(VI) reduction. C1 [Zhang, Ping; Van Nostrand, Joy D.; Deng, Ye; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Zhang, Ping; Van Nostrand, Joy D.; Deng, Ye; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Wu, Wei-Min; Criddle, Craig S.] Stanford Univ, Dept Civil & Environm Engn, Stanford, CA 94305 USA. [Gihring, Thomas; Zhang, Gengxin; Schadt, Chris W.; Watson, David; Jardine, Phil; Brooks, Scott] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Marsh, Terence L.; Tiedje, James M.] Michigan State Univ, Ctr Microbial Ecol, E Lansing, MI 48824 USA. [Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 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. RP Zhou, JZ (reprint author), Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. EM jzhou@ou.edu RI Watson, David/C-3256-2016; Van Nostrand, Joy/F-1740-2016; Arkin, Adam/A-6751-2008; Schadt, Christopher/B-7143-2008; OI Watson, David/0000-0002-4972-4136; Van Nostrand, Joy/0000-0001-9548-6450; Arkin, Adam/0000-0002-4999-2931; Schadt, Christopher/0000-0001-8759-2448; ?, ?/0000-0002-7584-0632 FU Subsurface Biogeochemical Research Program [DE-FG02-07ER64398]; ENIGMA-Ecosystems and Networks Integrated with Genes and Molecular Assemblies through Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The field sampling was supported by the Subsurface Biogeochemical Research Program under contract no. DE-FG02-07ER64398, and the microbial community analysis was supported by ENIGMA-Ecosystems and Networks Integrated with Genes and Molecular Assemblies under contract no. DE-AC02-05CH11231 through the Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy. NR 50 TC 3 Z9 3 U1 2 U2 29 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 2015 VL 81 IS 12 BP 4164 EP 4172 DI 10.1128/AEM.00043-15 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA CI6JC UT WOS:000354864000026 PM 25862231 ER PT J AU Tadic, JM Ilic, V Biraud, S AF Tadic, Jovan M. Ilic, Velibor Biraud, Sebastien TI Examination of geostatistical and machine-learning techniques as interpolators in anisotropic atmospheric environments SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Universal kriging; Neural networks; Urban outflow; Airborne measurements; Ensemble ID ARTIFICIAL NEURAL NETWORKS; SPATIAL INTERPOLATION; AIRBORNE; PERFORMANCE; WIND AB Selecting which interpolation method to use significantly affects the results of atmospheric studies. The goal of this study is to examine the performance of several interpolation techniques under typical atmospheric conditions. Several types of kriging and artificial neural networks used as spatial interpolators are here compared and evaluated against ordinary kriging, using real airborne CO2 mixing-ratio data and synthetic data. The real data were measured (on December 26, 2012) between Billings and Lamont, near Oklahoma City, Oklahoma, within and above the planetary boundary layer (PBL). Predictions were made all along the flight trajectory within a total volume of 5000 km(3) of atmospheric air (27 x 33 x 5.6 km). We evaluated (a) universal kriging, (b) ensemble neural networks, (c) universal kriging with ensemble neural network outputs used as covariates, and (d) ensemble neural networks with ordinary kriging of the residuals as interpolation tools. We found that in certain cases, when the weaknesses of ordinary kriging interpolation schemes (based on an omnidirectional isotropic variogram presumption) became apparent, more sophisticated interpolation methods were in order. In this study, preservation of the potentially nonlinear relationship between the trend and coordinates (by using neural kriging output as a covariate in a universal kriging scheme) was attempted, with varying degrees of success (it was best performer in 4 out of 8 cases). The study confirmed the necessity of selecting an interpolation approach that includes a combination of expert understanding and appropriate interpolation tools. The error analysis showed that uncertainty representations generated by the kriging methods are superior to neural networks, but that the actual error varies from case to case. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Tadic, Jovan M.] Carnegie Inst Sci, Dept Global Ecol, Stanford, CA 94305 USA. [Ilic, Velibor] RT RK Inst Comp Based Syst, Novi Sad 21000, Serbia. [Biraud, Sebastien] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Tadic, JM (reprint author), Carnegie Inst Sci, Dept Global Ecol, Stanford, CA 94305 USA. EM jtadic@stanford.edu; ilicv@EUnet.rs; SCBiraud@lbl.gov RI Biraud, Sebastien/M-5267-2013; Tadic, Jovan/P-3677-2016; OI Biraud, Sebastien/0000-0001-7697-933X; Ilic, Velibor/0000-0001-5010-1377; Tadic, Jovan/0000-0003-4655-5063 FU National Aeronautics and Space Administration (NASA) [NNX08AJ92G]; National Science Foundation (NSF) [1342076]; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Atmospheric System Research Program [DE-AC02-05CH11231] FX This work was supported by the National Aeronautics and Space Administration (NASA) through grant no. NNX08AJ92G, and the National Science Foundation (NSF) through grant no. 1342076. The experimental data were based upon work supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Atmospheric System Research Program, under Award Number DE-AC02-05CH11231. We thank Anna M. Michalak for input on the study design. The authors would also like to thank Max Loewenstein (NASA Ames Research Center) for the discussions and helpful suggestions. NR 36 TC 1 Z9 1 U1 0 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 EI 1873-2844 J9 ATMOS ENVIRON JI Atmos. Environ. PD JUN PY 2015 VL 111 BP 28 EP 38 DI 10.1016/j.atmosenv.2015.03.063 PG 11 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CI8MJ UT WOS:000355026100004 ER PT J AU Lorenz, S Deng, P Hantschel, O Superti-Furga, G Kuriyan, J AF Lorenz, Sonja Deng, Patricia Hantschel, Oliver Superti-Furga, Giulio Kuriyan, John TI Crystal structure of an SH2-kinase construct of c-Abl and effect of the SH2 domain on kinase activity SO BIOCHEMICAL JOURNAL LA English DT Article DE Abl; imatinib; chronic myeloid leukaemia (CML); dasatinib; SH2 domain; tyrosine kinase ID PROTEIN-TYROSINE KINASES; BCR-ABL; SRC; PHOSPHORYLATION; BINDING; OLIGOMERIZATION; CONFORMATION; SPECIFICITY; ACTIVATION; IMATINIB AB Constitutive activation of the non-receptor tyrosine kinase c-Abl (cellular Abelson tyrosine protein kinase 1, Abl1) in the Bcr (breakpoint cluster region)-Abl1 fusion oncoprotein is the molecular cause of chronic myeloid leukaemia (CML). Recent studies have indicated that an interaction between the SH2 (Srchomology 2) domain and the N-lobe (N-terminal lobe) of the c-Abl kinase domain (KD) has a critical role in leukaemogenesis [Grebien et al. (2011) Cell 147, 306-319; Sherbenou et al. (2010) Blood 116, 3278-3285]. To dissect the structural basis of this phenomenon, we studied c-Abl constructs comprising the SH2 and KDs in vitro. We present a crystal structure of an SH2-KD construct bound to dasatinib, which contains the relevant interface between the SH2 domain and the N-lobe of the KD. We show that the presence of the SH2 domain enhances kinase activity moderately and that this effect depends on contacts in the SH2/N-lobe interface and is abrogated by specific mutations. Consistently, formation of the interface decreases slightly the association rate of imatinib with the KD. That the effects are small compared with the dramatic in vivo consequences suggests an important function of the SH2-N-lobe interaction might be to help disassemble the auto-inhibited conformation of c-Abl and promote processive phosphorylation, rather than substantially stimulate kinase activity. C1 [Lorenz, Sonja; Kuriyan, John] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA. [Lorenz, Sonja; Deng, Patricia; Kuriyan, John] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Hantschel, Oliver; Superti-Furga, Giulio] Austrian Acad Sci, CeMM Res Ctr Mol Med, A-1090 Vienna, Austria. [Kuriyan, John] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Kuriyan, John] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Kuriyan, John] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Kuriyan, J (reprint author), Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA. EM kuriyan@berkeley.edu RI Hantschel, Oliver/H-4705-2013; OI Hantschel, Oliver/0000-0001-8569-8169; Lorenz, Sonja/0000-0002-9639-2381 FU Leukemia and Lymphoma Society [LLS 7393-06, LLS 5509-11]; Swiss Institute for Experimental Cancer Research (ISREC) Foundation FX This work was supported in part by the Leukemia and Lymphoma Society [grant number LLS 7393-06 (to J.K. and P.D.) and grant number LLS 5509-11 (to S.L.)]; and the Swiss Institute for Experimental Cancer Research (ISREC) Foundation (to O.H.). NR 40 TC 5 Z9 5 U1 2 U2 17 PU PORTLAND PRESS LTD PI LONDON PA CHARLES DARWIN HOUSE, 12 ROGER STREET, LONDON WC1N 2JU, ENGLAND SN 0264-6021 EI 1470-8728 J9 BIOCHEM J JI Biochem. J. PD JUN 1 PY 2015 VL 468 BP 283 EP 291 DI 10.1042/BJ20141492 PN 2 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CI7KS UT WOS:000354942800008 PM 25779001 ER PT J AU Yazdanpanah, F Sokhansanj, S Lim, CJ Lau, A Bi, XT AF Yazdanpanah, Fahimeh Sokhansanj, Shahab Lim, Choon Jim Lau, Anthony Bi, Xiaotao TI Effectiveness of purging on preventing gas emission buildup in wood pellet storage SO CANADIAN JOURNAL OF CHEMICAL ENGINEERING LA English DT Article DE wood pellet; storage; off-gassing; residence time distribution; purging efficiency ID PACKED-BEDS; DISPERSION AB Storage of wood pellets has resulted in deadly accidents in connection with off-gassing and self-heating. A forced ventilation system should be in place to sweep the off-gases and control the thermal conditions. In this study, multiple purging tests were conducted in a pilot scale silo to evaluate the effectiveness of a purging system and quantify the time and volume of the gas needed to sweep the off-gases. To identify the degree of mixing, residence time distribution of the tracer gas was also studied experimentally. Large deviations from plug flow suggested strong gas mixing for all superficial velocities. As the velocity increased, the system dispersion number became smaller, which indicated less degree of mixing with increased volume of the purging gas. One-dimensional modelling and numerical simulation of the off-gas concentration profile gave the best agreement with the measured gas concentration at the bottom and middle of the silo. C1 [Yazdanpanah, Fahimeh; Sokhansanj, Shahab; Lim, Choon Jim; Lau, Anthony; Bi, Xiaotao] Univ British Columbia, Chem & Biol Engn Dept, Vancouver, BC V6T 1Z3, Canada. [Sokhansanj, Shahab] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Yazdanpanah, F (reprint author), Univ British Columbia, Chem & Biol Engn Dept, Vancouver, BC V6T 1Z3, Canada. EM fyazdanpanah@chbe.ubc.ca RI Lau, Anthony/J-8519-2015 NR 20 TC 3 Z9 3 U1 4 U2 13 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0008-4034 EI 1939-019X J9 CAN J CHEM ENG JI Can. J. Chem. Eng. PD JUN PY 2015 VL 93 IS 6 BP 1024 EP 1032 DI 10.1002/cjce.22199 PG 9 WC Engineering, Chemical SC Engineering GA CI1YU UT WOS:000354542000006 ER PT J AU Stowers, KJ Madix, RJ Biener, MM Biener, J Friend, CM AF Stowers, Kara J. Madix, Robert J. Biener, Monika M. Biener, Juergen Friend, Cynthia M. TI Facile Ester Synthesis on Ag-Modified Nanoporous Au: Oxidative Coupling of Ethanol and 1-Butanol Under UHV Conditions SO CATALYSIS LETTERS LA English DT Article DE Nanoporous gold; Selective oxidation; Ethanol; 1-Butanol; Ester formation; Aerobic oxidation; Catalysis ID GOLD CATALYSTS; SELECTIVE OXIDATION; OXYGEN; ADSORPTION; SURFACE; AG(110); NANOPARTICLES; DESORPTION; ALCOHOLS; METHANOL AB A dilute Ag alloy of nanoporous Au (npAu) has been shown to self-couple methanol with 100 % selectivity and high conversion under catalytic flow conditions. However, because prior studies in flow reactors showed difficulty in self-coupling ethanol and 1-butanol over npAu in flow reactors, the inherent capability on npAu for self-coupling of ethanol and 1-butanol was examined under ultrahigh vacuum conditions on identical npAu catalysts. This study shows that the oxygen-covered Ag-modified npAu does efficiently effect the self-coupling of ethanol and 1-butanol under UHV conditions. The coupling is initiated by adsorbed atomic oxygen formed from O-2 dissociation via a chemisorbed molecular state. The amount of ester formed increases with the degree of oxygen precoverage at the expense of aldehyde production. Repeated annealing of the catalyst above 550 K for temperature programmed reaction changes the ligament and pore sizes, affecting the product distribution, but high reactivity is sustained over many heating cycles. [GRAPHICS] . C1 [Stowers, Kara J.] Brigham Young Univ, Chem & Biochem, Provo, UT 84602 USA. [Madix, Robert J.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Biener, Monika M.; Biener, Juergen] Lawrence Livermore Natl Lab, Livermore, CA USA. [Friend, Cynthia M.] Harvard Univ, Cambridge, MA 02138 USA. RP Friend, CM (reprint author), Harvard Univ, Cambridge, MA 02138 USA. EM friend@fas.harvard.edu OI Stowers, Kara/0000-0003-1119-5264 FU U.S. Department of Energy, Basic Energy Sciences, Catalysis Science Program [DE-FG-02-84ER13289]; U.S. Department of Energy by LLNL [DE-AC52-07NA27344] FX We gratefully acknowledge the support of this work by the U.S. Department of Energy, Basic Energy Sciences, Catalysis Science Program (DE-FG-02-84ER13289). Work at LLNL was performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344. Correspondence and requests for materials should be addressed to C.M.F. NR 34 TC 7 Z9 7 U1 3 U2 60 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X EI 1572-879X J9 CATAL LETT JI Catal. Lett. PD JUN PY 2015 VL 145 IS 6 BP 1217 EP 1223 DI 10.1007/s10562-015-1525-4 PG 7 WC Chemistry, Physical SC Chemistry GA CI4GC UT WOS:000354705100001 ER PT J AU Neumann, B Elkins, TW Gash, AE Hagelin-Weaver, H Baumer, M AF Neumann, Bjoern Elkins, Trenton W. Gash, Alexander E. Hagelin-Weaver, Helena Baeumer, Marcus TI Sol-Gel Preparation of Samaria Catalysts for the Oxidative Coupling of Methane SO CATALYSIS LETTERS LA English DT Article DE Oxidative methane coupling; Sol-gel chemistry; Rare earth oxide catalyst ID SURFACE-PROPERTIES; OXIDE; ETHYLENE; ALUMINA; MGO; SELECTIVITY; ETHANE; ACTIVITY/SELECTIVITY; MONOLITHS; CHEMISTRY AB A new sol-gel synthesis route for alumina-samaria mixed aero- and xerogel catalysts based on the so-called epoxide addition method and the use of these systems as catalysts for the oxidative coupling of methane (OCM) is reported. As precursors simple chloride or nitrate salts can be used. The mesoporous materials are X-ray amorphous even after calcination to 800 A degrees C and show an intimate mixing of Al and Sm on the nanoscale. In the case of the xerogels derived from chlorides, C-2 yields comparable to pure samaria can be achieved under OCM reaction conditions with 100 % O-2 conversion. Even at lower O-2 conversions the activity of the xerogel is competitive with a pure samaria reference catalyst taking the lower samaria content of 20 % into account. Accordingly, the approach is suitable to reduce the costs associated with the rare earth oxide. In addition to the preparation of aerogel and xerogel particles, the presented synthesis also allows the fabrication of xerogel films which can be coated on a suitable (monolithic) support. First results of such films are presented. [GRAPHICS] . C1 [Neumann, Bjoern; Baeumer, Marcus] Univ Bremen, Inst Appl & Phys Chem, D-28359 Bremen, Germany. [Neumann, Bjoern; Baeumer, Marcus] Univ Bremen, Ctr Environm Res & Sustainable Technol, D-28359 Bremen, Germany. [Elkins, Trenton W.; Hagelin-Weaver, Helena] Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA. [Gash, Alexander E.] Lawrence Livermore Natl Lab, Chem & Chem Engn Div, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Hagelin-Weaver, H (reprint author), Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA. EM hweaver@che.ufl.edu; mbaeumer@uni-bremen.de RI Baumer, Marcus/S-5441-2016 OI Baumer, Marcus/0000-0002-8620-1764 FU Deutsche Forschungsgemeinschaft (DFG) [BA1710/19-1]; National Science Foundation, Division of Chemistry [1026712]; Deutsche Telekom Stiftung; University of Florida FX We thank Prof. Th. Gesing and Dr. J. Birkenstock (University Bremen) for assistance with the XRD experiments and Dr. Karsten Thiel (Fraunhofer Institute IFAM, Bremen) and Dr. Volkmar Zielasek (University Bremen) for TEM measurements. We also gratefully acknowledge financial support for this work provided by the Deutsche Forschungsgemeinschaft (DFG) through Grant number BA1710/19-1 and the National Science Foundation, Division of Chemistry, through Grant number 1026712. BN is grateful for a stipend of the Deutsche Telekom Stiftung. TE is grateful for a graduate student fellowship from the University of Florida. NR 40 TC 4 Z9 4 U1 5 U2 76 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X EI 1572-879X J9 CATAL LETT JI Catal. Lett. PD JUN PY 2015 VL 145 IS 6 BP 1251 EP 1261 DI 10.1007/s10562-015-1522-7 PG 11 WC Chemistry, Physical SC Chemistry GA CI4GC UT WOS:000354705100005 ER PT J AU Zhang, LB Lu, Z Velarde, L Fu, L Pu, YQ Ding, SY Ragauskas, AJ Wang, HF Yang, B AF Zhang, Libing Lu, Zhou Velarde, Luis Fu, Li Pu, Yunqiao Ding, Shi-You Ragauskas, Arthur J. Wang, Hong-Fei Yang, Bin TI Vibrational spectral signatures of crystalline cellulose using high resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS) SO CELLULOSE LA English DT Article DE Cellulose I alpha; Cellulose I beta; Avicel; High resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS) ID PLANT-CELL WALLS; NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; SYNCHROTRON X-RAY; MATRIX POLYSACCHARIDES; CIRCULAR-DICHROISM; INFRARED SPECTRA; I-ALPHA; SURFACE; MICROFIBRILS AB Both the C-H and O-H region spectra of crystalline cellulose were studied using the sub-wavenumber high-resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS) for the first time. The resolution of HR-BB-SFG-VS is about 10-times better than conventional scanning SFG-VS and has the capability of measuring the intrinsic spectral lineshape and revealing many more spectral details. With HR-BB-SFG-VS, we found that in cellulose samples from different sources, including Avicel and cellulose crystals isolated from algae Valonia (I alpha) and tunicates (I beta), the spectral signatures in the O-H region were unique for the two allomorphs, i.e. I alpha and I beta, while the spectral signatures in the C-H regions varied in all samples examined. Even though the origin of the different spectral signatures of the crystalline cellulose in the O-H and C-H vibrational frequency regions are yet to be correlated to the structure of cellulose, these results lead to new spectroscopic methods and opportunities to classify and to understand the basic crystalline structures, as well as variations in polymorphism of the crystalline cellulose. C1 [Zhang, Libing; Yang, Bin] Washington State Univ, Dept Biol Syst Engn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA. [Lu, Zhou; Velarde, Luis; Fu, Li; Wang, Hong-Fei] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99354 USA. [Pu, Yunqiao; Ragauskas, Arthur J.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Ding, Shi-You] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. RP Yang, B (reprint author), Washington State Univ, Dept Biol Syst Engn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA. EM hongfei.wang@pnnl.gov; binyang@tricity.wsu.edu RI Wang, Hongfei/B-1263-2010; Lu, Zhou/D-3994-2012; Velarde, Luis/D-4929-2011; OI Wang, Hongfei/0000-0001-8238-1641; Lu, Zhou/0000-0001-8527-0381; Velarde, Luis/0000-0001-6329-3486; Ragauskas, Arthur/0000-0002-3536-554X; yang, bin/0000-0003-1686-8800 FU DARPA Young Faculty Award [N66001-11-1-414]; Bioproducts, Sciences and Engineering Laboratory, Department of Biosystems Engineering at Washington State University; Chinese Scholarship Council (CSC); BioEnergy Science Center, a DOE Bioenergy Research Center,; Genomic Science Program [ER65258]; Office of Biological and Environmental Research in the DOE Office of Science; Department of Energy's Office of Biological and Environmental Research (BER) FX This work was made possible through the support of the DARPA Young Faculty Award Contract # N66001-11-1-414. Authors also acknowledge the support of Bioproducts, Sciences and Engineering Laboratory, Department of Biosystems Engineering at Washington State University. L. Zhang was partially supported by the grant from the Chinese Scholarship Council (CSC). S.Y. Ding was supported by the BioEnergy Science Center, a DOE Bioenergy Research Center, and the Genomic Science Program (ER65258), both supported by the Office of Biological and Environmental Research in the DOE Office of Science. Part of this work was conducted at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility located at the Pacific Northwest National Laboratory (PNNL) and sponsored by the Department of Energy's Office of Biological and Environmental Research (BER). We also thank Dr. Seong Kim (Penn State University) for insightful discussions. NR 63 TC 3 Z9 4 U1 5 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 2015 VL 22 IS 3 BP 1469 EP 1484 DI 10.1007/s10570-015-0588-0 PG 16 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA CH7CK UT WOS:000354193000003 ER PT J AU Zhang, Y Inouye, H Yang, L Himmel, ME Tucker, M Makowski, L AF Zhang, Yan Inouye, Hideyo Yang, Lin Himmel, Michael E. Tucker, Melvin Makowski, Lee TI Breakdown of hierarchical architecture in cellulose during dilute acid pretreatments SO CELLULOSE LA English DT Article DE Cellulose; Hierarchical architecture; Guinier analysis; Multi-Angle X-ray scattering ID NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; SYNCHROTRON X-RAY; CRYSTAL-STRUCTURE; ANGLE SCATTERING; CELL-WALLS; MICROFIBRILS; BIOMASS; WOOD; NANOSTRUCTURE AB Cellulose is an attractive candidate as a feedstock for sustainable bioenergy because of its global abundance. Pretreatment of biomass has significant influence on the chemical availability of cellulose locked in recalcitrant microfibrils. Optimizing pretreatment depends on an understanding of its impact on the microscale and nanoscale molecular architecture. X-ray scattering experiments have been performed on native and pre-treated maize stover and models of cellulose architecture have been derived from these data. Ultra small-angle, very small-angle and small-angle X-ray scattering (USAXS, VSAXS and SAXS) probe three different levels of architectural scale. USAXS and SAXS have been used to study cellulose at two distinct length scales, modeling the fibrils as similar to 30 angstrom diameter rods packed into similar to 0.14 mu m diameter bundles. VSAXS is sensitive to structural features at length scales between these two extremes. Detailed analysis of diffraction patterns from untreated and pretreated maize using cylindrical Guinier plots and the derivatives of these plots reveals the presence of substructures within the similar to 0.14 mu m diameter bundles that correspond to grouping of cellulose approximately 30 nm in diameter. These sub-structures are resilient to dilute acid pretreatments but are sensitive to pretreatment when iron sulfate is added. These results provide evidence of the hierarchical arrangement of cellulose at three length scales and the evolution of these arrangements during pretreatments. C1 [Zhang, Yan; Inouye, Hideyo] Northeastern Univ, Dept Elect & Comp Engn, Boston, MA 02115 USA. [Yang, Lin] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Himmel, Michael E.; Tucker, Melvin] Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO 80401 USA. [Makowski, Lee] Northeastern Univ, Dept Chem & Chem Biol, Boston, MA 02115 USA. [Makowski, Lee] Northeastern Univ, Dept Bioengn, Boston, MA 02115 USA. RP Makowski, L (reprint author), Northeastern Univ, Dept Bioengn, Boston, MA 02115 USA. EM l.makowski@neu.edu FU Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0000997]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; U.S. Department of Energy, Office of Science [DE-AC02-06CH11375]; National Cancer Institute [Y1-CO_1020]; National Institute of General Medical Science [Y1-GM-1104] FX This work was supported as part of the Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under award No. DE-SC0000997. 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. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy, Office of Science by Argonne National Laboratory, under contract No. DE-AC02-06CH11375. GM/CA CAT has been funded in whole or in part with Federal funds from National Cancer Institute (Y1-CO_1020) and the National Institute of General Medical Science (Y1-GM-1104). NR 31 TC 2 Z9 2 U1 4 U2 29 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 2015 VL 22 IS 3 BP 1495 EP 1504 DI 10.1007/s10570-015-0592-4 PG 10 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA CH7CK UT WOS:000354193000005 ER PT J AU Cheng, LY Phillips, TJ AghaKouchak, A AF Cheng, Linyin Phillips, Thomas J. AghaKouchak, Amir TI Non-stationary return levels of CMIP5 multi-model temperature extremes SO CLIMATE DYNAMICS LA English DT Article DE Temperature; Climate; CMIP5; Extremes; Return level; Non-stationary ID TRANSIENT CLIMATE-CHANGE; WATER-ELECTRICITY NEXUS; GREENLAND ICE-SHEET; PRECIPITATION SIMULATIONS; DIFFERENTIAL EVOLUTION; EVALUATING OPTIONS; MODEL SIMULATIONS; CHANGING CLIMATE; TRENDS; FREQUENCY AB The objective of this study is to evaluate to what extent the CMIP5 climate model simulations of the climate of the twentieth century can represent observed warm monthly temperature extremes under a changing environment. The biases and spatial patterns of 2-, 10-, 25-, 50- and 100-year return levels of the annual maxima of monthly mean temperature (hereafter, annual temperature maxima) from CMIP5 simulations are compared with those of Climatic Research Unit (CRU) observational data considered under a non-stationary assumption. The results show that CMIP5 climate models collectively underestimate the mean annual maxima over arid and semi-arid regions that are most subject to severe heat waves and droughts. Furthermore, the results indicate that most climate models tend to underestimate the historical annual temperature maxima over the United States and Greenland, while generally disagreeing in their simulations over cold regions. Return level analysis shows that with respect to the spatial patterns of the annual temperature maxima, there are good agreements between the CRU observations and most CMIP5 simulations. However, the magnitudes of the simulated annual temperature maxima differ substantially across individual models. Discrepancies are generally larger over higher latitudes and cold regions. C1 [Cheng, Linyin; AghaKouchak, Amir] Univ Calif Irvine, Irvine, CA 92697 USA. [Phillips, Thomas J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP AghaKouchak, A (reprint author), Univ Calif Irvine, E4130 Engn Gateway, Irvine, CA 92697 USA. EM linyinc@uci.edu; amir.a@uci.edu FU Environmental Sciences Division of the Army Research Office [W911NF-14-1-0684]; Lawrence Livermore National Laboratory [DE-AC52-O7NA27344] FX The authors thank the three anonymous reviewers for their constructive suggestions which significantly improved the paper. The financial support for authors LC and AA was made available by the Environmental Sciences Division of the Army Research Office Award No. W911NF-14-1-0684. The contributions of author TJP were performed under the auspices of the Lawrence Livermore National Laboratory under Contract DE-AC52-O7NA27344. We acknowledge the World Climate Research Programme's Working Group on Coupled Modelling, which is responsible for CMIP, and we thank the climate-modeling groups for producing and making available their model output. For CMIP, the U.S. Department of Energy's Program for Climate Model Diagnosis and Intercomparison provides coordinating support and leads the development of software infrastructure in partnership with the Global Organization for Earth System Science Portals. NR 88 TC 1 Z9 1 U1 4 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 EI 1432-0894 J9 CLIM DYNAM JI Clim. Dyn. PD JUN PY 2015 VL 44 IS 11-12 BP 2947 EP 2963 DI 10.1007/s00382-015-2625-y PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CI4GH UT WOS:000354705700002 ER PT J AU Balaprakash, P Birattari, M Stutzle, T Dorigo, M AF Balaprakash, Prasanna Birattari, Mauro Stutzle, Thomas Dorigo, Marco TI Estimation-based metaheuristics for the single vehicle routing problem with stochastic demands and customers SO COMPUTATIONAL OPTIMIZATION AND APPLICATIONS LA English DT Article DE Metaheuristics; Empirical estimation; Vehicle routing with stochastic demands and customers ID TRAVELING SALESMAN PROBLEM; COMBINATORIAL OPTIMIZATION; 1-SHIFT ALGORITHMS; LOCAL SEARCH; 2-P-OPT; ACO AB The vehicle routing problem with stochastic demands and customers (VRPSDC) requires finding the optimal route for a capacitated vehicle that delivers goods to a set of customers, where each customer has a fixed probability of requiring being visited and a stochastic demand. For large instances, the evaluation of the cost function is a primary bottleneck when searching for high quality solutions within a limited computation time. We tackle this issue by using an empirical estimation approach. Moreover, we adopt a recently developed state-of-the-art iterative improvement algorithm for the closely related probabilistic traveling salesman problem. We integrate these two components into several metaheuristics and we show that they outperform substantially the current best algorithm for this problem. C1 [Balaprakash, Prasanna] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Birattari, Mauro; Stutzle, Thomas; Dorigo, Marco] Univ Libre Bruxelles, CoDE, IRIDIA, Brussels, Belgium. RP Balaprakash, P (reprint author), Argonne Natl Lab, Math & Comp Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM pbalapra@mcs.anl.gov; mbiro@ulb.ac.be; stuetzle@ulb.ac.be; mdorigo@ulb.ac.be RI Birattari, Mauro/D-2597-2009; Stutzle, Thomas /H-5366-2011 OI Birattari, Mauro/0000-0003-3309-2194; Stutzle, Thomas /0000-0002-5820-0473 FU "E-SWARM - Engineering Swarm Intelligence Systems", an European Research Council Advanced Grant [246939]; Fonds de la Recherche Scientifique, F.R.S.-FNRS of the French Community of Belgium FX This research has been supported by "E-SWARM - Engineering Swarm Intelligence Systems", an European Research Council Advanced Grant awarded to Marco Dorigo (Grant Number 246939). The authors acknowledge support from the Fonds de la Recherche Scientifique, F.R.S.-FNRS of the French Community of Belgium. NR 56 TC 1 Z9 1 U1 4 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0926-6003 EI 1573-2894 J9 COMPUT OPTIM APPL JI Comput. Optim. Appl. PD JUN PY 2015 VL 61 IS 2 BP 463 EP 487 DI 10.1007/s10589-014-9719-z PG 25 WC Operations Research & Management Science; Mathematics, Applied SC Operations Research & Management Science; Mathematics GA CI6WM UT WOS:000354904500007 ER PT J AU Song, B Lu, WY AF Song, B. Lu, W-Y. TI An Improved Experimental Technique to Characterize Micro-Diameter Copper Wires in Torsion SO EXPERIMENTAL MECHANICS LA English DT Article DE Micro-diameter wire; Torsion; Torque measurement; Shear strain rate; Size effects ID PLASTICITY AB The experimental technique was improved with direct measurement of small torque and rotation angle to characterize micro-diameter copper wires in torsion. This method allows precise measurement of torque applied to micro-diameter wires as low as 10(-8) N center dot m with reasonably high resolution. The rotation angle is also able to be directly measured such that the shear strain rate on the wire surface can be easily controlled. This experimental design removes the misalignment issue that has affected previous efforts in micro-diameter wire torsion testing. Using this technique, the copper wires with four different diameters (12, 16, 20, and 30 mu m) were characterized in torsion. The normalized torque-rotation results showed insignificant size effects for the copper wires investigated in this study. C1 [Song, B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Lu, W-Y.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Song, B (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM bsong@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 9 TC 2 Z9 2 U1 1 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0014-4851 EI 1741-2765 J9 EXP MECH JI Exp. Mech. PD JUN PY 2015 VL 55 IS 5 BP 999 EP 1004 DI 10.1007/s11340-014-9978-8 PG 6 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing SC Materials Science; Mechanics GA CH7IA UT WOS:000354208000016 ER PT J AU Bilheux, HZ Cekanova, M Vass, AA Nichols, TL Bilheux, JC Donnell, RL Finochiarro, V AF Bilheux, Hassina Z. Cekanova, Maria Vass, Arpad A. Nichols, Trent L. Bilheux, Jean C. Donnell, Robert L. Finochiarro, Vincenzo TI A novel approach to determine post mortem interval using neutron radiography SO FORENSIC SCIENCE INTERNATIONAL LA English DT Article DE Post-mortem interval; Neutron radiography; Hydrogen content; Canine tissues ID HUMAN CADAVERS; ODOR ANALYSIS; HUMAN REMAINS AB One of the most difficult challenges in forensic research is to objectively determine the post-mortem interval (PMI). The accuracy of PMI is critical for determining the timeline of events surrounding a death. Most PMI techniques rely on gross morphological changes of cadavers that are highly sensitive to taphonomic factors. Recent studies have demonstrated that even exhumed individuals exposed to the same environmental conditions with similar PMIs can present different stages of decomposition. After death, tissue undergoes sequential changes consisting of organic and inorganic phase variations, as well as a gradual reduction of tissue water content. Hydrogen (H) is the primary contributor to neutron radiography (NR) contrast in biological specimens because (1) it is the most abundant element in biological tissues and (2) its nucleus scatters thermal and cold neutrons more strongly than any other atomic nucleus. These contrast differences can be advantageous in a forensic context to determine small changes in hydrogen concentrations. Neutron radiography of decaying canine tissues was performed to evaluate the PMI by measuring the changes in H content. In this study, dog cadavers were used as a model for human cadavers. Canine tissues and cadavers were exposed to controlled (laboratory settings, at the University of Tennessee, College of Veterinary Medicine) and uncontrolled (University of Tennessee Anthropology Research Facility) environmental conditions, respectively. Neutron radiographs were supplemented with photographs and histology data to assess the decompositional stages of cadavers. Results demonstrated that the increase in neutron transmission likely corresponded to a decrease in hydrogen content in the tissue, which was correlated with the decay time of the tissue. Tissues depleted in hydrogen were brighter in the neutron transmission radiographs of skeletal muscles, lung, and bone, under controlled conditions. Over a period of 10 days, changes in neutron transmission through lung and muscle were found to be higher than bone by 8.3%, 7.0%, and 2.0%, respectively. Results measured during uncontrolled conditions were more difficult to assess and further studies are necessary. In conclusion, neutron radiography may be used to detect changes in hydrogen abundance that can be correlated with the postmortem interval. (C) 2015 Elsevier Ireland Ltd. All rights reserved. C1 [Bilheux, Hassina Z.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Cekanova, Maria] Univ Tennessee, Coll Vet Med, Dept Small Anim Clin Sci, Knoxville, TN 37996 USA. [Vass, Arpad A.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Nichols, Trent L.] Oak Ridge Natl Lab, Measurement Sci & Syst Engn Div, Oak Ridge, TN 37831 USA. [Bilheux, Jean C.] Oak Ridge Natl Lab, Neutron Data Anal & Visualizat Div, Oak Ridge, TN 37831 USA. [Donnell, Robert L.] Univ Tennessee, Coll Vet Med, Dept Biomed & Diagnost Sci, Knoxville, TN 37996 USA. [Finochiarro, Vincenzo] Univ Messina, Dept Matter Phys & Elect Engn, Messina, Italy. RP Bilheux, HZ (reprint author), Oak Ridge Natl Lab, Spallat Neutron Source, Bldg 8600,Rm B-440,POB 2008,MS 6475, Oak Ridge, TN 37831 USA. EM bilheuxhn@ornl.gov RI Bilheux, Hassina/H-4289-2012; Bilheux, Jean/A-2823-2016; OI Bilheux, Hassina/0000-0001-8574-2449; Bilheux, Jean/0000-0003-2172-6487; Cekanova, Maria/0000-0002-9651-1619; Donnell, Robert L./0000-0002-6778-954X FU National Institute of Justice [2010-93071-TN-DNB]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; U.S. Department of Energy [DE-AC05 00OR22725] FX This research was supported by the National Institute of Justice (proposal #2010-93071-TN-DNB). The team would like to thank the director of the UTARF facility, Dr. Dawnie Steadman, and colleague Dr. Lee Jantz, for their guidance and availability in the use of the University of Tennessee Anthropology Research Facility (UTARF), and providing assistance in moving canine cadavers in and out of the facility with the help of Mr. David Mercer. The team would also like to thank Dr. April McMillan for contributing in discussions and experiment preparation. Part of the research conducted at ORNL's High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy.; This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05 00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 28 TC 2 Z9 2 U1 3 U2 14 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0379-0738 EI 1872-6283 J9 FORENSIC SCI INT JI Forensic Sci.Int. PD JUN PY 2015 VL 251 BP 11 EP 21 DI 10.1016/j.forsciint.2015.02.017 PG 11 WC Medicine, Legal SC Legal Medicine GA CH6DI UT WOS:000354125900007 PM 25839676 ER PT J AU Yu, XY Moore, JC Cui, XF Rinke, A Ji, DY Kravitz, B Yoon, JH AF Yu, Xiaoyong Moore, John C. Cui, Xuefeng Rinke, Annette Ji, Duoying Kravitz, Ben Yoon, Jin-Ho TI Impacts, effectiveness and regional inequalities of the GeoMIP G1 to G4 solar radiation management scenarios SO GLOBAL AND PLANETARY CHANGE LA English DT Article DE Solar radiation management; Regional inequality; Regional climate compensation effectiveness; GeoMIP ID CLIMATE-CHANGE; MODEL; REDUCTION; CMIP5; CYCLE AB We evaluate the effectiveness and the regional inequalities of solar radiation management (SRM) in compensating for simultaneous changes in temperature and precipitation caused by increased greenhouse gas concentrations. We analyze the results from Earth System Models under four Geoengineering Model Intercomparison Project (GeoMIP) experiments with a modified form of the Residual Climate Response approach. Each experiment produces 50 model yrs of simulations: 13 models completed experiment G1 (offsetting 4 x CO2 via solar reduction); 12 models completed experiment G2 (offsetting CO2 that increased by 1% per year); 3 models completed experiment G3 (offsetting increasing radiative forcing under RCP4.5 with increasing stratospheric aerosol); and 7 models completed experiment G4 (injection of 5 Tg SO2 a(-1) into the stratosphere). The regional inequalities in temperature and precipitation compensation for experiments G1, G3 and G4 are significantly different from their corresponding noise backgrounds for most models, but for G2 they are not significantly different from noise. Differences in the regional inequalities and the actual effectiveness among the four SRM scenarios are not significant for many models. However, in more than half of the models, the effectiveness for temperature in the solar dimming geoengineering scenarios (G1 and G2) is significantly higher than that in the SO2 geoengineering scenarios (G3 and G4). The effectiveness of the four SRM experiments in compensating for temperature change is considerably higher than for precipitation. The methodology used highlights that a large across-model variation in the treatment of key geoengineering processes (such as stratospheric aerosols) and the quantification of damage caused by climate change creates significant uncertainties in any strategies to achieve optimal compensation effectiveness across different regions. (C) 2015 Elsevier B.V. All rights reserved. C1 [Yu, Xiaoyong; Moore, John C.; Cui, Xuefeng; Ji, Duoying] Beijing Normal Univ, Coll Global Change & Earth Syst Sci, State Key Lab Earth Surface Proc & Resource Ecol, Beijing 100875, Peoples R China. [Yu, Xiaoyong] Univ Cambridge, Dept Geog, Cambridge CB2 3EN, England. [Rinke, Annette] Helmholtz Ctr Polar & Marine Res, Alfred Wegener Inst, D-14473 Potsdam, Germany. [Kravitz, Ben; Yoon, Jin-Ho] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99354 USA. RP Cui, XF (reprint author), Beijing Normal Univ, Coll Global Change & Earth Syst Sci, 19 Xinjiekou Wai St, Beijing 100875, Peoples R China. EM xuefeng.cui@bnu.edu.cn RI YOON, JIN-HO/A-1672-2009; Moore, John/B-2868-2013; Rinke, Annette/B-4922-2014 OI YOON, JIN-HO/0000-0002-4939-8078; Moore, John/0000-0001-8271-5787; Rinke, Annette/0000-0002-6685-9219 FU Joint Center for Global Change Studies (JCGCS); Fund for Innovative Climate and Energy Research (FICER); U.S. Department of Energy [DE-AC05-76RL01830]; NASA High-End Computing (HEC) Program through NASA Center for Climate Simulation (NCCS) at Goddard Space Flight Center FX We thank Juan Moreno-Cruz, Hans-F Graf, and an anonymous reviewer for their comments. We thank all participants of the Geoengineering Model Intercomparison Project and their model development teams, CLIVAR/WCRP Working Group on Coupled Modeling for endorsing GeoMIP, and the scientists managing the Earth System Grid data nodes who have assisted with making GeoMIP output available. We acknowledge the World Climate Research Programme's Working Group on Coupled Modelling, which is responsible for CMIP, and we thank the climate modeling groups for producing and making available their model output For CMIP the U.S. Department of Energy's Program for Climate Model Diagnosis and Intercomparison provides coordinating support and led the development of software infrastructure in partnership with the Global Organization for Earth System Science Portals. DJ, XY, XC and JCM thank all members of the BNU-ESM model group and support from the Joint Center for Global Change Studies (JCGCS), as well as the Center of Information and Network Technology at Beijing Normal University for assistance in publishing the GeoMIP dataset. Ben Kravitz is supported by the Fund for Innovative Climate and Energy Research (FICER). The Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by Battelle Memorial Institute under contract DE-AC05-76RL01830. Simulations performed by Ben Kravitz were supported by the NASA High-End Computing (HEC) Program through the NASA Center for Climate Simulation (NCCS) at Goddard Space Flight Center. NR 35 TC 10 Z9 10 U1 2 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-8181 EI 1872-6364 J9 GLOBAL PLANET CHANGE JI Glob. Planet. Change PD JUN PY 2015 VL 129 BP 10 EP 22 DI 10.1016/j.gloplacha.2015.02.010 PG 13 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA CI8SK UT WOS:000355041800002 ER PT J AU Guedj, J Canini, L Cotler, SJ Dahari, H AF Guedj, Jeremie Canini, Laetitia Cotler, Scott J. Dahari, Harel TI Effect of Interferon-Alpha Therapy on Hepatitis D Virus Reply SO HEPATOLOGY LA English DT Letter ID DELTA-VIRUS; ANTIVIRAL EFFICACY; HALF-LIFE C1 [Guedj, Jeremie] INSERM, UMR 1137, IAME, Paris, France. [Guedj, Jeremie] Univ Paris 07, UMR 1137, IAME, Sorbonne Paris Cite, Paris, France. [Canini, Laetitia; Cotler, Scott J.; Dahari, Harel] Loyola Univ, Med Ctr, Dept Med, Program Expt & Theoret Modeling,Div Hepatol, Maywood, IL 60153 USA. [Canini, Laetitia] Univ Edinburgh, Inst Evolutionary Biol, Edinburgh, Midlothian, Scotland. [Dahari, Harel] Los Alamos Natl Lab, Theoret Biol & Biophys, Los Alamos, NM USA. RP Guedj, J (reprint author), INSERM, UMR 1137, IAME, Paris, France. RI Guedj, Jeremie/A-6842-2017 OI Guedj, Jeremie/0000-0002-5534-5482 FU NIAID NIH HHS [R01 AI078881]; NIGMS NIH HHS [P20 GM103452, P20-GM103452] NR 7 TC 0 Z9 0 U1 0 U2 2 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 2015 VL 61 IS 6 BP 2118 EP 2119 DI 10.1002/hep.27594 PG 2 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA CI5UG UT WOS:000354824700047 PM 25363327 ER PT J AU Di, S Kondo, D Wang, CL AF Di, Sheng Kondo, Derrick Wang, Cho-Li TI Optimization of Composite Cloud Service Processing with Virtual Machines SO IEEE TRANSACTIONS ON COMPUTERS LA English DT Article DE Cloud resource allocation; task scheduling; resource allocation; virtual machine; minimization of overhead AB By leveraging virtual machine (VM) technology, we optimize cloud system performance based on refined resource allocation, in processing user requests with composite services. Our contribution is three-fold. (1) We devise a VM resource allocation scheme with a minimized processing overhead for task execution. (2) We comprehensively investigate the best-suited task scheduling policy with different design parameters. (3) We also explore the best-suited resource sharing scheme with adjusted divisible resource fractions on running tasks in terms of Proportional-share model (PSM), which can be split into absolute mode (called AAPSM) and relative mode (RAPSM). We implement a prototype system over a cluster environment deployed with 56 real VM instances, and summarized valuable experience from our evaluation. As the system runs in short supply, lightest workload first (LWF) is mostly recommended because it can minimize the overall response extension ratio (RER) for both sequential-mode tasks and parallel-mode tasks. In a competitive situation with over-commitment of resources, the best one is combining LWF with both AAPSM and RAPSM. It outperforms other solutions in the competitive situation, by 16 + % w.r.t. the worst-case response time and by 7.4 + % w.r.t. the fairness. C1 [Di, Sheng] Argonne Natl Lab, MCS Div, Argonne, IL 60439 USA. [Kondo, Derrick] INRIA, Grenoble, France. [Wang, Cho-Li] Univ Hong Kong, Dept Comp Sci, Hong Kong, Hong Kong, Peoples R China. RP Di, S (reprint author), Argonne Natl Lab, MCS Div, Argonne, IL 60439 USA. EM sheng.di@inria.fr; derrick.kondo@inria.fr; clwang@cs.hku.hk FU ANR project Clouds@home [ANR-09-JCJC-0056-01]; U.S. Department of Energy, Office of Science [DE-AC02-06CH11357]; HKU [716712E] FX This work was made by the ANR project Clouds@home (ANR-09-JCJC-0056-01), also supported by the U.S. Department of Energy, Office of Science, under Contract DE-AC02-06CH11357, and also in part by HKU 716712E. NR 35 TC 1 Z9 1 U1 0 U2 10 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 0018-9340 EI 1557-9956 J9 IEEE T COMPUT JI IEEE Trans. Comput. PD JUN PY 2015 VL 64 IS 6 BP 1755 EP 1768 DI 10.1109/TC.2014.2329685 PG 14 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic SC Computer Science; Engineering GA CI0GH UT WOS:000354414500020 ER PT J AU Hua, ZS Han, YJ Chen, LX Liu, J Hu, M Li, SJ Kuang, JL Chain, PSG Huang, LN Shu, WS AF Hua, Zheng-Shuang Han, Yu-Jiao Chen, Lin-Xing Liu, Jun Hu, Min Li, Sheng-Jin Kuang, Jia-Liang Chain, Patrick S. G. Huang, Li-Nan Shu, Wen-Sheng TI Ecological roles of dominant and rare prokaryotes in acid mine drainage revealed by metagenomics and metatranscriptomics SO ISME JOURNAL LA English DT Article ID ACIDOPHILE ACIDITHIOBACILLUS-FERRIVORANS; DE-BRUIJN GRAPHS; MICROBIAL DIVERSITY; SULFUR METABOLISM; GENOME SEQUENCE; SINGLE-CELL; GENE IDENTIFICATION; DRAFT GENOME; COMMUNITY; BACTERIA AB High-throughput sequencing is expanding our knowledge of microbial diversity in the environment. Still, understanding the metabolic potentials and ecological roles of rare and uncultured microbes in natural communities remains a major challenge. To this end, we applied a 'divide and conquer' strategy that partitioned a massive metagenomic data set (>100 Gbp) into subsets based on K-mer frequency in sequence assembly to a low-diversity acid mine drainage (AMD) microbial community and, by integrating with an additional metatranscriptomic assembly, successfully obtained 11 draft genomes most of which represent yet uncultured and/or rare taxa (relative abundance <1%). We report the first genome of a naturally occurring Ferrovum population (relative abundance >90%) and its metabolic potentials and gene expression profile, providing initial molecular insights into the ecological role of these lesser known, but potentially important, microorganisms in the AMD environment. Gene transcriptional analysis of the active taxa revealed major metabolic capabilities executed in situ, including carbon- and nitrogen-related metabolisms associated with syntrophic interactions, iron and sulfur oxidation, which are key in energy conservation and AMD generation, and the mechanisms of adaptation and response to the environmental stresses (heavy metals, low pH and oxidative stress). Remarkably, nitrogen fixation and sulfur oxidation were performed by the rare taxa, indicating their critical roles in the overall functioning and assembly of the AMD community. Our study demonstrates the potential of the 'divide and conquer' strategy in high-throughput sequencing data assembly for genome reconstruction and functional partitioning analysis of both dominant and rare species in natural microbial assemblages. C1 [Hua, Zheng-Shuang; Han, Yu-Jiao; Chen, Lin-Xing; Liu, Jun; Hu, Min; Li, Sheng-Jin; Kuang, Jia-Liang; Huang, Li-Nan; Shu, Wen-Sheng] Sun Yat Sen Univ, Coll Ecol & Evolut, Guangdong Higher Educ Inst, Key Lab Biodivers Dynam & Conservat,State Key Lab, Guangzhou 510275, Guangdong, Peoples R China. [Chain, Patrick S. G.] Los Alamos Natl Lab, Genome Sci Grp, Metagen Applicat Team, Los Alamos, NM USA. RP Huang, LN (reprint author), Sun Yat Sen Univ, Coll Ecol & Evolut, Guangzhou 510275, Guangdong, Peoples R China. EM eseshln@mail.sysu.edu.cn; shuws@mail.sysu.edu.cn OI Chain, Patrick/0000-0003-3949-3634 FU National Natural Science Foundation of China [4093212, U1201233, 31370154]; Guangdong Province Key Laboratory of Computational Science; Guangdong Province Computational Science Innovative Research Team FX We thank Chien-Chi Lo of Los Alamos National Laboratory for his help in the bioinformatics analyses. We also thank the three anonymous reviewers for providing thoughtful and constructive comments on the manuscript. This work was supported by the National Natural Science Foundation of China (4093212, U1201233 and 31370154), the Guangdong Province Key Laboratory of Computational Science and the Guangdong Province Computational Science Innovative Research Team. NR 78 TC 20 Z9 21 U1 19 U2 119 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD JUN PY 2015 VL 9 IS 6 BP 1280 EP 1294 DI 10.1038/ismej.2014.212 PG 15 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA CI5HR UT WOS:000354786700002 PM 25361395 ER PT J AU Carlson, HK Kuehl, JV Hazra, AB Justice, NB Stoeva, MK Sczesnak, A Mullan, MR Iavarone, AT Engelbrektson, A Price, MN Deutschbauer, AM Arkin, AP Coates, JD AF Carlson, Hans K. Kuehl, Jennifer V. Hazra, Amrita B. Justice, Nicholas B. Stoeva, Magdalena K. Sczesnak, Andrew Mullan, Mark R. Iavarone, Anthony T. Engelbrektson, Anna Price, Morgan N. Deutschbauer, Adam M. Arkin, Adam P. Coates, John D. TI Mechanisms of direct inhibition of the respiratory sulfate-reduction pathway by (per) chlorate and nitrate SO ISME JOURNAL LA English DT Article ID DESULFOVIBRIO-VULGARIS HILDENBOROUGH; SACCHAROMYCES-CEREVISIAE; REDUCING MICROORGANISMS; ATP SULFURYLASE; PERCHLORATE; METABOLISM; BACTERIA; SULFIDE; NITRITE; STRESS AB We investigated perchlorate (ClO4-) and chlorate (ClO3-) (collectively (per) chlorate) in comparison with nitrate as potential inhibitors of sulfide (H2S) production by mesophilic sulfate-reducing microorganisms (SRMs). We demonstrate the specificity and potency of (per) chlorate as direct SRM inhibitors in both pure cultures and undefined sulfidogenic communities. We demonstrate that (per) chlorate and nitrate are antagonistic inhibitors and resistance is cross-inducible implying that these compounds share at least one common mechanism of resistance. Using tagged-transposon pools we identified genes responsible for sensitivity and resistance in Desulfovibrio alaskensis G20. We found that mutants in Dde_2702 (Rex), a repressor of the central sulfate-reduction pathway were resistant to both (per) chlorate and nitrate. In general, Rex derepresses its regulon in response to increasing intracellular NADH: NAD_ratios. In cells in which respiratory sulfate reduction is inhibited, NADH: NAD_ratios should increase leading to derepression of the sulfate-reduction pathway. In support of this, in (per) chlorate or nitrate-stressed wild-type G20 we observed higher NADH: NAD_ratios, increased transcripts and increased peptide counts for genes in the core Rex regulon. We conclude that one mode of (per) chlorate and nitrate toxicity is as direct inhibitors of the central sulfate-reduction pathway. Our results demonstrate that (per) chlorate are more potent inhibitors than nitrate in both pure cultures and communities, implying that they represent an attractive alternative for controlling sulfidogenesis in industrial ecosystems. Of these, perchlorate offers better application logistics because of its inhibitory potency, solubility, relative chemical stability, low affinity for mineral cations and high mobility in environmental systems. C1 [Carlson, Hans K.; Mullan, Mark R.; Coates, John D.] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. [Kuehl, Jennifer V.; Justice, Nicholas B.; Price, Morgan N.; Deutschbauer, Adam M.; Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Iavarone, Anthony T.] Univ Calif Berkeley, Chem Mass Spectrometry Facil QB3, Berkeley, CA 94720 USA. [Stoeva, Magdalena K.; Engelbrektson, Anna; Coates, John D.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Sczesnak, Andrew; Arkin, Adam P.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Coates, JD (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. EM jdcoates@berkeley.edu RI Arkin, Adam/A-6751-2008; OI Arkin, Adam/0000-0002-4999-2931; Sczesnak, Andrew/0000-0002-0152-9745; Kuehl, Jennifer/0000-0003-2813-2518; Price, Morgan/0000-0002-4251-0362 FU Energy Biosciences Institute FX We thank members of the Coates and Arkin groups for critical comments on this manuscript and Michi Taga and Kris Niyogi for use of their HPLC columns and instruments. We thank Mike Nold (Waters) for advice and protocols for proteomics sample preparation. Work in the laboratory of JDC on biosouring is supported by the Energy Biosciences Institute. NR 47 TC 5 Z9 5 U1 3 U2 23 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD JUN PY 2015 VL 9 IS 6 BP 1295 EP 1305 DI 10.1038/ismej.2014.216 PG 11 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA CI5HR UT WOS:000354786700003 PM 25405978 ER PT J AU Wood, SA Bradford, MA Gilbert, JA McGuire, KL Palm, CA Tully, KL Zhou, JZ Naeem, S AF Wood, Stephen A. Bradford, Mark A. Gilbert, Jack A. McGuire, Krista L. Palm, Cheryl A. Tully, Katherine L. Zhou, Jizhong Naeem, Shahid TI Agricultural intensification and the functional capacity of soil microbes on smallholder African farms SO JOURNAL OF APPLIED ECOLOGY LA English DT Article DE African Green Revolution; agroforestry; fertilization; functional diversity; GeoChip; microbial diversity; smallholder agriculture ID ORGANIC-MATTER; NITROGEN; COMMUNITIES; DIVERSITY; MULTIFUNCTIONALITY; DECOMPOSITION; RESPONSES; SYSTEMS; MODELS; MAIZE AB Fertilization may impact ecosystem processes that sustain agriculture, such as nutrient cycling, by altering the composition of soil microbial communities that regulate such processes. These processes are crucial to low-input, smallholder tropical agriculture, which supports 900million of the world's poorest people. Yet little is known about how efforts to increase crop yield on such farms will affect the capacity of soil microbial communities to carry out ecosystem processes. We studied the diversity and functional capacity of microbial communities on smallholder farms in western Kenya. We measured functional capacity as the abundance of functional genes involved in several components of nutrient cycling as well as catabolism of multiple carbon substrates; taxonomic diversity was measured using metagenomic sequencing. Diversity and functional capacity were measured on short-term, experimental mineral fertilizer addition plots and on actively managed farms that have maintained for at least seven years a management strategy of low mineral fertilization, high mineral fertilization, or high fertilization combined with legume rotations. Soil bacterial diversity decreased with mineral fertilizer addition, with a community shift towards taxa that thrive in high-resource conditions. This taxonomic response did not correspond with decreased microbial functional capacity. Instead, functional capacity was increased, along with yields, when fertilizers were combined with legume rotations that add organic matter to soil.Policy implications. Mineral fertilizer use is associated with lower soil microbial diversity on smallholder farms, but not associated with changes in microbial functional capacity. Functional capacity is highest, along with yields, when mineral fertilizers are paired with legume rotations. Our findings suggest that this type of agroforestry can be an important strategy for maintaining the long-term functional capacity of soil microbes as well as increasing crop yields on smallholder farms. These observations support proposals to achieve long-term food production targets in sub-Saharan Africa by combining mineral fertilizers with organic inputs. Mineral fertilizer use is associated with lower soil microbial diversity on smallholder farms, but not associated with changes in microbial functional capacity. Functional capacity is highest, along with yields, when mineral fertilizers are paired with legume rotations. Our findings suggest that this type of agroforestry can be an important strategy for maintaining the long-term functional capacity of soil microbes as well as increasing crop yields on smallholder farms. These observations support proposals to achieve long-term food production targets in sub-Saharan Africa by combining mineral fertilizers with organic inputs. C1 [Wood, Stephen A.; McGuire, Krista L.; Naeem, Shahid] Columbia Univ, Dept Ecol Evolut & Environm Biol, New York, NY 10027 USA. [Wood, Stephen A.; Palm, Cheryl A.; Tully, Katherine L.] Columbia Univ, Earth Inst, Agr & Food Secur Ctr, Palisades, NY 10964 USA. [Bradford, Mark A.] Yale Univ, Sch Forestry & Environm Studies, New Haven, CT 06511 USA. [Gilbert, Jack A.] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [McGuire, Krista L.] Columbia Univ Barnard Coll, Dept Biol, New York, NY 10027 USA. [Zhou, Jizhong] 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. RP Wood, SA (reprint author), Columbia Univ, Dept Ecol Evolut & Environm Biol, New York, NY 10027 USA. EM saw2177@columbia.edu RI Bradford, Mark/G-3850-2012; Wood, Stephen/A-1928-2017; OI Bradford, Mark/0000-0002-2022-8331; Wood, Stephen/0000-0002-9551-8165; Tully, Katherine/0000-0002-6190-2679 FU NSF PIRE [OISE-0968211]; NSF MacroSystems Biology program [EF-1065844] FX We would like to thank Steve Ogendo, Wilson Ondiala and Anna Wade for help with laboratory and fieldwork. S.A.W was supported by NSF PIRE Grant OISE-0968211. GeoChip analysis was supported by NSF MacroSystems Biology program EF-1065844 to J.Z. Sample processing, sequencing and core amplicon data analysis were performed by the Earth Microbiome Project. NR 36 TC 11 Z9 11 U1 6 U2 65 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8901 EI 1365-2664 J9 J APPL ECOL JI J. Appl. Ecol. PD JUN PY 2015 VL 52 IS 3 BP 744 EP 752 DI 10.1111/1365-2664.12416 PG 9 WC Biodiversity Conservation; Ecology SC Biodiversity & Conservation; Environmental Sciences & Ecology GA CI5PW UT WOS:000354811700022 ER PT J AU Mott, R Daniels, M Lehning, M AF Mott, Rebecca Daniels, Megan Lehning, Michael TI Atmospheric Flow Development and Associated Changes in Turbulent Sensible Heat Flux over a Patchy Mountain Snow Cover SO JOURNAL OF HYDROMETEOROLOGY LA English DT Article ID LARGE-EDDY SIMULATIONS; FRACTAL ANALYSIS; SOLAR-RADIATION; COMPLEX TERRAIN; LOCAL ADVECTION; LAYER; MODEL; CATCHMENT; TUNDRA; PARAMETERIZATION AB In this study, the small-scale boundary layer dynamics and the energy balance over a fractional snow cover are numerically investigated. The atmospheric boundary layer flows over a patchy snow cover were calculated with an atmospheric model (Advanced Regional Prediction System) on a very high spatial resolution of 5 m. The numerical results revealed that the development of local flow patterns and the relative importance of boundary layer processes depend on the snow patch size distribution and the synoptic wind forcing. Energy balance calculations for quiescent wind situations demonstrated that well-developed katabatic winds exerted a major control on the energy balance over the patchy snow cover, leading to a maximum in the mean downward sensible heat flux over snow for high snow-cover fractions. This implies that if katabatic winds develop, total melt of snow patches may decrease for low snow-cover fractions despite an increasing ambient air temperature, which would not be predicted by most hydrological models. In contrast, stronger synoptic winds increased the effect of heat advection on the catchment's melt behavior by enhancing the mean sensible heat flux over snow for lower snow-cover fractions. A sensitivity analysis to grid resolution suggested that the grid size is a critical factor for modeling the energy balance of a patchy snow cover. The comparison of simulation results from coarse (50 m) and fine (5 m) horizontal resolutions revealed a difference in the spatially averaged turbulent heat flux over snow of 40%-70% for synoptic cases and 95% for quiescent cases. C1 [Mott, Rebecca; Lehning, Michael] WSL Inst Snow & Avalanche Res SLF, Davos, Switzerland. [Daniels, Megan] Lawrence Livermore Natl Lab, Livermore, CA USA. [Lehning, Michael] Ecole Polytech Fed Lausanne, Lab Cryospher Sci, Lausanne, Switzerland. RP Mott, R (reprint author), WSL Inst Snow & Avalanche Res SLF, Fluelastr 11, CH-7260 Davos, Switzerland. EM mott@slf.ch NR 57 TC 4 Z9 4 U1 1 U2 11 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 2015 VL 16 IS 3 BP 1315 EP 1340 DI 10.1175/JHM-D-14-0036.1 PG 26 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CI9YI UT WOS:000355126500021 ER PT J AU Burkes, DE Casella, AJ Casella, AM Luscher, WG Rice, FJ Pool, KN AF Burkes, Douglas E. Casella, Amanda J. Casella, Andrew M. Luscher, Walter G. Rice, Francine J. Pool, Karl N. TI Measurement of fission gas release from irradiated U-Mo monolithic fuel samples SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID NUCLEAR-FUEL AB The uranium-molybdenum (U-Mo) alloy in a monolithic form has been proposed as one fuel design capable of converting some of the world's highest power research reactors from the use of high enriched uranium (HEU) to low enriched uranium (LEU). One aspect of the fuel development and qualification process is to demonstrate appropriate understanding of the extent of fission product release from the fuel under anticipated service environments. An apparatus capable of heating post-irradiated small-scale samples cut from larger fuel segments according to specified thermal profiles under a controlled atmosphere has been installed into a hot cell. Results show that optimized experimental parameters to investigate fission product release from small samples have been established. Initial measurements conducted on aluminum alloy clad uranium-molybdenum monolithic fuel samples reveal three clear fission gas release events over the temperature range of 30-1000 degrees C. The mechanisms responsible for these events are discussed, and the results have been compared with available information in the literature. (C) 2015 Elsevier B.V. All rights reserved. C1 [Burkes, Douglas E.; Casella, Amanda J.; Casella, Andrew M.; Luscher, Walter G.; Pool, Karl N.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Rice, Francine J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Burkes, DE (reprint author), Pacific NW Natl Lab, Nucl Engn & Anal Grp, POB 999,MSIN K8-34, Richland, WA 99352 USA. EM Douglas.Burkes@pnnl.gov OI Casella, Andrew/0000-0002-4053-6593 FU National Nuclear Security Administration's Office of Material Management and Minimization Reactor Conversion Program [DE-AC05-76RL01830] FX The authors would like to acknowledge Mr. Jason Schulthess, Mr. Adam Robinson, Mr. Glenn Moore, Mr. Brady Mackowiak, Mr. Blair Park, Dr. Barry Rabin, and Mrs. Susan Case from Idaho National Laboratory for the fabrication and delivery of the surrogate plates and for preparation and delivery of the irradiated fuel segment. Installation of equipment into hot cells and the operations conducted in hot cells is a large undertaking. The authors would like to acknowledge those at Pacific Northwest National Laboratory who were involved in the preparation of samples and performance of measurements, specifically Ms. Nicole Green, Mr. Jake Bohlke, Mr. Dustin Blundon, Mr. Eric Hanson, Mr. Kevin Heaton, Mr. Robert Orton, Mr. Bruce Slonecker, Ms. Franciska Steen, Mr. Randy Thornhill, and Mr. Patrick Valdez. Finally, the authors would like to acknowledge the sponsor, the National Nuclear Security Administration's Office of Material Management and Minimization Reactor Conversion Program, for the opportunity to conduct this work under contract DE-AC05-76RL01830. NR 23 TC 1 Z9 1 U1 0 U2 3 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 2015 VL 461 BP 61 EP 71 DI 10.1016/j.jnucmat.2015.02.020 PG 11 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CI8LN UT WOS:000355023900009 ER PT J AU Barashev, AV Golubov, SI Stoller, RE AF Barashev, A. V. Golubov, S. I. Stoller, R. E. TI Theoretical investigation of microstructure evolution and deformation of zirconium under neutron irradiation SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID CASCADE-DAMAGE CONDITIONS; ALPHA-ZIRCONIUM; INTERSTITIAL CLUSTERS; GROWTH; ACCUMULATION; DIFFUSION; CRYSTAL; COPPER; BIAS AB The radiation growth of zirconium is studied using a reaction-diffusion model which takes into account intra-cascade clustering of self-interstitial atoms and one-dimensional diffusion of interstitial clusters. The observed dose dependence of strain rates is accounted for by accumulation of sessile dislocation loops during irradiation. The computational model developed and fitted to available experimental data is applied to study deformation of Zr single crystals under irradiation up to hundred dpa. The effect of cold work and the reasons for negative prismatic strains and co-existence of vacancy and interstitial loops are elucidated. (C) 2015 Elsevier B.V. All rights reserved. C1 [Barashev, A. V.; Golubov, S. I.; Stoller, R. E.] ORNL, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Barashev, A. V.] Univ Tennessee, Dept Mat Sci & Engn, Ctr Mat Proc, Knoxville, TN 37996 USA. RP Barashev, AV (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Ctr Mat Proc, East Stadium Hall, Knoxville, TN 37996 USA. EM abarashe@utk.edu FU Consortium for Advanced Simulation of Light Water Reactors, an Energy Innovation Hub for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy [DE-ACO5-000R22725] FX This research was supported by the Consortium for Advanced Simulation of Light Water Reactors (http://www.casl.gov), an Energy Innovation Hub (http://www.energy.gov/hubs) for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy Contract No. DE-ACO5-000R22725. NR 29 TC 3 Z9 3 U1 6 U2 30 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 2015 VL 461 BP 85 EP 94 DI 10.1016/j.jnucmat.2015.02.001 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CI8LN UT WOS:000355023900012 ER PT J AU Ott, LJ Robb, KR Wang, D AF Ott, L. J. Robb, K. R. Wang, D. TI Preliminary assessment of accident-tolerant fuels on LWR performance during normal operation and under DB and BDB accident conditions (vol 448, pg 520, 2014) SO JOURNAL OF NUCLEAR MATERIALS LA English DT Correction C1 [Ott, L. J.; Robb, K. R.; Wang, D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Ott, LJ (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM LJOtt13@gmail.com FU U.S. Department of Energy [DE-AC05-000R22725] FX This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-000R22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). NR 1 TC 0 Z9 0 U1 4 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 2015 VL 461 BP 178 EP 179 DI 10.1016/j.jnucmat.2015.02.030 PG 2 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CI8LN UT WOS:000355023900023 ER PT J AU Courty, OF Motta, AT Piotrowski, CJ Almer, JD AF Courty, Olivier F. Motta, Arthur T. Piotrowski, Christopher J. Almer, Jonathan D. TI Hydride precipitation kinetics in Zircaloy-4 studied using synchrotron X-ray diffraction SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID ZIRCONIUM; HYDROGEN; SOLUBILITY; ZR-2.5NB AB As a result of in-reactor corrosion during operation in nuclear reactors, hydrogen can enter the zirconium fuel cladding and precipitate as brittle hydride particles, which may reduce cladding ductility. Dissolved hydrogen responds to temperature gradients, resulting in transport and precipitation into cold spots so that the distribution of hydrides in the cladding is inhomogeneous. The hydrogen precipitation kinetics plays a strong role in the spatial distribution of the hydrides in the cladding. The precipitation rate is normally described as proportional to the supersaturation of hydrogen in solid solution. The proportionality constant, alpha(2), for hydride precipitation in Zircaloy-4 is measured directly using in situ synchrotron X-Ray diffraction, at different temperatures and with three different initial hydrogen concentrations. The results validate the linear approximation of the phenomenological model and a near constant value of alpha(2) = 4.5 x 10(-4) s(-1) was determined for the temperature range studied. (C) 2015 Elsevier B.V. All rights reserved. C1 [Motta, Arthur T.; Piotrowski, Christopher J.] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Almer, Jonathan D.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Motta, AT (reprint author), Penn State Univ, Dept Mech & Nucl Engn, 138 Reber Bldg, University Pk, PA 16802 USA. EM o.courty@gmail.com; atm2@psu.edu; cjp5169@psu.edu; almer@aps.anl.gov FU U.S. Department of Energy Nuclear Energy University Programs (NEUP) [11-2987]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This research was funded by the U.S. Department of Energy Nuclear Energy University Programs (NEUP) Project 11-2987. We thank Jun Park and the APS staff for their help in performing the experiments, and Mark Daymond for providing the Rawplot program and the Ceria files used in the analysis. We thank Donald Koss for helpful discussions and the Penn State Nanofab staff for their help in the preparation of the samples. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. NR 12 TC 2 Z9 2 U1 2 U2 13 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 2015 VL 461 BP 180 EP 185 DI 10.1016/j.jnucmat.2015.02.035 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CI8LN UT WOS:000355023900024 ER PT J AU Buck, EC Mausolf, EJ McNamara, BK Soderquist, CZ Schwantes, JM AF Buck, Edgar C. Mausolf, Edward J. McNamara, Bruce K. Soderquist, Chuck Z. Schwantes, Jon M. TI Nanostructure of metallic particles in light water reactor used nuclear fuel SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID HIGH-BURNUP; ELECTRON-MICROSCOPY; EPSILON-PHASE; OXIDE FUELS; BEHAVIOR; DISSOLUTION; UO2; CRYSTALLIZATION; EVOLUTION; RESIDUES AB An extraordinary nano-structure has been observed in the metallic (Mo-Tc-Ru-Rh-Pd) particles that are known to form during irradiated in light water nuclear reactor fuels. This structure points possible high catalytic reactivity through the occurrence of a very high surface area as well as defect sites. We have analyzed separated metallic particles from dissolved high burn-up spent nuclear fuel using scanning and transmission electron microscopy. The larger particles vary in diameter between similar to 10 and similar to 300 nm and possess a hexagonally close packed epsilon-ruthenium structure. These particles are not always single crystals but often consist of much smaller crystallites on the order of 1-3 nm in diameter with evidence suggesting the occurrence of some amorphous regions. It is possible that neutron irradiation and fission product recoils generated the unusual small crystallite size. The composition of the metallic particles was variable with low levels of uranium present in some of the particles. We hypothesize that the uranium may have induced the formation of the amorphous (or frustrated) metal structure. This unique nano-structure may play an important role in the environmental behavior of nuclear fuels. Published by Elsevier B.V. C1 [Buck, Edgar C.; Mausolf, Edward J.; McNamara, Bruce K.; Soderquist, Chuck Z.; Schwantes, Jon M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Buck, EC (reprint author), Pacific NW Natl Lab, POB 999,Mail Stop P7-27, Richland, WA 99352 USA. EM edgar.buck@pnnl.gov RI Buck, Edgar/N-7820-2013 OI Buck, Edgar/0000-0001-5101-9084 FU United States Department of Energy [DE-AC05-76RL01830] FX The work described was performed by Pacific Northwest National Laboratory, which is operated by Battelle for the United States Department of Energy under Contract DE-AC05-76RL01830. NR 43 TC 1 Z9 1 U1 2 U2 15 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 2015 VL 461 BP 236 EP 243 DI 10.1016/j.jnucmat.2015.03.001 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CI8LN UT WOS:000355023900032 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 The recovery of irradiation damage for Zircaloy-2 and Zircaloy-4 following low dose neutron irradiation at nominally 358 degrees C SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID ZIRCONIUM ALLOYS; DISLOCATION LOOPS; ELECTRON-IRRADIATION; TENSILE PROPERTIES; MICROSTRUCTURE EVOLUTION; MECHANICAL-PROPERTIES; HCP METALS; RADIATION; DEFORMATION; RESISTIVITY AB The recovery of irradiation damage in wrought Zircaloy-2 and Zircaloy-4 was determined following a series of post-irradiation anneals at temperatures ranging from 343 degrees C to 510 degrees C and for time periods ranging from 1-h to 500 h. The materials had been irradiated at nominally 358 degrees C in the High Flux Isotope Reactor (HFIR) at neutron fluences of nominally 3 x 10(25) n/m(2) (E > 1 MeV). Irradiation at nominally 358 degrees C resulted in a coarser distribution of < a > loops that result in a 25-45% lower irradiation hardening than reported in the literature for irradiations at 260-326 degrees C. The irradiation hardening and recovery were determined using tensile testing at room-temperature. Post-irradiation annealing at 343-427 degrees C was shown to result in an increase in irradiation hardening to values even higher than for the as-irradiated material in the first 1-10 h of annealing. This Radiation Anneal Hardening (RAH) was followed by a relatively slow recovery of the irradiation damage. Much faster recovery with no RAH was observed for post-irradiation annealing at temperatures of 454-510 degrees C. Irradiation at 358 degrees C was shown to result in different recovery kinetics than observed in the literature for irradiation at 260-326 degrees C. While the general trend described above is true for the four materials tested (alpha-annealed and beta-treated Zircaloy-2 and Zircaloy-4), notable and yet unexplained differences in RAH and in recovery are observed between the materials that might be a result of differing solute effects. Examinations of microstructure using Transmission Electron Microscopy were used to investigate the RAH and recovery mechanisms. Agreement between the measured and calculated irradiation hardening using a generalized Orowan hardening model to account for the observed loop structure was not as close for the post irradiation annealed condition as for the as-irradiated condition, which can likely be attributed to unaccounted for changes in the configuration of the < a > loops to dislocation lines, segregation of solutes to dislocation loops, and the potential for the formation of fine clusters of point defects or solutes during annealing. (C) 2015 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 FX This work was supported by USDOE. The authors are grateful for the review and comments provided by B.F. Kammenzind. Thanks also to the following ORNL personnel for their efforts in completing the testing (A.W. Williams, L.T. Gibson, and M.J. Meyers), a Department of Energy Office of Science User Facility. NR 70 TC 2 Z9 2 U1 5 U2 19 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2015 VL 461 BP 244 EP 264 DI 10.1016/j.jnucmat.2015.03.003 PG 21 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CI8LN UT WOS:000355023900033 ER PT J AU Hu, XX Terrani, KA Wirth, BD Snead, LL AF Hu, Xunxiang Terrani, Kurt A. Wirth, Brian D. Snead, Lance L. TI Hydrogen permeation in FeCrAl alloys for LWR cladding application SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID AUSTENITIC STAINLESS-STEELS; HIGH-TEMPERATURE OXIDATION; UO2 NUCLEAR-FUEL; ZR-H SYSTEM; ZIRCONIUM HYDRIDE; DIFFUSION; IRON; PERMEABILITY; DESORPTION; SOLUBILITY AB FeCrAl, an advanced oxidation-resistant iron-based alloy class, is a highly prevalent candidate as an accident-tolerant fuel cladding material. Compared with traditional zirconium alloy fuel cladding, increased tritium permeation through FeCrAl fuel cladding to the primary coolant is expected, raising potential safety concerns. In this study, the hydrogen permeability of several FeCrAl alloys was obtained using a static permeation test station, which was calibrated and validated using 304 stainless steel. The high hydrogen permeability of FeCrAl alloys leads to concerns with respect to potentially significant tritium release when used for fuel cladding in LWRs. The total tritium inventory inside the primary coolant of a light water reactor was quantified by applying a 1-dimensional steady state tritium diffusion model to demonstrate the dependence of tritium inventory on fuel cladding type. Furthermore, potential mitigation strategies for tritium release from FeCrAl fuel cladding were discussed and indicate the potential for application of an alumina layer on the inner clad surface to serve as a tritium barrier. More effort is required to develop a robust, economical mitigation strategy for tritium permeation in reactors using FeCrAl clad fuel assemblies. (C) 2015 Elsevier B.V. All rights reserved. C1 [Hu, Xunxiang; Wirth, Brian D.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. [Hu, Xunxiang; Terrani, Kurt A.; Wirth, Brian D.; Snead, Lance L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Hu, XX (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Wirth, Brian/O-4878-2015; Hu, Xunxiang/N-3267-2016 OI Wirth, Brian/0000-0002-0395-0285; Hu, Xunxiang/0000-0002-4271-2327 FU U.S. Department of Energy's office of Nuclear Energy, Advanced Fuel Campaign of the Fuel Cycle RD program FX The authors would like to extend their gratitude to Dr. Yukinori Yamamoto for providing FeCrAl alloys for this research as well as Theodore Besmann for helping with the thermodynamics calculations. Thoughtful discussions and guidance received from Kevin Field and Bruce Pint at ORNL are also gratefully acknowledged. The work presented in this paper was funded by the U.S. Department of Energy's office of Nuclear Energy, Advanced Fuel Campaign of the Fuel Cycle R&D program. NR 46 TC 1 Z9 1 U1 7 U2 44 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2015 VL 461 BP 282 EP 291 DI 10.1016/j.jnucmat.2015.02.040 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CI8LN UT WOS:000355023900036 ER PT J AU Gerczak, TJ Leng, B Sridharan, K Hunter, JL Giordani, AJ Allen, TR AF Gerczak, Tyler J. Leng, Bin Sridharan, Kumar Hunter, Jerry L., Jr. Giordani, Andrew J. Allen, Todd. R. TI Observations of Ag diffusion in ion implanted SiC SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID COATED PARTICLE FUEL; INTERSTITIAL DEPTH PROFILES; INTRINSIC POINT-DEFECTS; CUBIC SILICON-CARBIDE; SELF-DIFFUSION; SILVER TRANSPORT; PROJECTED-RANGE; IRRADIATION; RELEASE; BORON AB The nature and magnitude of Ag diffusion in SiC has been a topic of interest in connection with the performance of tristructural isotropic (TRISO) coated particle fuel for high temperature gas-cooled nuclear reactors. Ion implantation diffusion couples have been revisited to continue developing a more complete understanding of Ag fission product diffusion in SiC. Ion implantation diffusion couples fabricated from single crystal 4H-SiC and polycrystalline 3C-SiC substrates and exposed to 1500-1625 degrees C, were investigated by transmission electron microscopy and secondary ion mass spectrometry (SIMS). The high dynamic range of SIMS allowed for multiple diffusion regimes to be investigated, including enhanced diffusion by implantation-induced defects and grain boundary (GB) diffusion in undamaged SiC. Estimated diffusion coefficients suggest GB diffusion in bulk SiC does not properly describe the release observed from TRISO fuel. Published by Elsevier B.V. C1 [Gerczak, Tyler J.] Univ Wisconsin, Mat Sci Program, Madison, WI 53706 USA. [Leng, Bin; Sridharan, Kumar; Allen, Todd. R.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Hunter, Jerry L., Jr.; Giordani, Andrew J.] Virginia Tech, Nanoscale Characterizat & Fabricat Lab, Blacksburg, VA 24061 USA. RP Gerczak, TJ (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM gerczaktj@ornl.gov OI Allen, Todd/0000-0002-2372-7259; Gerczak, Tyler/0000-0001-9967-3579 FU US DOE, Office of Nuclear Energy Nuclear Energy University Program (NEUP) [11-2988]; US DOE, Office of Nuclear Energy under DOE Idaho Operations Office [DE-AC07-051D14517] FX The authors would like to thank Prof. Izabela Szlufarska and Prof. Dane Morgan for their critical discussions concerning the topic of Ag diffusion in SiC. The authors would also like to thank Dr. Ovidiu Toader for conducting the Ag implantations at the MIBL. A portion of this research utilized National Science Foundation (NSF) supported shared facilities at the University of Wisconsin. This work supported by the US DOE, Office of Nuclear Energy Nuclear Energy University Program (NEUP), award no. 11-2988 and by the US DOE, Office of Nuclear Energy under DOE Idaho Operations Office Contract DE-AC07-051D14517, as part of an ATR-NSUF experiment. NR 56 TC 7 Z9 7 U1 6 U2 26 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 2015 VL 461 BP 314 EP 324 DI 10.1016/j.jnucmat.2015.03.027 PG 11 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CI8LN UT WOS:000355023900040 ER PT J AU Lillard, RS Forsyth, RT AF Lillard, R. S. Forsyth, R. T. TI A thermal desorption spectroscopy study of hydrogen trapping in polycrystalline alpha-uranium SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID DECOMPOSITION KINETICS; HYDRIDE; SYSTEM; CORROSION; BOUNDARY; SURFACES; POWDER AB The kinetics of hydrogen desorption from polycrystalline alpha-uranium (alpha-U) was examined using thermal desorption spectroscopy (TDS). The goal was to identify the major trap sites for hydrogen and their associated trap energies. In polycrystalline alpha-U six TDS adsorption peaks were observed at temperatures of 521 K, 556 K, 607 K, 681 K, 793 K and 905 K. In addition, the desorption was determined to be second order based on peak shape. The position of the first three peaks was consistent with desorption from UH3. To identify the trap site corresponding to the high temperature peaks the data were compared to a plastically deformed sample and a high purity single crystal sample. The plastically deformed sample allowed the identification of trapping at dislocations while the single crystal sample allow for the identification of high angle boundaries and impurities. With respect to the desorption energy associated with each peak, values between 12.9 and 26.5 kJ/mole were measured. Published by Elsevier B.V. C1 [Lillard, R. S.] Univ Akron, Dept Chem & Biomol Engn, Akron, OH 44325 USA. [Forsyth, R. T.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Lillard, RS (reprint author), Univ Akron, Dept Chem & Biomol Engn, Akron, OH 44325 USA. EM lillard@uakron.edu FU Los Alamos National Security LLC for the National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX Experimental work for this paper was performed at the Los Alamos National Laboratory under the Enhanced Surveillance Campaign, Thomas Zocco program manager. Data analysis and manuscript preparation were supported by the University of Akron. LANL is operated by Los Alamos National Security LLC for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. The authors thank Marilyn Hawley for help with the STM measurements and Michael Baskes and Mary Ann Hill for insightful discussions. The uranium single crystal used in this work was prepared by CMT Division, Argonne National Laboratory. NR 34 TC 2 Z9 2 U1 3 U2 19 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD JUN PY 2015 VL 461 BP 341 EP 349 DI 10.1016/j.jnucmat.2015.03.023 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA CI8LN UT WOS:000355023900044 ER PT J AU Egnatuk, CM Wang, TF AF Egnatuk, Christine M. Wang, Tzu-Fang TI Differentiating special nuclear materials through computationally generated gamma-ray spectra SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE MCNP; Gamma spectroscopy; SNM; HPGe AB This work focuses on providing a first step interpretation of fission product gamma-ray spectra from 0.1 h to 10 days after a fission event. The activity of fission products from mass chains 89 through 92 and 131 through 141 was evaluated using independent fission yields. An MCNP model was used to simulate the gamma-ray spectra from a single HPGe crystal for the radionuclides of interest for a sample of U-235 and Pu-239 assuming a fission neutron spectrum. The ratios of the activities were evaluated for differences in the spectrum. The analysis was optimized for radionuclides with prominent gamma-ray branches and a large difference in intensities between U-235 fission versus Pu-239 fission. C1 [Egnatuk, Christine M.; Wang, Tzu-Fang] Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, Livermore, CA 94551 USA. RP Egnatuk, CM (reprint author), Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, LLNL JRNL 663222,7000 East Ave, Livermore, CA 94551 USA. EM egnatuk1@llnl.gov FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; National Nuclear Security Agency's Office of Defense Nuclear Nonproliferation Research and Development; Defense Threat Reduction Agency [IAA DTRA10027-10771-1] FX This work performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This work was funded by the National Nuclear Security Agency's Office of Defense Nuclear Nonproliferation Research and Development and by the Defense Threat Reduction Agency under IAA DTRA10027-10771-1. NR 13 TC 0 Z9 0 U1 1 U2 4 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 2015 VL 304 IS 3 BP 1211 EP 1217 DI 10.1007/s10967-015-3938-3 PG 7 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA CH5RX UT WOS:000354094100028 ER PT J AU Rossbach, M Genreith, C Randriamalala, T Mauerhofer, E Revay, Z Kudejova, P Sollradl, S Belgya, T Szentmiklosi, L Firestone, RB Hurst, AM Bernstein, L Sleaford, B Escher, JE AF Rossbach, M. Genreith, C. Randriamalala, T. Mauerhofer, E. Revay, Zs. Kudejova, P. Soellradl, S. Belgya, T. Szentmiklosi, L. Firestone, R. B. Hurst, A. M. Bernstein, L. Sleaford, B. Escher, J. E. TI TANDEM: a mutual cooperation effort for transactinide nuclear data evaluation and measurement SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Prompt gamma activation analysis (PGAA); Actinides; Neutron capture cross section; Fission neutrons; Inelastic scattering reactions; Gamma-ray spectroscopy ID GAMMA-RAY SPECTRA; AUTOMATIC-ANALYSIS; RESEARCH REACTOR; HYPERMET-PC; UNCERTAINTIES; ACTIVATION; PROGRAM; NP-237; PGAA AB The need for accurate nuclear reaction data of actinides is well documented and several initiatives from international organizations for improvement have been initiated in the past. This need, particularly in view of method development for non-destructive assay of nuclear waste, has generated a joint effort to use prompt and delayed neutron activation techniques to enhance nuclear capture data of some long lived actinides such as Np-237, Pu-242 and Am-241 in the frame of a multilateral cooperation. This research initiative is targeted to lay grounds for the development of a non-destructive active neutron interrogation technique to quantify actinides in mixed waste and residues from decommissioning of nuclear installations for safe treatment and storage of such materials. C1 [Rossbach, M.; Genreith, C.; Randriamalala, T.; Mauerhofer, E.] Forschungszentrum Julich, Inst Energy & Climate Res, IEK Nucl Waste Management & Reactor Safety 6, D-52425 Julich, Germany. [Revay, Zs.; Kudejova, P.; Soellradl, S.] Tech Univ Munich, Forsch Neutronenquelle Heinz Maier Leibnitz, FRM 2, D-85748 Garching, Germany. [Belgya, T.; Szentmiklosi, L.] Hungarian Acad Sci, Energy Res Ctr, MTA EK, Budapest, Hungary. [Firestone, R. B.; Hurst, A. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bernstein, L.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Sleaford, B.; Escher, J. E.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Rossbach, M (reprint author), Forschungszentrum Julich, Inst Energy & Climate Res, IEK Nucl Waste Management & Reactor Safety 6, D-52425 Julich, Germany. EM m.rossbach@fz-juelich.de RI Szentmiklosi, Laszlo/F-5362-2015; Sollradl, Stefan/F-6704-2015; OI Szentmiklosi, Laszlo/0000-0001-7747-8545; Sollradl, Stefan/0000-0002-6823-3543; Rossbach, Matthias/0000-0002-4342-743X; Kudejova, Petra/0000-0003-1485-3672; Randriamalala, Tsitohaina Hary/0000-0001-9644-2142 FU BMBF [02S9052]; EURATOM FP7 ERINDA project [269499]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX Many individuals have actively contributed to the success of this collaboration. We would like to sincerely thank them all without mentioning all of them. Special thanks are going to the workshop team of Ayhan Egmen of the FZJ and the team of the FRM II, radiation safety and security. We are particularly thankful for generous financial support by the BMBF under Grant 02S9052 and to Dr. M. Weigl from the Projekttrager Karlsruhe as the competent and always helpful administrator of the project. Financial support for our irradiations at the Budapest research reactor was generously provided by the EURATOM FP7 ERINDA project (Grant Agreement No. 269499). This work was performed in part under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. NR 17 TC 2 Z9 2 U1 1 U2 9 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 2015 VL 304 IS 3 BP 1359 EP 1363 DI 10.1007/s10967-015-4001-0 PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA CH5RX UT WOS:000354094100045 ER PT J AU Zhang, GJ Fan, JW Xu, KM AF Zhang, Guang J. Fan, Jiwen Xu, Kuan-Man TI Comments on "A Unified Representation of Deep Moist Convection in Numerical Modeling of the Atmosphere. Part I" SO JOURNAL OF THE ATMOSPHERIC SCIENCES LA English DT Editorial Material C1 [Zhang, Guang J.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Fan, Jiwen] Pacific NW Natl Lab, Richland, WA 99352 USA. [Xu, Kuan-Man] NASA, Langley Res Ctr, Hampton, VA 23665 USA. RP Zhang, GJ (reprint author), Univ Calif San Diego, Scripps Inst Oceanog, CASPO, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM gzhang@ucsd.edu RI Fan, Jiwen/E-9138-2011; Xu, Kuan-Man/B-7557-2013 OI Xu, Kuan-Man/0000-0001-7851-2629 NR 3 TC 2 Z9 2 U1 0 U2 6 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 2015 VL 72 IS 6 BP 2562 EP 2565 DI 10.1175/JAS-D-14-0246.1 PG 4 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CI9RW UT WOS:000355108500022 ER PT J AU Hulot, SL Korber, B Giorgi, EE Vandergrift, N Saunders, KO Balachandran, H Mach, LV Lifton, MA Pantaleo, G Tartaglia, J Phogat, S Jacobs, B Kibler, K Perdiguero, B Gomez, CE Esteban, M Rosati, M Felber, BK Pavlakis, GN Parks, R Lloyd, K Sutherland, L Scearce, R Letvin, NL Seaman, MS Alam, SM Montefiori, D Liao, HX Haynes, BF Santra, S AF Hulot, Sandrine L. Korber, Bette Giorgi, Elena E. Vandergrift, Nathan Saunders, Kevin O. Balachandran, Harikrishnan Mach, Linh V. Lifton, Michelle A. Pantaleo, Giuseppe Tartaglia, Jim Phogat, Sanjay Jacobs, Bertram Kibler, Karen Perdiguero, Beatriz Gomez, Carmen E. Esteban, Mariano Rosati, Margherita Felber, Barbara K. Pavlakis, George N. Parks, Robert Lloyd, Krissey Sutherland, Laura Scearce, Richard Letvin, Norman L. Seaman, Michael S. Alam, S. Munir Montefiori, David Liao, Hua-Xin Haynes, Barton F. Santra, Sampa TI Comparison of Immunogenicity in Rhesus Macaques of Transmitted-Founder, HIV-1 Group M Consensus, and Trivalent Mosaic Envelope Vaccines Formulated as a DNA Prime, NYVAC, and Envelope Protein Boost SO JOURNAL OF VIROLOGY LA English DT Article ID HUMAN-IMMUNODEFICIENCY-VIRUS; T-CELL RESPONSES; IMMUNE-RESPONSES; LYMPHOCYTE RESPONSES; AIDS VACCINE; MONKEYS; DIVERSITY; ANTIBODIES; INFECTION; EFFICACY AB An effective human immunodeficiency virus type 1 (HIV-1) vaccine must induce protective antibody responses, as well as CD4(+) and CD8(+) T cell responses, that can be effective despite extraordinary diversity of HIV-1. The consensus and mosaic immunogens are complete but artificial proteins, computationally designed to elicit immune responses with improved cross-reactive breadth, to attempt to overcome the challenge of global HIV diversity. In this study, we have compared the immunogenicity of a transmitted-founder (T/F) B clade Env (B.1059), a global group M consensus Env (Con-S), and a global trivalent mosaic Env protein in rhesus macaques. These antigens were delivered using a DNA prime-recombinant NYVAC (rNYVAC) vector and Env protein boost vaccination strategy. While Con-S Env was a single sequence, mosaic immunogens were a set of three Envs optimized to include the most common forms of potential T cell epitopes. Both Con-S and mosaic sequences retained common amino acids encompassed by both antibody and T cell epitopes and were central to globally circulating strains. Mosaics and Con-S Envs expressed as full-length proteins bound well to a number of neutralizing antibodies with discontinuous epitopes. Also, both consensus and mosaic immunogens induced significantly higher gamma interferon (IFN-gamma) enzyme-linked immunosorbent spot assay (ELISpot) responses than B. 1059 immunogen. Immunization with these proteins, particularly Con-S, also induced significantly higher neutralizing antibodies to viruses than B. 1059 Env, primarily to tier 1 viruses. Both Con-S and mosaics stimulated more potent CD8-T cell responses against heterologous Envs than did B.1059. Both antibody and cellular data from this study strengthen the concept of using in silico-designed centralized immunogens for global HIV-1 vaccine development strategies. C1 [Hulot, Sandrine L.; Balachandran, Harikrishnan; Mach, Linh V.; Lifton, Michelle A.; Letvin, Norman L.; Seaman, Michael S.; Santra, Sampa] Harvard Univ, Beth Israel Deaconess Med Ctr, Sch Med, Boston, MA 02215 USA. [Korber, Bette; Giorgi, Elena E.] Los Alamos Natl Lab, Los Alamos, NM USA. [Vandergrift, Nathan; Saunders, Kevin O.; Parks, Robert; Lloyd, Krissey; Sutherland, Laura; Scearce, Richard; Alam, S. Munir; Montefiori, David; Liao, Hua-Xin; Haynes, Barton F.] Duke Univ, Med Ctr, Duke Human Vaccine Inst, Durham, NC USA. [Pantaleo, Giuseppe] Univ Lausanne, CHUV, Lausanne, Switzerland. [Tartaglia, Jim; Phogat, Sanjay] Sanofi Pasteur, Toronto, ON, Canada. [Jacobs, Bertram; Kibler, Karen] Arizona State Univ, Ctr Infect Dis & Vaccinol, Biodesign Inst, Tempe, AZ USA. [Perdiguero, Beatriz; Gomez, Carmen E.; Esteban, Mariano] Ctr Nacl Biotecnol, Madrid, Spain. [Rosati, Margherita; Felber, Barbara K.; Pavlakis, George N.] NCI, Frederick, MD 21701 USA. RP Santra, S (reprint author), Harvard Univ, Beth Israel Deaconess Med Ctr, Sch Med, Boston, MA 02215 USA. EM ssantra@bidmc.harvard.edu OI Korber, Bette/0000-0002-2026-5757 FU NIAID NIH HHS [P30-AI060354, U19 AI067854, U19-AI067854-07, UM1 AI100645, P30 AI060354, UM1-AI-100645]; NIH HHS [OD011103, P51 OD011103] NR 50 TC 11 Z9 11 U1 2 U2 6 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 2015 VL 89 IS 12 BP 6462 EP 6480 DI 10.1128/JVI.00383-15 PG 19 WC Virology SC Virology GA CI3OU UT WOS:000354657900028 PM 25855741 ER PT J AU Kolda, TG AF Kolda, Tamara G. TI Numerical optimization for symmetric tensor decomposition SO MATHEMATICAL PROGRAMMING LA English DT Article; Proceedings Paper CT 22nd International Symposium on Mathematical Programming (ISMP) CY JUL 12-17, 2015 CL Pittsburgh, PA DE Symmetric; Outer product; Canonical polyadic; Tensor decomposition; Completely positive; Nonnegative ID ALGORITHMS; APPROXIMATION; RANK-1 AB We consider the problem of decomposing a real-valued symmetric tensor as the sum of outer products of real-valued vectors. Algebraic methods exist for computing complex-valued decompositions of symmetric tensors, but here we focus on real-valued decompositions, both unconstrained and nonnegative, for problems with low-rank structure. We discuss when solutions exist and how to formulate the mathematical program. Numerical results show the properties of the proposed formulations (including one that ignores symmetry) on a set of test problems and illustrate that these straightforward formulations can be effective even though the problem is nonconvex. C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Kolda, TG (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM tgkolda@sandia.gov FU US Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The anonymous referees provided extremely useful feedback that has greatly improved the manuscript. This material is based upon work supported by the US Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics 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 US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 44 TC 3 Z9 4 U1 2 U2 11 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0025-5610 EI 1436-4646 J9 MATH PROGRAM JI Math. Program. PD JUN PY 2015 VL 151 IS 1 SI SI BP 225 EP 248 DI 10.1007/s10107-015-0895-0 PG 24 WC Computer Science, Software Engineering; Operations Research & Management Science; Mathematics, Applied SC Computer Science; Operations Research & Management Science; Mathematics GA CI3BU UT WOS:000354623300009 ER PT J AU Zhou, WC List, FA Duty, CE Babu, SS AF Zhou, Wenchao List, Frederick A. Duty, Chad E. Babu, Sudarsanam S. TI Sintering Kinetics of Inkjet-Printed Conductive Silver Lines on Insulating Plastic Substrate SO METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE LA English DT Article ID ROOM-TEMPERATURE; CIRCUITS; TECHNOLOGY; DEPOSITION; TRACKS; POWDER; STAGE; INKS AB This paper focuses on sintering kinetics of inkjet-printed lines containing silver nanoparticles deposited on a plastic substrate. Upon heat treatment, the change of resistance in the printed lines was measured as a function of time and sintering temperatures from 423 K to 473 K (150 A degrees C to 200 A degrees C). A new phenomenon was observed that a critical temperature existed for the sintering process, beyond which there was no further reduction in resistance. Experimental evidence and analysis show the critical temperature is associated with the boiling point of the solvent. New sintering mechanisms have been proposed to explain the observed phenomenon, including accelerated diffusion facilitated by the existence of liquid solution based on the theory of liquid phase sintering, and particle collision and coalescence caused by the induced liquid flows in the solution. The proposed theory suggest new means can be devised to improve the sintering results for inkjet-printed lines and other applications. (C) The Minerals, Metals & Materials Society and ASM International 2015 C1 [Zhou, Wenchao] Univ Arkansas, Dept Mech Engn, Fayetteville, AR 72701 USA. [List, Frederick A.; Duty, Chad E.; Babu, Sudarsanam S.] Oak Ridge Natl Lab, Mfg Demonstrat Facil, Oak Ridge, TN 37831 USA. [Duty, Chad E.; Babu, Sudarsanam S.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Adv Mfg, Knoxville, TN 37996 USA. RP Zhou, WC (reprint author), Univ Arkansas, Dept Mech Engn, Fayetteville, AR 72701 USA. EM zhouw@uark.edu RI Babu, Sudarsanam/D-1694-2010 OI Babu, Sudarsanam/0000-0002-3531-2579 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office [DE-AC05-00OR22725]; UT-Battelle, LLC. FX This work is sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 39 TC 1 Z9 1 U1 5 U2 29 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5615 EI 1543-1916 J9 METALL MATER TRANS B JI Metall. Mater. Trans. B-Proc. Metall. Mater. Proc. Sci. PD JUN PY 2015 VL 46 IS 3 BP 1542 EP 1547 DI 10.1007/s11663-014-0288-4 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CI4JZ UT WOS:000354715800042 ER PT J AU Ullrich, PA Taylor, MA AF Ullrich, Paul A. Taylor, Mark A. TI Arbitrary-Order Conservative and Consistent Remapping and a Theory of Linear Maps: Part I SO MONTHLY WEATHER REVIEW LA English DT Article ID REGULAR LATITUDE-LONGITUDE; CUBED-SPHERE GRIDS; INTERPOLATION; SCHEMES; MESHES AB The design of accurate, conservative, consistent, and monotone operators for remapping scalar fields between computational grids on the sphere has been a persistent issue for global modeling groups. This problem is especially pronounced when mapping between distinct discretizations (such as finite volumes or finite elements). To this end, this paper provides a novel unified mathematical framework for the development of linear remapping operators. This framework is then applied in the development of high-order conservative, consistent, and monotone linear remapping operators from a finite-element discretization to a finite-volume discretization. The resulting scheme is evaluated in the context of both idealized and operational simulations and shown to perform well for a variety of problems. C1 [Ullrich, Paul A.] Univ Calif Davis, Dept Land Air & Water Resources, Davis, CA 95616 USA. [Taylor, Mark A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ullrich, PA (reprint author), Univ Calif Davis, Dept Land Air & Water Resources, 1 Shields Ave, Davis, CA 95616 USA. EM paullrich@ucdavis.edu RI Ullrich, Paul/E-9350-2015 OI Ullrich, Paul/0000-0003-4118-4590 FU Department of Energy, Office of Science, Division for Advanced Scientific Computing Research; "Multiscale Methods for Accurate, Efficient, and Scale-Aware Models of the Earth System" program FX The authors thank Iulian Grindeanu and Vijay S. Mahadevan for several helpful discussions on the development of the search algorithm. The authors would like to further thank Hans Johansen and Dharshi Devendran for their discussions on the development of the remapping algorithm. We would also like to thank the input of the three anonymous reviewers for improving the clarity of the manuscript. This project is funded through the Department of Energy, Office of Science, Division for Advanced Scientific Computing Research and the "Multiscale Methods for Accurate, Efficient, and Scale-Aware Models of the Earth System" program. NR 20 TC 5 Z9 5 U1 0 U2 3 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0027-0644 EI 1520-0493 J9 MON WEATHER REV JI Mon. Weather Rev. PD JUN PY 2015 VL 143 IS 6 BP 2419 EP 2440 DI 10.1175/MWR-D-14-00343.1 PG 22 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CJ0TL UT WOS:000355190900024 ER PT J AU Fu, A Yang, PD AF Fu, Anthony Yang, Peidong TI Lower threshold for nanowire lasers SO NATURE MATERIALS LA English DT News Item AB Hybrid perovskite is introduced as a new material for nanowire lasers. One-dimensional nanostructures of these perovskites can be optically pumped to lase with tunable wavelength at relatively low threshold, which marks a step towards their use in integrated photonics. C1 [Fu, Anthony; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Fu, Anthony; Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Fu, A (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu NR 6 TC 18 Z9 18 U1 23 U2 163 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 2015 VL 14 IS 6 BP 557 EP 558 PG 2 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA CI5MP UT WOS:000354801500010 PM 25990907 ER PT J AU Edelman, A Littlewood, P AF Edelman, Alex Littlewood, Peter TI SUPERCONDUCTIVITY The persistence of pairs SO NATURE MATERIALS LA English DT News Item AB Fingerprints of electron pairing in a range of temperature and magnetic field above the bulk superconducting phase transition have been found, which may be evidence for the long-sought 'preformed pairs' expected in strongly coupled or very dilute superconductors. C1 [Edelman, Alex; Littlewood, Peter] James Franck Inst, Chicago, IL 60637 USA. [Edelman, Alex; Littlewood, Peter] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Littlewood, Peter] Argonne Natl Lab, Lemont, IL 60439 USA. RP Edelman, A (reprint author), James Franck Inst, 929 East 57th St, Chicago, IL 60637 USA. EM aoe@uchicago.edu; pblittlewood@anl.gov RI Littlewood, Peter/B-7746-2008; OI Edelman, Alex/0000-0002-2025-4679 NR 6 TC 0 Z9 0 U1 2 U2 17 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 2015 VL 14 IS 6 BP 565 EP 566 PG 2 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA CI5MP UT WOS:000354801500016 PM 25990911 ER PT J AU He, JF Hogan, T Mion, TR Hafiz, H He, Y Denlinger, JD Mo, SK Dhital, C Chen, X Lin, QS Zhang, Y Hashimoto, M Pan, H Lu, DH Arita, M Shimada, K Markiewicz, RS Wang, Z Kempa, K Naughton, MJ Bansil, A Wilson, SD He, RH AF He, Junfeng Hogan, T. Mion, Thomas R. Hafiz, H. He, Y. Denlinger, J. D. Mo, S-K. Dhital, C. Chen, X. Lin, Qisen Zhang, Y. Hashimoto, M. Pan, H. Lu, D. H. Arita, M. Shimada, K. Markiewicz, R. S. Wang, Z. Kempa, K. Naughton, M. J. Bansil, A. Wilson, S. D. He, Rui-Hua TI Spectroscopic evidence for negative electronic compressibility in a quasi-three-dimensional spin-orbit correlated metal SO NATURE MATERIALS LA English DT Article ID 2-DIMENSIONAL ELECTRON; QUANTUM CAPACITANCE; COMPOSITE-MATERIALS; GRAPHENE AB Negative compressibility is a sign of thermodynamic instability of open(1-3) or non-equilibrium(4,5) systems. In quantum materials consisting of multiple mutually coupled subsystems, the compressibility of one subsystem can be negative if it is countered by positive compressibility of the others. Manifestations of this effect have so far been limited to low-dimensional dilute electron systems(6-11). Here, we present evidence from angle-resolved photoemission spectroscopy (ARPES) for negative electronic compressibility (NEC) in the quasi-three-dimensional (3D) spin-orbit correlated metal (Sr1-xLax)(3)Ir2O7. Increased electron filling accompanies an anomalous decrease of the chemical potential, as indicated by the overall movement of the deep valence bands. Such anomaly, suggestive of NEC, is shown to be primarily driven by the lowering in energy of the conduction band as the correlated bandgap reduces. Our finding points to a distinct pathway towards an uncharted territory of NEC featuring bulk correlated metals with unique potential for applications in low-power nanoelectronics and novel metamaterials. C1 [He, Junfeng; Hogan, T.; Mion, Thomas R.; Dhital, C.; Chen, X.; Lin, Qisen; Pan, H.; Wang, Z.; Kempa, K.; Naughton, M. J.; Wilson, S. D.; He, Rui-Hua] Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. [Hafiz, H.; Markiewicz, R. S.; Bansil, A.] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. [He, Y.; Hashimoto, M.; Lu, D. H.] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [He, Y.; Hashimoto, M.; Lu, D. H.] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Denlinger, J. D.; Mo, S-K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Zhang, Y.] Peking Univ, Int Ctr Quantum Mat, Beijing 100871, Peoples R China. [Arita, M.; Shimada, K.] Hiroshima Univ, Hiroshima Synchrotron Radiat Ctr, Hiroshima 7390046, Japan. [Wilson, S. D.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. RP He, RH (reprint author), Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. EM ruihua.he@bc.edu RI He, Junfeng/J-2664-2014; Mo, Sung-Kwan/F-3489-2013; Shimada, Kenya/G-5080-2016; Dhital, Chetan/O-5634-2016 OI Mo, Sung-Kwan/0000-0003-0711-8514; Shimada, Kenya/0000-0002-1945-2352; Dhital, Chetan/0000-0001-8125-6048 FU BC start-up fund; US NSF [DMR-1454926, DMR-1056625]; NSF Graduate Research Fellowship [GRFP-5100141]; DOE [DE-SC0002554, DE-FG02-99ER45747]; W. M. Keck Foundation; DOE, BES [DE-FG02-07ER46352]; NERSC through DOE [DE-AC02-05CH11231]; US DOE BES [DE-AC02-05CH11231, DE-AC02-76SF00515] FX We thank K. S. Burch, T-R. Chang, Y-H. Chu, A. Fujimori, Z. Hussain, S. A. Kivelson, H. Lin, V. Madhavan, Z-X. Shen, Q. Si, C. M. Varma, Z-Y. Weng, H. Yao and X. J. Zhou for discussions, and K. Tanaka for measuring sample work functions at UVSOR, Japan. The work at Boston College was supported by a BC start-up fund (J.H., R-H.H.), the US NSF CAREER Awards DMR-1454926 (R-H.H., in part) and DMR-1056625 (T.H., C.D., X.C., S.D.W.), NSF Graduate Research Fellowship GRFP-5100141 (T.R.M.), DOE DE-SC0002554 and DE-FG02-99ER45747 (Z.W.) and the W. M. Keck Foundation (M.J.N.). The work at Northeastern University (NU) was supported by the DOE, BES Contract No. DE-FG02-07ER46352, and benefited from NU's ASCC and the allocation of supercomputer time at NERSC through DOE grant DE-AC02-05CH11231. Photoemission experiments were performed at the SSRL and ALS, supported respectively by the US DOE BES Contract Nos. DE-AC02-76SF00515 and DE-AC02-05CH11231, at HSRC and SPring-8 (preliminary) with the approval of Proposal Nos 14-A-1 and 2014B1501. NR 33 TC 13 Z9 13 U1 4 U2 49 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 2015 VL 14 IS 6 BP 577 EP U54 DI 10.1038/NMAT4273 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA CI5MP UT WOS:000354801500019 PM 25915033 ER PT J AU Wang, JW Zeng, Z Weinberger, CR Zhang, Z Zhu, T Mao, SX AF Wang, Jiangwei Zeng, Zhi Weinberger, Christopher R. Zhang, Ze Zhu, Ting Mao, Scott X. TI In situ atomic-scale observation of twinning-dominated deformation in nanoscale body-centred cubic tungsten SO NATURE MATERIALS LA English DT Article ID SINGLE-CRYSTALS; DISLOCATION; NANOWIRES; STRENGTH; TRANSITION; PLASTICITY; METALS; MOLYBDENUM; TANTALUM; BEHAVIOR AB Twinning is a fundamental deformation mode that competes against dislocation slip in crystalline solids. In metallic nanostructures, plastic deformation requires higher stresses than those needed in their bulk counterparts, resulting in the 'smaller is stronger' phenomenon. Such high stresses are thought to favour twinning over dislocation slip. Deformation twinning has been well documented in face-centred cubic (FCC) nanoscale crystals. However, it remains unexplored in body-centred cubic (BCC) nanoscale crystals. Here, by using in situ high-resolution transmission electron microscopy and atomistic simulations, we show that twinning is the dominant deformation mechanism in nanoscale crystals of BCC tungsten. Such deformation twinning is pseudoelastic, manifested through reversible detwinning during unloading. We find that the competition between twinning and dislocation slip can be mediated by loading orientation, which is attributed to the competing nucleation mechanism of defects in nanoscale BCC crystals. Our work provides direct observations of deformation twinning as well as new insights into the deformation mechanism in BCC nanostructures. C1 [Wang, Jiangwei; Mao, Scott X.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Zeng, Zhi; Zhu, Ting] Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Weinberger, Christopher R.] Sandia Natl Labs, Mat Sci & Engn Ctr, Albuquerque, NM 87185 USA. [Weinberger, Christopher R.] Drexel Univ, Dept Mech Engn & Mech, Philadelphia, PA 19104 USA. [Zhang, Ze; Mao, Scott X.] Zhejiang Univ, Dept Mat Sci & Engn, Hangzhou 310027, Zhejiang, Peoples R China. [Zhang, Ze; Mao, Scott X.] Zhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Zhejiang, Peoples R China. [Zhu, Ting] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. RP Weinberger, CR (reprint author), Sandia Natl Labs, Mat Sci & Engn Ctr, POB 5800, Albuquerque, NM 87185 USA. EM cweinberger@coe.drexel.edu; ting.zhu@me.gatech.edu; sxm2@pitt.edu RI Wang, Jiangwei/F-8249-2011; Zhu, Ting/A-2206-2009; Zeng, Zhi/E-4072-2017 OI Wang, Jiangwei/0000-0003-1191-0782; Zeng, Zhi/0000-0003-0159-5969 FU NSF through University of Pittsburgh [CMMI 08 010934]; Sandia National Lab; DOE NEUP [DE-AC07-05ID14517]; NSF [DMR-1410331]; HPC resources in CAS Shenyang Supercomputing Centre; Sandia Corporation (a wholly owned subsidiary of Lockheed Martin Corporation) under its US Department of Energy [DE-AC04-94AL85000] FX S.X.M. acknowledges the support from NSF CMMI 08 010934 through University of Pittsburgh and Sandia National Lab. T.Z. acknowledges the support from DOE NEUP Grant DE-AC07-05ID14517, NSF grant DMR-1410331, and HPC resources in CAS Shenyang Supercomputing Centre. This work was performed, in part, at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility. This research was supported in part by an appointment to the Sandia National Laboratories Truman Fellowship in National Security Science and Engineering, sponsored by Sandia Corporation (a wholly owned subsidiary of Lockheed Martin Corporation) as Operator of Sandia National Laboratories under its US Department of Energy Contract No. DE-AC04-94AL85000. The authors are grateful to W. Cai of Stanford University, J. Li of Massachusetts Institute of Technology and J. Y. Huang for stimulating discussions. NR 49 TC 30 Z9 30 U1 28 U2 163 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 2015 VL 14 IS 6 BP 594 EP 600 DI 10.1038/NMAT4228 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA CI5MP UT WOS:000354801500022 PM 25751073 ER PT J AU Hossain, A Gu, GD Bolotnikov, AE Camarda, GS Cui, Y Roy, UN Yang, G Liu, T Zhong, R Schneeloch, J James, RB AF Hossain, A. Gu, G. D. Bolotnikov, A. E. Camarda, G. S. Cui, Y. Roy, U. N. Yang, G. Liu, T. Zhong, R. Schneeloch, J. James, R. B. TI Material and detector properties of cadmium manganese telluride (Cd1-xMnxTe) crystals grown by the modified floating-zone method SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE CdMnTe; Te inclusions; Dislocations; IR transmission; Spectral response; Mobility-lifetime product ID GAMMA-RAY DETECTORS; TE AB We demonstrated the material- and radiation-detection properties of cadmium manganese telluride (Cd1-xMnxTe; x=0.06), a wide-band-gap semiconductor crystal grown by the modified floating-zone method. We investigated the presence of various bulk defects, such as Te inclusions, twins, and dislocations of several as-grown indium-doped Cd1-xMnxTe crystals using different techniques, viz., IR transmission microscopy, and chemical etching. We then fabricated four planar detectors from selected CdMnTe crystals, characterized their electrical properties, and tested their performance as room-temperature X- and gamma-ray detectors. Our experimental results show that CMT crystals grown by the modified floating zone method apparently are free from Te inclusions. However, we still need to optimize our growth parameters to attain high-resistivity, large-volume single-crystal CdMnTe. (C) 2015 Elsevier B.V. All rights reserved. C1 [Hossain, A.; Gu, G. D.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Roy, U. N.; Yang, G.; Liu, T.; Zhong, R.; Schneeloch, J.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Hossain, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM hossain@bnl.gov RI Zhong, Ruidan/D-5296-2013 OI Zhong, Ruidan/0000-0003-1652-9454 NR 11 TC 1 Z9 1 U1 5 U2 18 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 2015 VL 784 BP 33 EP 36 DI 10.1016/j.nima.2014.12.060 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300008 ER PT J AU Egarievwe, SU Yang, G Egarievwe, AA Okwechime, IO Gray, J Hales, ZM Hossain, A Camarda, GS Bolotnikov, AE James, RB AF Egarievwe, Stephen U. Yang, Ge Egarievwe, Alexander A. Okwechime, Ifechukwude O. Gray, Justin Hales, Zaveon M. Hossain, Anwar Camarda, Giuseppe S. Bolotnikov, Aleksey E. James, Ralph B. TI Post-growth annealing of Bridgman-grown CdZnTe and CdMnTe crystals for room-temperature nuclear radiation detectors SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE CdZnTe and CdMnTe; Nuclear radiation detectors; Te inclusions; Thermal annealing in Cd vapor; Te diffusion and migration; Temperature gradient annealing AB Bridgman-grown cadmium zinc telluride (CdZnTe or CZT) and cadmium manganese telluride (CdMnTe or CMT) crystals often have Te inclusions that limit their performances as X-ray- and gamma-ray-detectors. We present here the results of post-growth thermal annealing aimed at reducing and eliminating Te inclusions in them. In a 2D analysis, we observed that the sizes of the Te inclusions declined to 92% during a 60-h annealing of CZT at 510 degrees C under Cd vapor. Further, tellurium inclusions were eliminated completely in CMT samples annealed at 570 degrees C in Cd vapor for 26 h, whilst their electrical resistivity fell by an order of 10(2). During the temperature-gradient annealing of CMT at 730 degrees C and an 18 degrees C/cm temperature gradient for 18 h in a vacuum of 10(-5) mbar, we observed the diffusion of Te from the sample, so causing a reduction in size of the Te inclusions. For CZT samples annealed at 700 degrees C in a 10 degrees C/cm temperature gradient, we observed the migration of Te inclusions from a low-temperature region to a high one at 0.022 mu m/s. During the temperature-gradient annealing of CZT in a vacuum of 10(-5) mbar at 570 degrees C and 30 degrees C/cm for 18 h, some Te inclusions moved toward the high-temperature side of the wafer, while other inclusions of the same size, i.e., 10 mu m in diameter, remained in the same position. These results show that the migration, diffusion, and reaction of Te with Cd in the matrix of CZT- and CMT-wafers are complex phenomena that depend on the conditions in local regions, such as composition and structure, as well as on the annealing conditions. (C) 2015 Elsevier B.V. All rights reserved. C1 [Egarievwe, Stephen U.; Egarievwe, Alexander A.; Okwechime, Ifechukwude O.; Gray, Justin; Hales, Zaveon M.] Alabama A&M Univ, Nucl Engn & Radiol Sci Ctr, Normal, AL 35762 USA. [Egarievwe, Stephen U.; Yang, Ge; Hossain, Anwar; Camarda, Giuseppe S.; Bolotnikov, Aleksey E.; James, Ralph B.] Brookhaven Natl Lab, Nonproliferat & Nat Secur Dept, Upton, NY 11973 USA. RP Egarievwe, SU (reprint author), Alabama A&M Univ, Nucl Engn & Radiol Sci Ctr, Normal, AL 35762 USA. NR 16 TC 4 Z9 4 U1 4 U2 29 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 2015 VL 784 BP 51 EP 55 DI 10.1016/j.nima.2015.02.006 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300011 ER PT J AU Ball, R Ben-Moshe, M Benhammou, Y Bensimon, R Chapman, JW Davies, M Etzion, E Ferretti, C Friedman, PS Levin, DS Silver, Y Varner, RL Weaverdyck, C Zhou, B AF Ball, R. Ben-Moshe, M. Benhammou, Y. Bensimon, R. Chapman, J. W. Davies, M. Etzion, E. Ferretti, C. Friedman, P. S. Levin, D. S. Silver, Y. Varner, R. L. Weaverdyck, C. Zhou, B. TI First results with a microcavity plasma panel detector SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Micropattern gas detector; Particle detector; Plasma panel sensor AB A new type of gaseous micropattern particle detector based on a closed-cell microcavity plasma panel sensor is reported. The first device was fabricated with 1 x 1 x 2 mm cells. It has shown very clean signals of 0.6-2.5 V amplitude, fast rise time of approximately 2 ns and FWHM of about 2 ns with very uniform signal shapes across all pixels. From initial measurements with beta particles from a radioactive source, a maximum pixel efficiency greater than 95% is calculated, for operation of the detector over a 100 V wide span of high voltages (HV). Over this same HV range, the background rate per pixel was measured to be 3-4 orders of magnitude lower than the rate with which the cell was illuminated by the beta source. Pixel-to-pixel count rate uniformity is within 3% and stable within 3% for many days. The time resolution is 2.4 ns, and a very low cell-to-cell crosstalk has been measured between cells separated by 2 mm. (C) 2014 Elsevier B.V. All rights reserved. C1 [Ball, R.; Chapman, J. W.; Ferretti, C.; Levin, D. S.; Weaverdyck, C.; Zhou, B.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Varner, R. L.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Ben-Moshe, M.; Benhammou, Y.; Bensimon, R.; Davies, M.; Etzion, E.; Silver, Y.] Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Friedman, P. S.] Integrated Sensors LLC, Ottawa Hills, OH 43606 USA. RP Ferretti, C (reprint author), Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. EM claudiof@umich.edu NR 5 TC 0 Z9 0 U1 2 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2015 VL 784 BP 56 EP 59 DI 10.1016/j.nima.2014.11.028 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300012 ER PT J AU Budden, BS Stonehill, LC Dallmann, N Bagiuski, MJ Best, DJ Smith, MB Graham, SA Dathy, C Frank, JM McClish, M AF Budden, B. S. Stonehill, L. C. Dallmann, N. Bagiuski, M. J. Best, D. J. Smith, M. B. Graham, S. A. Dathy, C. Frank, J. M. McClish, M. TI A Cs2LiYCl6:Ce-based advanced radiation monitoring device SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE CLYC; Gamma ray; Handheld; Neutron; Radiation detection; Radioisotope identification ID SCINTILLATION PROPERTIES; CRYSTALS AB Cs2LiYCl6:Ce3+ (CLYC) scintillator has gained recent interest because of its ability to perform simultaneous gamma spectroscopy and thermal neutron detection. Discrimination between the two incident particle types owes to the fundamentally unique emission waveforms, a consequence of the interaction and subsequent scintillation mechanisms within the crystal. Due to this dual-mode detector capability, CLYC was selected for the development of an Advanced Radiation Monitoring Device (ARMD), a compact handheld instrument for radioisotope identification and localization. ARMD consists of four 1 in.-right cylindrical CLYC crystals, custom readout electronics including a suitable multi-window application specific integrated circuit (ASIC), battery pack, proprietary software, and Android-based tablet for high-level analysis and display. We herein describe the motivation of the work and engineering design of the unit, and we explain the software embedded in the core module and for radioisotope analysis. We report an operational range of tens of keV to 8.5 MeV with approximately 5.3% gamma energy resolution at 662 key, thermal neutron detection efficiency of 10%, battery lifetime of up to 10 h, manageable rates of 20 kHz; further, we describe in greater detail time to identify specific gamma source setups. (C) 2014 Elsevier B.V. All rights reserved. C1 [Budden, B. S.; Stonehill, L. C.; Dallmann, N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Bagiuski, M. J.; Best, D. J.] SCI Technol Inc, Huntsville, AL 35803 USA. [Smith, M. B.; Graham, S. A.] Bubble Technol Ind, Chalk River, ON K0J 1J0, Canada. [Dathy, C.; Frank, J. M.] St Gobain Crystals, Hiram, OH 44234 USA. [McClish, M.] Radiat Monitoring Devices Inc, Watertown, MA 02472 USA. RP Stonehill, LC (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM lauracs@lanl.gov OI Smith, Martin/0000-0003-0834-1574 NR 12 TC 3 Z9 3 U1 6 U2 16 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 2015 VL 784 BP 97 EP 104 DI 10.1016/j.nima.2014.11.051 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300019 ER PT J AU Croce, MP Bond, EM Hoover, AS Kunde, GJ Mocko, V Rabin, MW Weisse-Bernstein, NR Wolfsberg, LE Bennett, DA Hays-Wehle, J Schmidt, DR Ullom, JN AF Croce, M. P. Bond, E. M. Hoover, A. S. Kunde, G. J. Mocko, V. Rabin, M. W. Weisse-Bernstein, N. R. Wolfsberg, L. E. Bennett, D. A. Hays-Wehle, J. Schmidt, D. R. Ullom, J. N. TI Microcalorimeter Q-spectroscopy for rapid isotopic analysis of trace actinide samples SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Microcalorimeter; Q spectroscopy; Nuclear forensics AB We are developing superconducting transition-edge sensor (TES) microcalorimeters that are optimized for rapid isotopic analysis of trace actinide samples by Q-spectroscopy. By designing mechanically robust TESs and simplified detector assembly methods, we have developed a detector for Q-spectroscopy of actinides that can be assembled in minutes. We have characterized the effects of each simplification and present the results. Finally, we show results of isotopic analysis of plutonium samples with Q-spectroscopy detectors and compare the results to mass spectrometry. (C) 2014 Elsevier B.V. All rights reserved. C1 [Croce, M. P.; Bond, E. M.; Hoover, A. S.; Kunde, G. J.; Mocko, V.; Rabin, M. W.; Weisse-Bernstein, N. R.; Wolfsberg, L. E.] Los Alamos Natl Lab, Los Alamos, NM USA. [Bennett, D. A.; Hays-Wehle, J.; Schmidt, D. R.; Ullom, J. N.] NIST, Boulder, CO USA. RP Croce, MP (reprint author), POB 1663,MS E540, Los Alamos, NM 87545 USA. EM mperoce@lanl.gov NR 9 TC 0 Z9 0 U1 1 U2 11 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 2015 VL 784 BP 151 EP 155 DI 10.1016/j.nima.2014.12.059 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300029 ER PT J AU Kouzes, RT Lintereur, AT Siciliano, ER AF Kouzes, Richard T. Lintereur, Azaree T. Siciliano, Edward R. TI Progress in alternative neutron detection to address the helium-3 shortage SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Neutron detection; Helium-3; 3He; Alternative neutron detectors ID SCINTILLATOR; FLUX AB One of the main uses for He-3 is in gas proportional counters for neutron detection. Such detectors are used at neutron scattering science facilities and in radiation portal monitors deployed for homeland security and non-proliferation applications. Other uses of He-3 are for research detectors, commercial instruments, well logging detectors, dilution refrigerators, lung imaging, for targets in nuclear research, and for basic research in condensed matter physics. The supply of He-3 comes entirely from the decay of tritium produced for nuclear weapons in the U.S. and Russia. Due to the large increase in use of He-3 for science and homeland security (since 2002), the supply could no longer meet the demand. This has led to the development of a number of alternative neutron detection schemes. (C) 2014 Elsevier B.V. All rights reserved. C1 [Kouzes, Richard T.; Lintereur, Azaree T.; Siciliano, Edward R.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kouzes, RT (reprint author), Pacific NW Natl Lab, MS K7-36,POB 999, Richland, WA 99352 USA. EM rkouzes@pnl.gov NR 36 TC 8 Z9 8 U1 6 U2 14 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 2015 VL 784 BP 172 EP 175 DI 10.1016/j.nima.2014.10.046 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300033 ER PT J AU Ianakiev, KD Hehlen, MP Swinhoe, MT Favalli, A Iliev, ML Lin, TC Bennett, BL Barker, MT AF Ianakiev, K. D. Hehlen, M. P. Swinhoe, M. T. Favalli, A. Iliev, M. L. Lin, T. C. Bennett, B. L. Barker, M. T. TI Neutron detector based on Particles of Li-6 glass scintillator dispersed in organic lightguide matrix SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Neutron detectors; Li-6 glass; Neutron/gamma separation; He-3 replacement; Nuclear safeguards; Neutron coincidence counters AB Most He-3 replacement neutron detector technologies today have overlapping neutron-gamma pulse-height distributions, which limits their usefulness and performance. Different techniques are used to mitigate this shortcoming, including Pulse Shape Discrimination (PSD) or threshold settings that suppress all gammas as well as much of the neutrons. As a result, count rates are limited and dead times are high when PSD is used, and the detection efficiency for neutron events is reduced due to the high threshold. This is a problem in most applications where the neutron-gamma separation of He-3 detectors had been essential. This challenge is especially severe for neutron coincidence and multiplicity measurements that have numerous conflicting requirements such as high detection efficiency, short die-away time, short dead time, and high stability. Li-6-glass scintillators have excellent light output and a single peak distribution, but they are difficult to implement because of their gamma sensitivity. The idea of reducing the gamma sensitivity of Li-6-glass scintillators by embedding small glass particles in an organic light-guide medium was first presented by LM. Bollinger in the early 60s but, to the best of our knowledge, has never been reduced to practice. We present a proof of principle detector design and experimental data that develop this concept to a large-area neutron detector. This is achieved by using a multi-component optical medium (Li-6 glass particles attached to a glass supporting structure and a mineral oil light guide) which matches the indices of refraction and minimizes the absorption of the 395 nm scintillator light. The detector design comprises a 10 in. long tube with dual end readout with about 3% volume density of Li-6 glass particles installed. The presented experimental data with various neutron and gamma sources show the desired wide gap between the neutron and gamma pulse height distributions, resulting in a true plateau in the counting characteristics similar to that of He-3 detectors. Published by Elsevier B.V. C1 [Ianakiev, K. D.; Hehlen, M. P.; Swinhoe, M. T.; Favalli, A.; Iliev, M. L.; Lin, T. C.; Bennett, B. L.; Barker, M. T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Ianakiev, KD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM ianakiev@lanl.gov OI Ianakiev, Kiril/0000-0002-5074-0715 NR 15 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 2015 VL 784 BP 189 EP 193 DI 10.1016/j.nima.2014.10.073 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300036 ER PT J AU Stave, S Bliss, M Kouzes, R Lintereur, A Robinson, S Siciliano, E Wood, L AF Stave, Sean Bliss, Mary Kouzes, Richard Lintereur, Azaree Robinson, Sean Siciliano, Edward Wood, Lynn TI LiF/ZnS neutron multiplicity counter SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE LiF/ZnS; Neutron multiplicity counter; Safeguards; He-3 alternatives AB The availability of He-3 in recent years is becoming restricted with an order of magnitude price increase for this material. Alternatives to the use of He-3 for the detection of thermal neutrons are under investigation. One of the most challenging applications for He-3 alternatives is in neutron multiplicity counters that provide rapid assay of samples which contain an unknown amount of plutonium in a potentially unknown configuration. With appropriate detector design that has minimal gamma-ray sensitivity and a high detection efficiency even for triple coincidence events, the neutron single, double, and triple coincidence events can be used to extract three unknown parameters such as the Pu-240-effective mass, the sample self-multiplication, and the (a,n) rate. This project is aimed at determining if commercially available He-3 alternatives can satisfy this challenging application. Using MCNP modeling the best alternative identified used LiF/ZnS neutron-scintillator sheets and wavelength shifting plastic for light pipes. A four-panel demonstrator module has been constructed, tested, and compared with detailed modeling results. However, to attain that desired high-level of performance two primary design challenges must be addressed. They include building a fast electronics system and robust neutron/gamma-ray discrimination based on pulse shape analysis at high rates.,A review of the current effort and the most recent findings will be presented. (C) 2015 Elsevier B.V. All rights reserved. C1 [Stave, Sean; Bliss, Mary; Kouzes, Richard; Lintereur, Azaree; Robinson, Sean; Siciliano, Edward; Wood, Lynn] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Stave, S (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM sean.stave@pnnl.gov RI Bliss, Mary/G-2240-2012 OI Bliss, Mary/0000-0002-7565-4813 NR 8 TC 0 Z9 0 U1 3 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2015 VL 784 BP 208 EP 212 DI 10.1016/j.nima.2015.01.039 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300040 ER PT J AU Warburton, WK Harris, JT Friedrich, S AF Warburton, W. K. Harris, J. T. Friedrich, S. TI High density processing electronics for superconducting tunnel junction x-ray detector arrays SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Superconducting tunnel junctions; Preamplifier; Spectrometry; Detector electronics ID SPECTROMETERS; PREAMPLIFIERS; PERFORMANCE AB Superconducting tunnel junctions (STJs) are excellent soft x-ray (100-2000 eV) detectors, particularly for synchrotron applications, because of their ability to obtain energy resolutions below 10 eV at count rates approaching 10 kcps. In order to achieve useful solid detection angles with these very small detectors, they are typically deployed in large arrays - currently with 100+ elements, but with 1000 elements being contemplated. In this paper we review a 5-year effort to develop compact, computer controlled low-noise processing electronics for STJ detector arrays, focusing on the major issues encountered and our solutions to them. Of particular interest are our preamplifier design, which can set the STJ operating points under computer control and achieve 2.7 eV energy resolution; our low noise power supply, which produces only 2' nV/root Hz noise at the preamplifier's critical cascode node; our digital processing card that digitizes and digitally processes 32 channels; and an STJ I-V curve scanning algorithm that computes noise as a function of offset voltage, allowing an optimum operating point to be easily selected. With 32 preamplifiers laid out on a custom 3U EuroCard, and the 32 channel digital card in a 3U PXI card format, electronics for a 128 channel array occupy only two small chassis, each the size of a National Instruments 5-slot PXI crate, and allow full array control with simple extensions of existing beam line data collection packages. (C) 2015 Elsevier B.V. All rights reserved. C1 [Warburton, W. K.; Harris, J. T.] XIA LLC, Hayward, CA 94544 USA. [Friedrich, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Warburton, WK (reprint author), XIA LLC, 31057 Genstar Rd, Hayward, CA 94544 USA. EM bill@xia.com NR 13 TC 1 Z9 1 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2015 VL 784 BP 236 EP 241 DI 10.1016/j.nima.2015.02.004 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300045 ER PT J AU Xie, JQ Byrum, K Demarteau, M Gregar, J May, E Virgo, M Wagner, R Walters, D Wang, JB Xia, L Zhao, HY AF Xie, Junqi Byrum, Karen Demarteau, Marcel Gregar, Joseph May, Edward Virgo, Mathew Wagner, Robert Walters, Dean Wang, Jingbo Xia, Lei Zhao, Huyue CA LAPPD Collaboration TI Design and fabrication of prototype 6 x 6 cm(2) microchannel plate photodetector with bialkali photocathode for fast timing applications SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Microchannel plate; Photodetector; Bialkali photocathode; Effusion cells; Uniformity; Time resolution; Differential time resolution; Spatial resolution AB Planar microchannel plate-based photodetectors with a bialkali photocathode are able to achieve photon detection with very good time and position resolution. A 6 x 6 cm(2) photodetector production facility was designed and built at Argonne National Laboratory. Small form-factor MCP-based photodetectors completely constructed out of glass were designed and prototypes were successfully fabricated. Knudsen effusion cells were incorporated in the photocathode growth chamber to achieve uniform and high quantum efficiency photocathodes. The thin film uniformity was simulated and measured for an antimony film deposition, showing uniformity of better than 10%. Several prototype devices with bialkali photocathodes have been fabricated with the described system and their characteristics were evaluated in the large signal (multi-PE) limit A typical prototype device exhibits time-of-flight resolution of similar to 27 psec and differential time resolution of 9 psec, corresponding to spatial resolution of similar to 0.65 mm. (C) 2014 Elsevier B.V. All rights reserved. C1 [Xie, Junqi; Byrum, Karen; Demarteau, Marcel; Gregar, Joseph; May, Edward; Virgo, Mathew; Wagner, Robert; Walters, Dean; Wang, Jingbo; Xia, Lei; Zhao, Huyue] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. RP Xie, JQ (reprint author), Argonne Natl Lab, Div High Energy Phys, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jxie@anl.gov NR 19 TC 2 Z9 2 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2015 VL 784 BP 242 EP 247 DI 10.1016/j.nima.2014.10.050 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300046 ER PT J AU Wright, MC Hertz, KL Johnson, WC Sword, ED Younkin, JR Sadler, LE AF Wright, Michael C. Hertz, Kristin L. Johnson, William C. Sword, Eric D. Younkin, James R. Sadler, Lorraine E. TI Feasibility and demonstration of a cloud-based RIID analysis system SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Radiation detection; Gamma-ray spectroscopy; Isotope identification; Cloud computing AB A significant limitation in the operational utility of handheld and backpack radioisotope identifiers (RIIDs) is the inability of their onboard algorithms to accurately and reliably identify the isotopic sources of the measured gamma-ray energy spectrum. A possible solution is to move the spectral analysis computations to an external device, the cloud, where significantly greater capabilities are available. The implementation and demonstration of a prototype cloud-based RIID analysis system have shown this type of system to be feasible with currently available communication and computational technology. A system study has shown that the potential user community could derive significant benefits from an appropriately implemented cloud-based analysis system and has identified the design and operational characteristics required by the users and stakeholders for such a system. A general description of the hardware and software necessary to implement reliable cloud-based analysis, the value of the cloud expressed by the user community, and the aspects of the cloud implemented in the demonstrations are discussed. (C) 2014 Elsevier B.V. All rights reserved. C1 [Wright, Michael C.; Sword, Eric D.; Younkin, James R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Hertz, Kristin L.; Johnson, William C.; Sadler, Lorraine E.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Wright, MC (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM wrightmc@ornl.gov NR 5 TC 0 Z9 0 U1 1 U2 2 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 2015 VL 784 BP 281 EP 286 DI 10.1016/j.nima.2014.11.011 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300053 ER PT J AU Kulisek, JA Schweppe, JE Stave, SC Bernacki, BE Jordan, DV Stewart, TN Seifert, CE Kernan, WJ AF Kulisek, J. A. Schweppe, J. E. Stave, S. C. Bernacki, B. E. Jordan, D. V. Stewart, T. N. Seifert, C. E. Kernan, W. J. TI Real-time airborne gamma-ray background estimation using NASVD with MLE and radiation transport for calibration SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Background estimation; Aerial search; Radiological search; Gamma detection; Noise-adjusted singular value decomposition; Maximum likelihood estimation ID SPECTROMETRY; SPECTRA AB Helicopter-mounted gamma-ray detectors can provide law enforcement officials the means to quickly and accurately detect, identify, and locate radiological threats over a wide geographical area. The ability to accurately distinguish radiological threat-generated gamma-ray signatures from background gamma radiation in real time is essential in order to realize this potential. This problem is non-trivial, especially in urban environments for which the background may change very rapidly during flight. This exacerbates the challenge of estimating background due to the poor counting statistics inherent in real-time airborne gamma-ray spectroscopy measurements. To address this challenge, we have developed a new technique for real-time estimation of background gamma radiation from aerial measurements without the need for human analyst intervention. The method can be calibrated using radiation transport simulations along with data from previous flights over areas for which the isotopic composition need not be known. Over the examined measured and simulated data sets, the method generated accurate background estimates even in the presence of a strong, Co-60 source. The potential to track large and abrupt changes in background spectral shape and magnitude was demonstrated. The method can be implemented fairly easily in most modern computing languages and environments. (C) 2014 Elsevier B.V. All rights reserved. C1 [Kulisek, J. A.; Schweppe, J. E.; Stave, S. C.; Bernacki, B. E.; Jordan, D. V.; Stewart, T. N.; Seifert, C. E.; Kernan, W. J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kulisek, JA (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Jonathan.Kulisek@pnnl.gov NR 14 TC 0 Z9 0 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2015 VL 784 BP 287 EP 292 DI 10.1016/j.nima.2014.11.110 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300054 ER PT J AU Robinson, SM Stave, S Lintereur, A Siciliano, E Kouzes, R Bliss, M AF Robinson, Sean M. Stave, Sean Lintereur, Azaree Siciliano, Edward Kouzes, Richard Bliss, Mary TI Neutron pileup algorithms for multiplicity counters SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Multiplicity counters; LiF/ZnS; He-3 replacement; Pulse Shape Discrimination ID SCINTILLATORS AB The shortage of helium-3 (He-3) has created a need to identify alternative neutron detection options for a variety of nuclear nonproliferation applications. One application that may be affected by He-3 replacement technology is that of mass accountancy for safeguards, which utilizes coincidence and multiplicity counters to verify special nuclear material declarations. The use of neutron scintillation materials, such as LiF-ZnS sheets, as an alternative to He-3 proportional tubes in multiplicity counters requires novel techniques for Pulse Shape Discrimination to distinguish between neutrons and gamma rays. These techniques must work under high count rates, as the maximum momentary rate for incoming neutrons from multiplicity events can be quite large. We have created a fast and accurate neutron discrimination algorithm based on time window filtering and signature comparison that can operate quickly on data with high degrees of gamma ray and neutron pileup. This algorithm is evaluated for its capability to separate signals as the pileup rate increases, and the possibility for implementation on fast hardware (e.g., FPGA hardware) for real-time operation is explored. (C) 2014 Elsevier B.V. All rights reserved. C1 [Robinson, Sean M.] Pacific NW Natl Lab, Seattle, WA 98109 USA. [Stave, Sean; Lintereur, Azaree; Siciliano, Edward; Kouzes, Richard; Bliss, Mary] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Robinson, SM (reprint author), Pacific NW Natl Lab, Seattle, WA 98109 USA. EM sean.robinson@pnnl.gov RI Bliss, Mary/G-2240-2012 OI Bliss, Mary/0000-0002-7565-4813 NR 8 TC 0 Z9 0 U1 1 U2 2 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 2015 VL 784 BP 293 EP 297 DI 10.1016/j.nima.2014.11.112 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300055 ER PT J AU Penny, RD Crowley, TM Gardner, BM Mandell, MJ Guo, Y Haas, EB Knize, DJ Kuharski, RA Ranta, D Shyffer, R Labov, S Nelson, K Seilhan, B Valentine, JD AF Penny, Robert D. Crowley, Tanya M. Gardner, Barbara M. Mandell, Myron J. Guo, Yanlin Haas, Eric B. Knize, Duane J. Kuharski, Robert A. Ranta, Dale Shyffer, Ryan Labov, Simon Nelson, Karl Seilhan, Brandon Valentine, John D. TI Improved radiological/nuclear source localization in variable NORM background: An MLEM approach with segmentation data SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Gamma radiation; Radiation detection; Radiation imaging; Maximum-likelihood expectation-maximization; Active-mask imaging; Compton imaging AB A novel approach and algorithm have been developed to rapidly detect and localize both moving and static radiological/nuclear (R/N) sources from an airborne platform. Current aerial systems with radiological sensors are limited in their ability to compensate for variable naturally occurring radioactive material (NORM) background. The proposed approach suppresses the effects of NORM background by incorporating additional information to segment the survey area into regions over which the background is likely to be uniform. The method produces pixelated Source Activity Maps (SAMs) of both target and background radionuclide activity over the survey area. The task of producing the SAMs requires (1) the development of a forward model which describes the transformation of radionuclide activity to detector measurements and (2) the solution of the associated inverse problem. The inverse problem is ill-posed as there are typically fewer measurements than unknowns. In addition the measurements are subject to Poisson statistical noise. The Maximum-Likelihood Expectation-Maximization (MLEM) algorithm is used to solve the inverse problem as it is well suited for under-determined problems corrupted by Poisson noise. A priori terrain information is incorporated to segment the reconstruction space into regions within which we constrain NORM background activity to be uniform. Descriptions of the algorithm and examples of performance with and without segmentation on simulated data are presented. (C) 2015 Elsevier B.V. All rights reserved. C1 [Penny, Robert D.; Crowley, Tanya M.; Gardner, Barbara M.; Mandell, Myron J.; Guo, Yanlin; Haas, Eric B.; Knize, Duane J.; Kuharski, Robert A.; Ranta, Dale; Shyffer, Ryan] Lidos Inc, San Diego, CA 92117 USA. [Labov, Simon; Nelson, Karl; Seilhan, Brandon] Lawrence Livermore Natl Lab, Livermore, CA USA. [Valentine, John D.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Penny, RD (reprint author), Lidos Inc, 10260 Campus Point Rd, San Diego, CA 92117 USA. EM robert.d.penny@leidos.com NR 5 TC 0 Z9 0 U1 0 U2 6 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 2015 VL 784 BP 319 EP 325 DI 10.1016/j.nima.2015.01.025 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300059 ER PT J AU Rao, NSV Sen, S Prins, NJ Cooper, DA Ledoux, RJ Costales, JB Kamieniecki, K Korbly, SE Thompson, JK Batcheler, J Brooks, RR Wu, CQ AF Rao, Nageswara S. V. Sen, Satyabrata Prins, Nicholas J. Cooper, Daniel A. Ledoux, Robert J. Costales, James B. Kamieniecki, Krzysztof Korbly, Steven E. Thompson, Jeffrey K. Batcheler, James Brooks, Richard R. Wu, Chase Q. TI Network algorithms for detection of radiation sources SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Detection networks; Particle filters; Border monitoring AB Networks of radiation counters have been recently developed for detecting low-level, hazardous radiation sources, and they have been utilized in indoor and outdoor characterization tests. Subsequently, the test measurements have been "replayed" using multiple sub-networks, which enabled the analysis of various scenarios beyond the tests. We present a particle filter algorithm that combines measurements from gamma counters across the network to detect radiation sources. Using replays from an outdoor test, we construct a border monitoring scenario that consists of twelve 2 in. x 2 in. NaI detectors or counters deployed on the periphery to monitor a 42 x 42 m(2) region. A Cs-137 source is moved across this region, starting several meters outside and finally moving away from it The measurements from individual, pairs and boundary detectors are replayed using the particle filter algorithm. The algorithm outputs demonstrate, both quantitatively and qualitatively, the benefits of networking all boundary counters: the source is detected meters before it enters the region, while being inside, and until moving several meters away. On the other hand, when counters are used individually or in pairs, the source is detected for much shorter durations, and sometimes not detected at all while inside the region. (C) 2015 Elsevier B.V. All rights reserved. C1 [Rao, Nageswara S. V.; Sen, Satyabrata; Prins, Nicholas J.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Cooper, Daniel A.; Ledoux, Robert J.; Costales, James B.; Kamieniecki, Krzysztof; Korbly, Steven E.; Thompson, Jeffrey K.; Batcheler, James] Passport Syst Inc, Billerica, MA 01862 USA. [Brooks, Richard R.] Clemson Univ, Dept Elect & Comp Engn, Clemson, SC 29634 USA. [Wu, Chase Q.] Univ Memphis, Dept Comp Sci, Memphis, TN 38152 USA. RP Rao, NSV (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. OI Rao, Nageswara/0000-0002-3408-5941; Sen, Satyabrata/0000-0001-9918-4409 NR 5 TC 3 Z9 3 U1 0 U2 0 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 2015 VL 784 BP 326 EP 331 DI 10.1016/j.nima.2015.01.037 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300060 ER PT J AU Miller, EA Robinson, SM Anderson, KK McCall, JD Prinke, AM Webster, JB Seifert, CE AF Miller, Erin A. Robinson, Sean M. Anderson, Kevin K. McCall, Jonathon D. Prinke, Amanda M. Webster, Jennifer B. Seifert, Carolyn E. TI Adaptively Reevaluated Bayesian Localization (ARBL): A novel technique for radiological source localization SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Aerial search; Radiological search; Gamma detection; Localization; Maximum likelihood; Bayesian ID HELICOPTER AB We present a novel technique for the localization of radiological sources in urban or rural environments from an aerial platform. The technique is based on a Bayesian approach to localization, in which measured count rates in a time series are compared with predicted count rates from a series of pre-calculated test sources to define likelihood. This technique is expanded by using a localized treatment with a limited field of view (FOV), coupled with a likelihood ratio reevaluation, allowing for real-time computation on commodity hardware for arbitrarily complex detector models and terrain. In particular, detectors with inherent asymmetry of response (such as those employing internal collimation or self-shielding for enhanced directional awareness) are leveraged by this approach to provide improved localization. Results from the localization technique are shown for simulated flight data using monolithic as well as directionally-aware detector models, and the capability of the methodology to locate radioisotopes is estimated for several test cases. This localization technique is shown to facilitate urban search by allowing quick and adaptive estimates of source location, in many cases from a single flyover near a source. In particular, this method represents a significant advancement from earlier methods like full-field Bayesian likelihood, which is not generally fast enough to allow for broad-field search in real time, and highest-net-counts estimation, which has a localization error that depends strongly on flight path and cannot generally operate without exhaustive search. (C) 2015 Elsevier B.V. All rights reserved. C1 [Miller, Erin A.; Anderson, Kevin K.; McCall, Jonathon D.; Prinke, Amanda M.; Webster, Jennifer B.; Seifert, Carolyn E.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Robinson, Sean M.] Pacific NW Natl Lab, Richland, WA 98109 USA. RP Miller, EA (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. OI Anderson, Kevin/0000-0001-5613-5893 NR 11 TC 2 Z9 2 U1 0 U2 2 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 2015 VL 784 BP 332 EP 338 DI 10.1016/j.nima.2015.01.038 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300061 ER PT J AU Detwiler, RS Pfund, DM Myjak, MJ Kulisek, JA Seifert, CE AF Detwiler, R. S. Pfund, D. M. Myjak, M. J. Kulisek, J. A. Seifert, C. E. TI Spectral anomaly methods for aerial detection using KUT nuisance rejection SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Spectral anomaly detection; RUT nuisance rejection; Aerial search; Aerial detection; Radiation detection ID RADIATION PORTAL MONITORS; GAMMA-RAY AB This work discusses the application and optimization of a spectral anomaly method for the real-time detection of gamma radiation sources from an aerial helicopter platform. Aerial detection presents several key challenges over ground-based detection. For one, larger and more rapid background fluctuations are typical due to higher speeds, larger field of view, and geographically induced background changes. As well, the possible large altitude or stand-off distance variations cause significant steps in background count rate as well as spectral changes due to increased gamma-ray scatter with detection at higher altitudes. The work here details the adaptation and optimization of the PNNL-developed algorithm Nuisance-Rejecting Spectral Comparison Ratios for Anomaly Detection (NSCRAD), a spectral anomaly method previously developed for ground-based applications, for an aerial platform. The algorithm has been optimized for two multi-detector systems; a NaI(Tl)-detector-based system and a CsI detector array. The optimization here details the adaptation of the spectral windows for a particular set of target sources to aerial detection and the tailoring for the specific detectors. As well, the methodology and results for background rejection methods optimized for the aerial gamma-ray detection using Potassium, Uranium and Thorium (RUT) nuisance rejection are shown. Results indicate that use of a realistic RUT nuisance rejection may eliminate metric rises due to background magnitude and spectral steps encountered in aerial detection due to altitude changes and geographically induced steps such as at land-water interfaces. (C) 2015 Elsevier B.V. All rights reserved. C1 [Detwiler, R. S.; Pfund, D. M.; Myjak, M. J.; Kulisek, J. A.; Seifert, C. E.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Detwiler, RS (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Rebecca.Detwiler@pnnl.gov OI Myjak, Mitchell/0000-0002-3807-3542 NR 10 TC 2 Z9 2 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2015 VL 784 BP 339 EP 345 DI 10.1016/j.nima.2015.01.040 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300062 ER PT J AU Chiu, JL Boggs, SE Chang, HK Tomsick, JA Zoglauer, A Amman, M Chang, YH Chou, Y Jean, P Kierans, C Ling, CH Lowell, A Shang, JR Tseng, CH von Ballmoos, P Yang, CY AF Chiu, J. -L. Boggs, S. E. Chang, H. -K. Tomsick, J. A. Zoglauer, A. Amman, M. Chang, Y. -H. Chou, Y. Jean, P. Kierans, C. Ling, C. -H. Lowell, A. Shang, J. -R. Tseng, C. -H. von Ballmoos, P. Yang, C. -Y. TI The upcoming balloon campaign of the Compton Spectrometer and Imager (COSI) SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Gamma-ray; Imaging spectroscopy; Compton telescope; Balloon ID BLOCKING CONTACTS; TELESCOPE; DETECTORS AB The Compton Spectrometer and Imager (COSI), formerly known as the Nuclear Compton Telescope (NC'), is a balloon-borne soft gamma-ray telescope (0.2-5 MeV) designed to study astrophysical sources of nuclear-line emission and gamma-ray polarization. The heart of COSI is a compact array of cross-strip germanium detectors (GeDs), providing excellent spectral resolution (similar to 0.2-1%) and the capability to track individual photon interactions with full 3D position resolution to 1.6 mm(3). COSI is built upon considerable heritage from the previous NCT balloon instrument, which has flown successfully on two conventional balloon flights to date. The Crab Nebula was detected at a significance of 6 sigma in the second flight, which is the first reported detection of an astrophysical source by a compact Compton telescope. COSI has been upgraded from the previous NCT instrument to be an Ultra Long Duration Balloon (ULDB) payload, utilizing a new detector configuration optimized for polarization sensitivity and employing a mechanical cryocooler to remove consumables (LN2) for ULDB flights. The instrument is being integrated for a ULDB flight in December 2014 from Antarctica on a superpressure balloon. Here we will present the redesign of the instrument and our current progress in preparing for the flight. (C) 2014 Elsevier B.V. All rights reserved. C1 [Chiu, J. -L.; Chang, H. -K.; Shang, J. -R.; Tseng, C. -H.; Yang, C. -Y.] Natl Tsing Hua Univ, Inst Astron, Hsinchu 30013, Taiwan. [Chiu, J. -L.; Boggs, S. E.; Tomsick, J. A.; Zoglauer, A.; Kierans, C.; Lowell, A.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Amman, M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Chang, Y. -H.] Natl Cent Univ, Dept Phys, Jhongli 32001, Taiwan. [Chou, Y.] Natl Cent Univ, Grad Inst Astron, Jhongli 32001, Taiwan. [Jean, P.; von Ballmoos, P.] IRAP Toulouse, Toulouse, France. [Ling, C. -H.] Acad Sinica, Inst Phys, Taipei 11529, Taiwan. RP Chiu, JL (reprint author), Univ Calif Berkeley, Space Sci Lab, 7 Gauss Way, Berkeley, CA 94720 USA. EM alanchiu@ssl.berkeley.edu RI Boggs, Steven/E-4170-2015; Chou, Yi/C-4922-2008 OI Boggs, Steven/0000-0001-9567-4224; Chou, Yi/0000-0002-8584-2092 NR 20 TC 1 Z9 1 U1 1 U2 2 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 2015 VL 784 BP 359 EP 363 DI 10.1016/j.nima.2014.11.099 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300065 ER PT J AU Fleenor, MC Blackston, MA Ziock, KP AF Fleenor, Matthew C. Blackston, Matthew A. Ziock, Klaus P. TI Correlated statistical uncertainties in coded-aperture imaging SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Coded-aperture; Uncertainties; Detection significance; Correlation ID UNIFORMLY REDUNDANT ARRAYS; CAMERAS; DESIGN AB In nuclear security applications, coded-aperture imagers can provide a wealth of information regarding the attributes of both the radioactive and nonradioactive components of the objects being imaged. However, for optimum benefit to the community, spatial attributes need to be determined in a quantitative and statistically meaningful manner. To address a deficiency of quantifiable errors in coded-aperture imaging, we present uncertainty matrices containing covariance terms between image pixels for MURA mask patterns. We calculated these correlated uncertainties as functions of variation in mask rank, mask pattern over-sampling, and whether or not anti-mask data are included. Utilizing simulated point source data, we found that correlations arose when two or more image pixels were summed. Furthermore, we found that the presence of correlations was heightened by the process of over-sampling, while correlations were suppressed by the inclusion of anti-mask data and with increased mask rank. As an application of this result, we explored how statistics-based alarming is impacted in a radiological search scenario. (C) 2014 Elsevier B.V. All rights reserved. C1 [Fleenor, Matthew C.] Roanoke Coll, Phys Grp, Salem, VA 24153 USA. [Blackston, Matthew A.; Ziock, Klaus P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Fleenor, MC (reprint author), Roanoke Coll, Phys Grp, 221 Coll Lane, Salem, VA 24153 USA. EM fleenor@roanoke.edu; blackstonma@ornl.gov; ziockk@ornl.gov OI Blackston, Matthew/0000-0003-2096-0108 NR 21 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2015 VL 784 BP 370 EP 376 DI 10.1016/j.nima.2014.12.028 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300067 ER PT J AU Ziock, KP Braverman, JB Fabris, L Harrison, MJ Hornback, D Newby, J AF Ziock, K. P. Braverman, J. B. Fabris, L. Harrison, M. J. Hornback, D. Newby, J. TI Event localization in bulk scintillator crystals using coded apertures SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Scintillation detector; Position-sensitive detector; Coded aperture imaging; Gamma-ray detector ID ARRAYS; CAMERA AB The localization of radiation interactions in bulk scintillators is generally limited by the size of the light distribution at the readout surface of the crystal/light-pipe system. By finding the centroid of the light spot, which is typically of order centimeters across, practical single-event localization is limited to similar to 2 mm/cm of crystal thickness. Similar resolution can also be achieved for the depth of interaction by measuring the size of the light spot. Through the use of near-field coded-aperture techniques applied to the scintillation light, light transport simulations show that for 3-cm-thick crystals, more than a five-fold improvement (millimeter spatial resolution) can be achieved both laterally and in event depth. At the core of the technique is the requirement to resolve the shadow from an optical mask placed in the scintillation light path between the crystal and the readout. In this paper, experimental results are presented that demonstrate the overall concept using a 1D shadow mask, a thin-scintillator crystal and a light pipe of varying thickness to emulate a 2.2-cm-thick crystal. Spatial resolutions of similar to 1 mm in both depth and transverse to the readout face are obtained over most of the crystal depth. (C) 2015 Elsevier B.V. All rights reserved. C1 [Ziock, K. P.; Fabris, L.; Harrison, M. J.; Hornback, D.; Newby, J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Ziock, K. P.; Braverman, J. B.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Ziock, KP (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Fabris, Lorenzo/E-4653-2013; OI Fabris, Lorenzo/0000-0001-5605-5615; Newby, Robert/0000-0003-3571-1067 NR 9 TC 1 Z9 1 U1 0 U2 2 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 2015 VL 784 BP 382 EP 389 DI 10.1016/j.nima.2015.01.013 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300069 ER PT J AU Caffrey, AJ Bowyer, TW Egger, AE Hall, JC Kelly, SM Krebs, KM Kreek, SA Jordan, DV Milbrath, BD Padgett, SW Wharton, CJ Wimer, NG AF Caffrey, A. J. Bowyer, T. W. Egger, A. E. Hall, J. C. Kelly, S. M. Krebs, K. M. Kreek, S. A. Jordan, D. V. Milbrath, B. D. Padgett, S. W. Wharton, C. J. Wimer, N. G. TI OSIRIS-Gamma-ray spectroscopy software for on-site inspections under the Comprehensive Nuclear-Test-Ban Treaty SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Automated gamma-ray spectrum analysis; Comprehensive Nuclear-Test-Ban Treaty; Fission-product gamma-ray spectroscopy; Nuclear nonproliferation; On-site inspection AB We have designed and tested software for the acquisition and analysis of high-resolution gamma-ray spectra during on-site inspections under the Comprehensive Nuclear-Test-Ban Treaty (LW). The On-Site Inspection Radioisotopic Spectroscopy OSIRIS software filters the spectral data to display only radioisotopic information relevant to CTBT on-site inspections, e.g.,I-131. A set of over 100 fission-product spectra was employed for OSIRIS testing. These spectra were measured where possible, or generated by modeling. The test spectral compositions include non-nuclear-explosion scenarios, e.g., a severe nuclear reactor accident, and nuclear-explosion scenarios such as a vented underground nuclear test. Comparing its computer-based analyses to expert visual analyses of the test spectra, OSIRIS correctly identifies LiBT-relevant fission product isotopes at the 95% level or better. (C) 2014 Elsevier B.V. All rights reserved. C1 [Caffrey, A. J.; Egger, A. E.; Kelly, S. M.; Krebs, K. M.; Wharton, C. J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Kreek, S. A.; Padgett, S. W.; Wimer, N. G.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Bowyer, T. W.; Hall, J. C.; Jordan, D. V.; Milbrath, B. D.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Caffrey, AJ (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM Gus.Caffrey@inl.gov NR 11 TC 0 Z9 0 U1 1 U2 2 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 2015 VL 784 BP 405 EP 411 DI 10.1016/j.nima.2014.10.066 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300073 ER PT J AU Chichester, DL Thompson, SJ Kinlaw, MT Johnson, JT Dolan, JI Flaska, M Pozzi, SA AF Chichester, David L. Thompson, Scott J. Kinlaw, Mathew T. Johnson, James T. Dolan, Jennifer I. Flaska, Marek Pozzi, Sara A. TI Statistical estimation of the performance of a fast-neutron multiplicity system for nuclear material accountancy SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Fast neutron; Neutron multiplicity; Nuclear material accountancy; Safeguards ID COINCIDENCE COUNTER; NONPROLIFERATION; FISSION; URANIUM; ASSAY AB Statistical analyses have been performed to develop bounding estimates of the expected performance of a conceptual fast-neutron multiplicity system (FNMS) for assaying plutonium. The conceptual FNMS design includes 32 cubic liquid scintillator detectors, measuring 7.62 cm per side, configured into 4 stacked rings of 8 detectors each. Expected response characteristics for the individual FNMS detectors, as well as the response characteristics of the entire FNMS, were determined using Monte Carlo simulations based on prior validation experiments. The results from these simulations were then used to estimate the Pu assay capabilities of the FNMS in terms of counting time, assay mass, and assay mass variance, using assay mass variance as a figure of merit. The analysis results are compared against a commonly used thermal-neutron coincidence counter. The advantages of using a fast-neutron counting system versus a thermal-neutron counting system are significant. Most notably, the time required to perform an assay to an equivalent assay mass variance is greatly reduced with a fast-neutron system, by more than an order of magnitude compared with that of the thermal-neutron system, due to the reduced probability of random summing with the fast system. The improved FNMS performance is especially relevant for assays involving Pu masses of 10 g or more. (C) 2014 Elsevier B.V. All rights reserved. C1 [Chichester, David L.; Thompson, Scott J.; Kinlaw, Mathew T.; Johnson, James T.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Dolan, Jennifer I.; Flaska, Marek; Pozzi, Sara A.] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. RP Chichester, DL (reprint author), Idaho Natl Lab, 2525 N Fremont Ave, Idaho Falls, ID 83415 USA. EM david.chichester@inl.gov RI Johnson, James/B-9689-2017 OI Johnson, James/0000-0002-3434-4413 NR 35 TC 6 Z9 6 U1 4 U2 7 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 2015 VL 784 BP 448 EP 454 DI 10.1016/j.nima.2014.09.027 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300079 ER PT J AU Croft, S LaFleur, AM McElroy, RD Swinhoe, MT AF Croft, Stephen LaFleur, Adrienne M. McElroy, Robert D., Jr. Swinhoe, Martyn T. TI Neutron triples counting data for uranium SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Nuclear safeguards; Nondestructive assay; Neutron multiplicity counting ID SPONTANEOUS FISSION; MULTIPLICITY MEASUREMENTS AB Correlated neutron counting using multiplicity shift register logic extracts the first three factorial moments from the detected neutron pulse train. The descriptive properties of the measurement item (mass, the ratio of (alpha,n) to spontaneous fission neutron production, and leakage self-multiplication) are related to the observed singles (S), doubles (D) and triples (T) rates, and this is the basis of the widely used multiplicity counting assay method. The factorial moments required to interpret and invert the measurement data in the framework of the point kinetics model may be calculated from the spontaneous fission prompt neutron multiplicity distribution P(v). In the case of U-238 very few measurements of P(v) are available and the derived values, especially for the higher factorial moments, are not known with high accuracy. In this work, we report the measurement of the triples rate per gram of U-238 based on the analysis of a set of measurements in which a collection of 10 cylinders of UO2F2, each containing about 230 g of compound, were measured individually and in groups. Special care was taken to understand and compensate the recorded multiplicity histograms for the effect of random cosmic-ray induced background neutrons, which, because they also come in bursts and mimic fissions but with a different and harder multiplicity distribution. We compare our fully corrected (deadtime, background, efficiency, multiplication) experimental results with first principles expectations based on evaluated nuclear data. Based on our results we suspect that the current evaluated nuclear data is biased, which points to a need to undertake new basic measurements of the U-238 prompt neutron multiplicity distribution. Published by Elsevier B.V. C1 [Croft, Stephen; McElroy, Robert D., Jr.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [LaFleur, Adrienne M.; Swinhoe, Martyn T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Croft, S (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM crofts@ornl.gov NR 19 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2015 VL 784 BP 455 EP 459 DI 10.1016/j.nima.2014.09.086 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300080 ER PT J AU Miller, EC Kalter, JM Lavelle, CM Watson, SM Kinlaw, MT Chichester, DL Noonan, WA AF Miller, E. C. Kalter, J. M. Lavelle, C. M. Watson, S. M. Kinlaw, M. T. Chichester, D. L. Noonan, W. A. TI Time-correlated neutron analysis of a multiplying HEU source SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE HEU; Liquid scintillators; Time-correlated; Neutron AB The ability to quickly identify and characterize special nuclear material remains a national security challenge. In counter-proliferation applications, identifying the neutron multiplication of a sample can be a good indication of the level of threat. Currently neutron multiplicity measurements are performed with moderated He-3 proportional counters. These systems rely on the detection of thermalized neutrons, a process which obscures both energy and time information from the source. Fast neutron detectors, such as liquid scintillators, have the ability to detect events on nanosecond time scales, providing more information on the temporal structure of the arriving signal, and provide an alternative method for extracting information from the source. To explore this possibility, a series of measurements were performed on the Idaho National Laboratory's MARVEL assembly, a configurable HEU source. The source assembly was measured in a variety of different HEU configurations and with different reflectors, covering a range of neutron multiplications from 2 to 8. The data was collected with liquid scintillator detectors and digitized for offline analysis. A gap based approach for identifying the bursts of detected neutrons associated with the same fission chain was used. Using this approach, we are able to study various statistical properties of individual fission chains. One of these properties is the distribution of neutron arrival times within a given burst. We have observed two interesting empirical trends. First, this distribution exhibits a weak, but definite, dependence on source multiplication. Second, there are distinctive differences in the distribution depending on the presence and type of reflector. Both of these phenomena might prove to be useful when assessing an unknown source. The physical origins of these phenomena can be illuminated with help of MCNPX-PoliMi simulations. (C) 2014 Elsevier B.V. All rights reserved. C1 [Miller, E. C.; Kalter, J. M.; Lavelle, C. M.; Noonan, W. A.] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 20723 USA. [Watson, S. M.; Kinlaw, M. T.; Chichester, D. L.] Idaho Natl Lab, Idaho Falls, ID USA. RP Miller, EC (reprint author), Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 20723 USA. EM Eric.Miller@jhuapl.edu NR 6 TC 0 Z9 0 U1 0 U2 0 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 2015 VL 784 BP 465 EP 469 DI 10.1016/j.nima.2014.11.009 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300082 ER PT J AU Ahmad, I Kondev, FG Greene, JP Zhu, S AF Ahmad, I. Kondev, F. G. Greene, J. P. Zhu, S. TI Room-temperature electron spectroscopy of (PU)-P-239 and Pu-240 SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Measured; Electron intensities; Conversion coefficients; Decay of Pu-239 and Pu-249 AB Passivated, implanted, planar silicon (PIPS) detectors have been used for the measurement of electron spectra. The commercially available PIPS detectors, available in thicknesses of 100 mu m, 300 mu m, and 500 pm, have an energy resolution (FWHM) of similar to 2.2 keV, which is essentially the same as that of PIN diodes. Alpha and electron spectra of mass-separated Pu-239 and Pu-240 sources have been measured with a 300-mu m thick PIPS detector and the electron to alpha ratios for the conversion lines of the 51.62- and 45.24-keV transitions have been determined. A procedure has been developed to determine the amount of Pu-239 and Pu-240 in a mixed source. The alpha-particle emission rate of the mixed source is measured, which is the sum of individual rates. From the electron spectrum of the mixed source, measured with the same setup as the alpha spectrum, the rates of (PU)-P-239 electron lines are determined. Using the electron rate of the Pu-239 line and the electron to alpha ratio measured for the pure source, the alpha-particle emission rate of Pu-239 is determined. The difference from the total alpha-particle emission rate gives the alpha-particle emission rate of Pu-240. In addition, electron intensities and conversion coefficients of the Pu-239 and Pu-240 transitions have been measured. (C) 2014 Elsevier B.V. All rights reserved. C1 [Ahmad, I.; Kondev, F. G.; Greene, J. P.; Zhu, S.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Ahmad, I (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ahmad@anl.gov NR 13 TC 1 Z9 1 U1 0 U2 0 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 2015 VL 784 BP 482 EP 485 DI 10.1016/j.nima.2014.12.029 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300085 ER PT J AU Horn, M Akerib, DS Araujo, HM Bai, X Bailey, AJ Balajthy, J Bernard, E Bernstein, A Bradley, A Byram, D Cahn, SB Carmona-Benitez, MC Chan, C Chapman, JJ Chiller, AA Chiller, C Currie, A de Viveiros, L Dobi, A Dobson, J Druszkiewicz, E Edwards, B Faham, CH Fiorucci, S Flores, C Gaitskell, RJ Gehman, VM Ghag, C Gibson, KR Gilchriese, MGD Hall, C Hanhardt, M Haselschwardt, S Hertel, SA Huang, DQ Ihm, M Jacobsen, RG Kazkaz, K Knoche, R Larsen, NA Lee, C Lenardo, B Lesko, KT Lindote, A Lopes, MI Malling, DC Mannino, R McKinsey, DN Mei, DM Mock, J Moongweluwan, M Morad, J Murphy, ASJ Nehrkorn, C Nelson, H Neves, F Ott, RA Pangilinan, M Parker, PD Pease, EK Pech, K Phelps, P Reichhart, L Shutt, T Silva, C Solovov, VN Sorensen, P O'Sullivan, K Sumner, TJ Szydagis, M Taylor, D Tennyson, B Tiedt, DR Tripathi, M Uvarov, S Verbus, JR Walsh, N Webb, R White, JT Witherell, MS Wolfs, FLH Woods, M Zhang, C AF Horn, Markus Akerib, D. S. Araujo, H. M. Bai, X. Bailey, A. J. Balajthy, J. Bernard, E. Bernstein, A. Bradley, A. Byram, D. Cahn, S. B. Carmona-Benitez, M. C. Chan, C. Chapman, J. J. Chiller, A. A. Chiller, C. Currie, A. de Viveiros, L. Dobi, A. Dobson, J. Druszkiewicz, E. Edwards, B. Faham, C. H. Fiorucci, S. Flores, C. Gaitskell, R. J. Gehman, V. M. Ghag, C. Gibson, K. R. Gilchriese, M. G. D. Hall, C. Hanhardt, M. Haselschwardt, S. Hertel, S. A. Huang, D. Q. Ihm, M. Jacobsen, R. G. Kazkaz, K. Knoche, R. Larsen, N. A. Lee, C. Lenardo, B. Lesko, K. T. Lindote, A. Lopes, M. I. Malling, D. C. Mannino, R. McKinsey, D. N. Mei, D. -M. Mock, J. Moongweluwan, M. Morad, J. Murphy, A. St. J. Nehrkorn, C. Nelson, H. Neves, F. Ott, R. A. Pangilinan, M. Parker, P. D. Pease, E. K. Pech, K. Phelps, P. Reichhart, L. Shutt, T. Silva, C. Solovov, V. N. Sorensen, P. O'Sullivan, K. Sumner, T. J. Szydagis, M. Taylor, D. Tennyson, B. Tiedt, D. R. Tripathi, M. Uvarov, S. Verbus, J. R. Walsh, N. Webb, R. White, J. T. Witherell, M. S. Wolfs, F. L. H. Woods, M. Zhang, C. TI Results from the LUX dark matter experiment SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Dark matter; WIMP; Liquid xenon; Time projection chamber ID DETECTORS; RUN AB The LUX (Large Underground Xenon) experiment aims at the direct detection of dark matter particles via their collisions with xenon nuclei. The 370 kg two-phase liquid xenon time projection chamber measures simultaneously the scintillation and ionization from interactions in the target. The ratio of these two signals provides very good discrimination between potential nuclear recoil and electronic recoil signals to search for WIMP-nucleon scattering. The LUX detector operates at the Sanford Underground Research Facility (Lead, South Dakota, USA) since February 2013. First results were presented in late 2013 setting the world's most stringent limits on WIMP-nucleon scattering cross-sections over a wide range of WIMP masses. A 300 day run beginning in 2014 will further improve the sensitivity and new calibration techniques will reduce systematics for the WIMP signal search. (C) 2014 Elsevier B.V. All rights reserved. C1 [Horn, Markus; Bernard, E.; Cahn, S. B.; Edwards, B.; Hertel, S. A.; Larsen, N. A.; McKinsey, D. N.; Parker, P. D.; Pease, E. K.; O'Sullivan, K.; Tennyson, B.] Yale Univ, Dept Phys, New Haven, CT 06511 USA. [Akerib, D. S.; Bradley, A.; Gibson, K. R.; Lee, C.; Pech, K.; Phelps, P.; Shutt, T.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. [Araujo, H. M.; Bailey, A. J.; Currie, A.; Sumner, T. J.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, High Energy Phys, London SW7 2BZ, England. [Bai, X.; Tiedt, D. R.] South Dakota Sch Mines & Technol, Rapid City, SD 57701 USA. [Balajthy, J.; Dobi, A.; Hall, C.; Knoche, R.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [Bernstein, A.; Kazkaz, K.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Byram, D.; Chiller, A. A.; Chiller, C.; Mei, D. -M.; Zhang, C.] Univ S Dakota, Dept Phys, Vermillion, SD 57069 USA. [Carmona-Benitez, M. C.; Haselschwardt, S.; Witherell, M. S.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Chan, C.; Chapman, J. J.; Fiorucci, S.; Gaitskell, R. J.; Huang, D. Q.; Malling, D. C.; Pangilinan, M.; Verbus, J. R.] Brown Univ, Dept Phys, Providence, RI 02912 USA. [de Viveiros, L.; Lindote, A.; Lopes, M. I.; Neves, F.; Silva, C.; Solovov, V. N.] Univ Coimbra, Dept Phys, LIP Coimbra, P-3004516 Coimbra, Portugal. [Dobson, J.; Murphy, A. St. J.] Univ Edinburgh, Sch Phys & Astron, SUPA, Edinburgh EH9 3JZ, Midlothian, Scotland. [Druszkiewicz, E.; Moongweluwan, M.; Wolfs, F. L. H.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. [Faham, C. H.; Gehman, V. M.; Gilchriese, M. G. D.; Lesko, K. T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Flores, C.; Lenardo, B.; Mock, J.; Morad, J.; Ott, R. A.; Szydagis, M.; Tripathi, M.; Uvarov, S.; Walsh, N.; Woods, M.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Ghag, C.; Reichhart, L.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Hanhardt, M.; Taylor, D.] South Dakota Sci & Technol Author, Sanford Underground Res Facil, Lead, SD 57754 USA. [Ihm, M.; Jacobsen, R. G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Mannino, R.; Webb, R.; White, J. T.] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. RP Horn, M (reprint author), Yale Univ, Dept Phys, 217 Prospect St, New Haven, CT 06511 USA. EM markus.horn@yale.edu OI Silva, Claudio/0000-0002-1771-1517; Murphy, Alexander/0000-0001-8337-4427 NR 23 TC 4 Z9 4 U1 3 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUN 1 PY 2015 VL 784 BP 504 EP 507 DI 10.1016/j.nima.2014.11.033 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300089 ER PT J AU Kim, H Chen, CT Eclov, N Ronzhin, A Murat, P Ramberg, E Los, S Wyrwicz, AM Li, L Kao, CM AF Kim, H. Chen, C. -T. Eclov, N. Ronzhin, A. Murat, P. Ramberg, E. Los, S. Wyrwicz, A. M. Li, L. Kao, C. -M. TI A feasibility study of a PET/MRI insert detector using strip-line and waveform sampling data acquisition SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE PET-MRI; Strip-line signal readout; Waveform sampling ID TOF-PET DETECTOR; SILICON PHOTOMULTIPLIERS; PERFORMANCES; READOUT AB We are developing a time-of-flight Positron Emission Tomography (PET) detector by using silicon photo-multipliers (SiPM) on a strip-line and high speed waveform sampling data acquisition. In this design, multiple SiPMs are connected on a single strip-line and signal waveforms on the strip-line are sampled at two ends of the strip to reduce readout channels while fully exploiting the fast time response of SiPMs. In addition to the deposited energy and time information, the position of the hit SiPM along the strip-line is determined by the arrival time difference of the waveform. Due to the insensitivity of the SiPMs to magnetic fields and the compact front-end electronics, the detector approach is highly attractive for developing a PET insert system for a magnetic resonance imaging (MRI) scanner to provide simultaneous PET/MR imaging. To investigate the feasibility, experimental tests using prototype detector modules have been conducted inside a 9.4 T small animal MRI scanner (Bruker BioSpec 94/30 imaging spectrometer). On the prototype strip-line board, 16 SiPMs (5.2 mm pitch) are installed on two strip-lines and coupled to 2 x 8 LYSO scintillators (5.0 x 5.0 x 10.0 mm(3) with 5.2 mm pitch). The outputs of the strip-line boards are connected to a Domino-Ring-Sampler (DRS4) evaluation board for waveform sampling. Preliminary experimental results show that the effect of interference on the MRI image due to the PET detector is negligible and that PET detector performance is comparable with the results measured outside the MRI scanner. (C) 2014 Elsevier B.V. All rights reserved. C1 [Kim, H.; Chen, C. -T.; Eclov, N.; Kao, C. -M.] Univ Chicago, Dept Radiol, Chicago, IL 60637 USA. [Ronzhin, A.; Murat, P.; Ramberg, E.; Los, S.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Wyrwicz, A. M.; Li, L.] NorthShore Univ HealthSyst Res Inst, Evanston, IL 60201 USA. RP Kim, H (reprint author), Univ Chicago, Dept Radiol, Chicago, IL 60637 USA. EM heejongkim@uchicago.edu FU NCATS NIH HHS [UL1 TR000430]; NIBIB NIH HHS [R01 EB016104, T32 EB002103] NR 14 TC 7 Z9 8 U1 0 U2 2 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 2015 VL 784 BP 557 EP 564 DI 10.1016/j.nima.2014.12.080 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300098 PM 25937685 ER PT J AU Zhang, XD Ayaz-Maierhafer, B Laubach, MA Hayward, JP AF Zhang, Xiaodong Ayaz-Maierhafer, Birsen Laubach, Mitchell A. Hayward, Jason P. TI Observation of material, thickness, and bremsstrahlung x-ray intensity dependent effects in moderate and high Z targets in a gamma and x-ray LIDAR experiment SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 15th Symposium on Radiation Measurements and Applications (SORMA) CY JUN 09-12, 2014 CL Univ Michigan Campus, Ann Arbor, MI SP Dept Energy, Univ Michigan, Coll Engn, Dept Nucl Engn & Radiol Sci HO Univ Michigan Campus DE Fast pulse LINAC; Cherenkov detector; LIDAR ID CHERENKOV GLASS DETECTORS AB A high energy gamma and x-ray LIDAR system consisting of a fast pulse (similar to 50 ps, FWHM) LINAC and a Cherenkov detection system was used to investigate response differences among materials, their thicknesses, and bremsstrahlung x-ray intensities. The energies and pulse width of electrons used to produce bremsstrahlung x-rays were set at 20 or 40 MeV and 50 ps FWHM duration, respectively. The Cherenkov detector was built with a fused silica glass optically coupled to a 51 mm fast timing photomultiplier tube, which has an intrinsic energy threshold of 340.7 keV for Compton backscattered gammas. Such a fast detection system yields a coincidence resolving time of 93 ps FWHM, which is equivalent to a depth resolving capability of about 3 cm FWHM. The thicknesses of iron and lead targets were varied from 1 in. to 7 in. with a step of 1 in., and the thicknesses of DU were varied from 1/3 in. to 1 in. with a step of 1/3 in. The experimental results show that iron targets tend to produce a factor of five less observed x-rays and gammas, with less energetic photoelectron frequency distributions, compared with DU and lead targets for the same beam intensity and target thicknesses. Additionally, the self-shielding effect causes the lead to yield more gammas than the DU considering the experimental observation point. For the setup used in this study, a charge per pulse in the range of 1-2.5 nC yields the best resolving capability between the DU and lead targets. Published by Elsevier B.V. C1 [Zhang, Xiaodong; Ayaz-Maierhafer, Birsen; Laubach, Mitchell A.; Hayward, Jason P.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. [Hayward, Jason P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Zhang, XD (reprint author), Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA. EM xzhang39@utk.edu NR 9 TC 0 Z9 0 U1 0 U2 2 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 2015 VL 784 BP 621 EP 624 DI 10.1016/j.nima.2014.12.076 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CI2QO UT WOS:000354592300110 ER PT J AU Albrow, M AF Albrow, Michael TI BLACK HOLE BIZARRENESS SO SCIENTIFIC AMERICAN LA English DT Letter C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Albrow, M (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0036-8733 J9 SCI AM JI Sci.Am. PD JUN PY 2015 VL 312 IS 6 BP 6 EP 6 PG 1 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CI8VK UT WOS:000355049600004 ER PT J AU Cerchiari, A Garbe, JC Todhunter, ME Jee, NY Pinney, JR LaBarge, MA Desai, TA Gartner, ZJ AF Cerchiari, Alec Garbe, James C. Todhunter, Michael E. Jee, Noel Y. Pinney, James R. LaBarge, Mark A. Desai, Tejal A. Gartner, Zev J. TI Formation of Spatially and Geometrically Controlled Three-Dimensional Tissues in Soft Gels by Sacrificial Micromolding SO TISSUE ENGINEERING PART C-METHODS LA English DT Article ID EPITHELIAL MORPHOGENESIS; EXTRACELLULAR-MATRIX; CELL-CULTURE; MICROSTRUCTURES; HYDROGELS; GROWTH; SHAPE AB Patterned three-dimensional (3D) cell culture models aim to more accurately represent the in vivo architecture of a tissue for the purposes of testing drugs, studying multicellular biology, or engineering functional tissues. However, patterning 3D multicellular structures within very soft hydrogels (<500 Pa) that mimic the physicochemical environment of many tissues remains a challenge for existing methods. To overcome this challenge, we use a Sacrificial Micromolding technique to temporarily form spatially and geometrically defined 3D cell aggregates in degradable scaffolds before transferring and culturing them in a reconstituted extracellular matrix. Herein, we demonstrate that Sacrificial Micromolding (1) promotes cyst formation and proper polarization of established epithelial cell lines, (2) allows reconstitution of heterotypic cell-cell interactions in multicomponent epithelia, and (3) can be used to control the lumenization-state of epithelial cysts as a function of tissue size. In addition, we discuss the potential of Sacrificial Micromolding as a cell-patterning tool for future studies. C1 [Cerchiari, Alec; Pinney, James R.; Desai, Tejal A.; Gartner, Zev J.] Univ Calif Berkeley, Dept Bioengn, UC Berkeley UCSF Grad Program Bioengn, Berkeley, CA 94720 USA. [Garbe, James C.; LaBarge, Mark A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Todhunter, Michael E.; Gartner, Zev J.] Univ Calif San Francisco, TETRAD Grad Program, San Francisco, CA 94158 USA. [Todhunter, Michael E.; Jee, Noel Y.; Gartner, Zev J.] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94158 USA. [Jee, Noel Y.; Desai, Tejal A.] Univ Calif San Francisco, Chem & Chem Biol Grad Program, San Francisco, CA 94158 USA. [Cerchiari, Alec; Pinney, James R.; Desai, Tejal A.] Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, San Francisco, CA 94158 USA. [Gartner, Zev J.] Univ Calif San Francisco, Ctr Syst & Synthet Biol, San Francisco, CA 94158 USA. RP Desai, TA (reprint author), Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, 1700 4th St, San Francisco, CA 94158 USA. EM tejal.desai@ucsf.edu; zev.gartner@ucsf.edu FU U.S. Department of Defense through the NDSEG program FX AC was supported by the U.S. Department of Defense through the NDSEG program. The CDMRP (W81XWH-10-1-1023 and W81XWH-13-1-0221), the UCSF Center for Systems and Synthetic Biology (P50 GM081879), the Program in Biomedical Breakthrough Research (PBBR), and the NIH (DP2 HD080351-01) also contributed to this research. The authors also thank the BMNC at UCSF for training and use of their photolithographic facilities. NR 28 TC 5 Z9 5 U1 4 U2 11 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1937-3384 EI 1937-3392 J9 TISSUE ENG PART C-ME JI Tissue Eng. Part C-Methods PD JUN 1 PY 2015 VL 21 IS 6 BP 541 EP 547 DI 10.1089/ten.tec.2014.0450 PG 7 WC Cell & Tissue Engineering; Biotechnology & Applied Microbiology; Cell Biology SC Cell Biology; Biotechnology & Applied Microbiology GA CI6LF UT WOS:000354870000003 PM 25351430 ER PT J AU Bragg, WA Lemire, SW Coleman, RM Hamelin, EI Johnson, RC AF Bragg, William A. Lemire, Sharon W. Coleman, Rebecca M. Hamelin, Elizabeth I. Johnson, Rudolph C. TI Detection of human exposure to saxitoxin and neosaxitoxin in urine by online-solid phase extraction-liquid chromatography-tandem mass spectrometry SO TOXICON LA English DT Article DE Marine toxins; Saxitoxin; Neosaxitoxin; LC-MS/MS; Online SPE ID PARALYTIC SHELLFISH TOXINS; POSTMORTEM ANALYSIS; POISONING TOXINS; 4-AMINOPYRIDINE; SAMPLES AB Saxitoxin (STX) and neosaxitoxin (NEO) are potent neurotoxins that cause paralytic shellfish poisoning (PSP). PSP typically occurs through the ingestion of bivalve shellfish that have consumed toxin producing dinoflagellates. Due to initial presentation of symptoms being nonspecific, a clinical measurement is needed to confirm exposure to these toxins. Our group has developed an online solid phase extraction hydrophilic interaction liquid chromatography (HILIC) method for the analysis of STX and NEO in human urine with tandem mass spectrometry. A unique feature of this online method is the incorporation of a new synthetic N-15(4)-STX labeled internal standard used for quantitation. Manual sample preparation time was reduced by approximately 70% for 98 urine samples as compared to a previously reported method. The lowest reportable limit for STX was improved from 5.0 ng/mL to 1.01 ng/mL and from 10.0 ng/mL to 2.62 ng/mL for NEO. Three analysts validated the method with 20 calibration curves total over 30 days with precision and accuracy within +/- 15% for all QCs. This new online method rapidly identifies SIX and NEO exposure with improved sensitivity, which can facilitate the work of public health authorities to confirm the cases of PSP, complementing the many shellfish monitoring programs worldwide. Published by Elsevier Ltd. C1 [Bragg, William A.; Lemire, Sharon W.; Hamelin, Elizabeth I.; Johnson, Rudolph C.] Ctr Dis Control & Prevent, Atlanta, GA 30341 USA. [Coleman, Rebecca M.] Ctr Dis Control & Prevent, ORISE, Natl Ctr Environm Hlth, Div Sci Lab, Atlanta, GA 30341 USA. RP Hamelin, EI (reprint author), Ctr Dis Control & Prevent, 4770 Buford Highway,MS F44, Atlanta, GA 30341 USA. EM eph3@cdc.gov NR 28 TC 3 Z9 4 U1 6 U2 32 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0041-0101 J9 TOXICON JI Toxicon PD JUN 1 PY 2015 VL 99 BP 118 EP 124 DI 10.1016/j.toxicon.2015.03.017 PG 7 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA CI8MD UT WOS:000355025500016 PM 25817003 ER PT J AU Lamsal, LN Duncan, BN Yoshida, Y Krotkov, NA Pickering, KE Streets, DG Lu, ZF AF Lamsal, Lok N. Duncan, Bryan N. Yoshida, Yasuko Krotkov, Nickolay A. Pickering, Kenneth E. Streets, David G. Lu, Zifeng TI U.S. NO2 trends (2005-2013): EPA Air Quality System (AQS) data versus improved observations from the Ozone Monitoring Instrument (OMI) SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Nitrogen dioxide; Troposphere; Air quality; Trend; Aura OMI ID TROPOSPHERIC NITROGEN-DIOXIDE; UNITED-STATES; SATELLITE RETRIEVALS; ECONOMIC RECESSION; COLUMN RETRIEVAL; POWER-PLANTS; INTEX-B; EMISSIONS; SPACE; INVENTORY AB Emissions of nitrogen oxides (NOx) and, subsequently, atmospheric levels of nitrogen dioxide (NO2) have decreased over the U.S. due to a combination of environmental policies and technological change. Consequently, NO2 levels have decreased by 30-40% in the last decade. We quantify NO2 trends (2005 -2013) over the U.S. using surface measurements from the U.S. Environmental Protection Agency (EPA) Air Quality System (AQS) and an improved tropospheric NO2 vertical column density (VCD) data product from the Ozone Monitoring Instrument (OMI) on the Aura satellite. We demonstrate that the current OMI NO2 algorithm is of sufficient maturity to allow a favorable correspondence of trends and variations in OMI and AQS data. Our trend model accounts for the non-linear dependence of NO2 concentration on emissions associated with the seasonal variation of the chemical lifetime, including the change in the amplitude of the seasonal cycle associated with the significant change in NOx emissions that occurred over the last decade. The direct relationship between observations and emissions becomes more robust when one accounts for these non-linear dependencies. We improve the OMI NO2 standard retrieval algorithm and, subsequently, the data product by using monthly vertical concentration profiles, a required algorithm input, from a high-resolution chemistry and transport model (CTM) simulation with varying emissions (2005-2013). The impact of neglecting the time-dependence of the profiles leads to errors in trend estimation, particularly in regions where emissions have changed substantially. For example, trends calculated from retrievals based on time-dependent profiles offer 18% more instances of significant trends and up to 15% larger total NO2 reduction versus the results based on profiles for 2005. Using a CTM, we explore the theoretical relation of the trends estimated from NO2 VCDs to those estimated from ground-level concentrations. The model-simulated trends in VCDs strongly correlate with those estimated from surface concentrations (r = 0.83, N = 355). We then explore the observed correspondence of trends estimated from OMI and AQS data. We find a significant, but slightly weaker, correspondence (i.e., r = 0.68, N = 208) than predicted by the model and discuss some of the important factors affecting the relationship, including known problems (e.g., NOz interferents) associated with the AQS data. This significant correspondence gives confidence in trend and surface concentration estimates from OMI VCDs for locations, such as the majority of the U.S. and globe, that are not covered by surface monitoring networks. Using our improved trend model and our enhanced OMI data product, we find that both OMI and AQS data show substantial downward trends from 2005 to 2013, with an average reduction of 38% for each over the U.S. The annual reduction rates inferred from OMI and AQS measurements are larger (-4.8 +/- 1.9%/yr, -3.7 +/- 1.5%/yr) from 2005 to 2008 than 2010 to 2013 (-1.2 +/- 1.2%/yr, -2.1 +/- 1.4%/yr). We quantify NO2 trends for major U.S. cities and power plants; the latter suggest larger negative trend (-4.0 +/- 1.5%/yr) between 2005 and 2008 and smaller or insignificant changes (-0.5 +/- 1.2%/yr) during 2010-2013. (C) 2015 The Authors. Published by Elsevier Ltd. C1 [Lamsal, Lok N.] Univ Space Res Assoc, Goddard Earth Sci Technol & Res, Columbia, MD USA. [Lamsal, Lok N.; Duncan, Bryan N.; Yoshida, Yasuko; Krotkov, Nickolay A.; Pickering, Kenneth E.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Yoshida, Yasuko] Sci Syst & Applicat Inc, Lanham, MD 20706 USA. [Streets, David G.; Lu, Zifeng] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. RP Lamsal, LN (reprint author), NASA, GESTAR USRA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. EM lok.lamsal@nasa.gov RI Krotkov, Nickolay/E-1541-2012; Pickering, Kenneth/E-6274-2012; Duncan, Bryan/A-5962-2011 OI Krotkov, Nickolay/0000-0001-6170-6750; FU NASA Air Quality Applied Science Team (AQAST); NASA's Earth Science Directorate Atmospheric Composition Programs FX Heather Simon, Paul Miller, and two anonymous reviewers provided helpful comments that improved this manuscript. This work was supported by the NASA Air Quality Applied Science Team (AQAST) and NASA's Earth Science Directorate Atmospheric Composition Programs. NR 89 TC 21 Z9 22 U1 11 U2 76 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 2015 VL 110 BP 130 EP 143 DI 10.1016/j.atmosenv.2015.03.055 PG 14 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CI2QG UT WOS:000354591500015 ER PT J AU Collier, N Haji-Ali, AL Nobile, F von Schwerin, E Tempone, R AF Collier, Nathan Haji-Ali, Abdul-Lateef Nobile, Fabio von Schwerin, Erik Tempone, Raul TI A continuation multilevel Monte Carlo algorithm SO BIT NUMERICAL MATHEMATICS LA English DT Article DE Multilevel Monte Carlo; Monte Carlo; Partial differential equations with random data; Stochastic differential equations; Bayesian inference ID ADAPTIVE WEAK APPROXIMATION; DIFFERENTIAL-EQUATIONS; SIMULATION; COMPLEXITY; FINANCE AB We propose a novel Continuation Multi Level Monte Carlo (CMLMC) algorithm for weak approximation of stochastic models. The CMLMC algorithm solves the given approximation problem for a sequence of decreasing tolerances, ending when the required error tolerance is satisfied. CMLMC assumes discretization hierarchies that are defined a priori for each level and are geometrically refined across levels. The actual choice of computational work across levels is based on parametric models for the average cost per sample and the corresponding variance and weak error. These parameters are calibrated using Bayesian estimation, taking particular notice of the deepest levels of the discretization hierarchy, where only few realizations are available to produce the estimates. The resulting CMLMC estimator exhibits a non-trivial splitting between bias and statistical contributions. We also show the asymptotic normality of the statistical error in the MLMC estimator and justify in this way our error estimate that allows prescribing both required accuracy and confidence in the final result. Numerical results substantiate the above results and illustrate the corresponding computational savings in examples that are described in terms of differential equations either driven by random measures or with random coefficients. C1 [Collier, Nathan] Oak Ridge Natl Lab, Div Environm Sci, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Haji-Ali, Abdul-Lateef; Tempone, Raul] KAUST, Appl Math & Computat Sci, Thuwal, Saudi Arabia. [Nobile, Fabio] EPF Lausanne, MATHICSE CSQI, Lausanne, Switzerland. [von Schwerin, Erik] Kungliga Tekniska Hogskolan, Dept Math, S-10044 Stockholm, Sweden. RP Haji-Ali, AL (reprint author), KAUST, Appl Math & Computat Sci, Thuwal, Saudi Arabia. EM nathaniel.collier@gmail.com; abdullateef.hajiali@kaust.edu.sa; fabio.nobile@epfl.ch; Schwerin@kth.se; raul.tempone@kaust.edu.sa RI nobile, fabio/B-6515-2014; TEMPONE, RAUL/G-6557-2014; OI nobile, fabio/0000-0002-8130-0114; TEMPONE, RAUL/0000-0003-1967-4446; Haji-Ali, Abdul-Lateef/0000-0002-6243-0335; /0000-0002-2964-7225 FU King Abdullah University of Science and Technology (KAUST) AEA project; University of Texas at Austin AEA Round 3 FX Raul Tempone is a member of the Strategic Research Initiative on Uncertainty Quantification in Computational Science and Engineering at KAUST (SRI-UQ). The authors would like to recognize the support of King Abdullah University of Science and Technology (KAUST) AEA project "Predictability and Uncertainty Quantification for Models of Porous Media" and University of Texas at Austin AEA Round 3 "Uncertainty quantification for predictive modeling of the dissolution of porous and fractured media". We would also like to acknowledge the use of the following open source software packages: PETSc [4], PetIGA [8], NumPy, matplotlib [21]. NR 30 TC 12 Z9 12 U1 3 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0006-3835 EI 1572-9125 J9 BIT JI Bit PD JUN PY 2015 VL 55 IS 2 BP 399 EP 432 DI 10.1007/s10543-014-0511-3 PG 34 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA CI4FX UT WOS:000354704400004 ER PT J AU Shen, HY Liu, GX Ward, L AF Shen, Haiying Liu, Guoxin Ward, Lee TI A Proximity-Aware Interest-Clustered P2P File Sharing System SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS LA English DT Article DE P2P networks; file sharing system; proximity awareness; file replication; Bloom filter ID TO-PEER SYSTEMS; EFFICIENT; OVERLAY; LOCALITY; NETWORKS; RESOURCES; SERVICE; SCALE AB Efficient file query is important to the overall performance of peer-to-peer (P2P) file sharing systems. Clustering peers by their common interests can significantly enhance the efficiency of file query. Clustering peers by their physical proximity can also improve file query performance. However, few current works are able to cluster peers based on both peer interest and physical proximity. Although structured P2Ps provide higher file query efficiency than unstructured P2Ps, it is difficult to realize it due to their strictly defined topologies. In this work, we introduce a Proximity-Aware and Interest-clustered P2P file sharing System (PAIS) based on a structured P2P, which forms physically-close nodes into a cluster and further groups physically-close and common-interest nodes into a sub-cluster based on a hierarchical topology. PAIS uses an intelligent file replication algorithm to further enhance file query efficiency. It creates replicas of files that are frequently requested by a group of physically close nodes in their location. Moreover, PAIS enhances the intra-sub-cluster file searching through several approaches. First, it further classifies the interest of a sub-cluster to a number of sub-interests, and clusters common-sub-interest nodes into a group for file sharing. Second, PAIS builds an overlay for each group that connects lower capacity nodes to higher capacity nodes for distributed file querying while avoiding node overload. Third, to reduce file searching delay, PAIS uses proactive file information collection so that a file requester can know if its requested file is in its nearby nodes. Fourth, to reduce the overhead of the file information collection, PAIS uses bloom filter based file information collection and corresponding distributed file searching. Fifth, to improve the file sharing efficiency, PAIS ranks the bloom filter results in order. Sixth, considering that a recently visited file tends to be visited again, the bloom filter based approach is enhanced by only checking the newly added bloom filter information to reduce file searching delay. Trace-driven experimental results from the real-world PlanetLab testbed demonstrate that PAIS dramatically reduces overhead and enhances the efficiency of file sharing with and without churn. Further, the experimental results show the high effectiveness of the intra-sub-cluster file searching approaches in improving file searching efficiency. C1 [Shen, Haiying; Liu, Guoxin] Clemson Univ, Dept Elect & Comp Engn, Clemson, SC 29634 USA. [Ward, Lee] Sandia Natl Labs, Scalable Syst Comp Dept, Livermore, CA 94550 USA. RP Shen, HY (reprint author), Clemson Univ, Dept Elect & Comp Engn, Clemson, SC 29634 USA. EM shenh@clemson.edu; guoxinl@clemson.edu; lee@sandia.gov FU US National Science Foundation (NSF) [IIS-1354123, CNS-1254006, CNS-1249603, CNS-1049947, CNS-0917056, CNS-1025652]; Microsoft Research Faculty Fellowship [8300751]; United States Department of Defense [238866] FX This research was supported in part by US National Science Foundation (NSF) grants IIS-1354123, CNS-1254006, CNS-1249603, CNS-1049947, CNS-0917056 and CNS-1025652, Microsoft Research Faculty Fellowship 8300751, and the United States Department of Defense 238866. An early version of this work was presented in the Proceedings of CCGRID 2009 [56]. NR 50 TC 1 Z9 1 U1 3 U2 8 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1045-9219 EI 1558-2183 J9 IEEE T PARALL DISTR JI IEEE Trans. Parallel Distrib. Syst. PD JUN PY 2015 VL 26 IS 6 BP 1509 EP 1523 DI 10.1109/TPDS.2014.2327033 PG 15 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA CI1SY UT WOS:000354526000002 ER PT J AU Mittal, S Vetter, JS Li, D AF Mittal, Sparsh Vetter, Jeffrey S. Li, Dong TI A Survey Of Architectural Approaches for Managing Embedded DRAM and Non-Volatile On-Chip Caches SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS LA English DT Article DE Review; classification; embedded DRAM (eDRAM); non-volatile memory (NVM); spin-transfer torque RAM (STT-RAM); resistive RAM (RRAM); phase change RAM (PCM); domain wall memory (DWM); emerging memory technologies ID STT-RAM CACHES; HYBRID CACHE; MEMORY TECHNOLOGY; LOW-LEAKAGE; POWER; ENERGY; MRAM; PERFORMANCE; EFFICIENCY; LIFETIME AB Recent trends of CMOS scaling and increasing number of on-chip cores have led to a large increase in the size of on-chip caches. Since SRAM has low density and consumes large amount of leakage power, its use in designing on-chip caches has become more challenging. To address this issue, researchers are exploring the use of several emerging memory technologies, such as embedded DRAM, spin transfer torque RAM, resistive RAM, phase change RAM and domain wall memory. In this paper, we survey the architectural approaches proposed for designing memory systems and, specifically, caches with these emerging memory technologies. To highlight their similarities and differences, we present a classification of these technologies and architectural approaches based on their key characteristics. We also briefly summarize the challenges in using these technologies for architecting caches. We believe that this survey will help the readers gain insights into the emerging memory device technologies, and their potential use in designing future computing systems. C1 [Mittal, Sparsh; Vetter, Jeffrey S.; Li, Dong] Oak Ridge Natl Lab, Future Technol Grp, Oak Ridge, TN 37830 USA. RP Mittal, S (reprint author), Oak Ridge Natl Lab, Future Technol Grp, Oak Ridge, TN 37830 USA. EM mittals@ornl.gov; vetter@ornl.gov; lid1@ornl.gov NR 108 TC 15 Z9 15 U1 3 U2 13 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1045-9219 EI 1558-2183 J9 IEEE T PARALL DISTR JI IEEE Trans. Parallel Distrib. Syst. PD JUN PY 2015 VL 26 IS 6 BP 1524 EP 1537 DI 10.1109/TPDS.2014.2324563 PG 14 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA CI1SY UT WOS:000354526000003 ER PT J AU Brake, MRW AF Brake, M. R. W. TI An analytical elastic plastic contact model with strain hardening and frictional effects for normal and oblique impacts SO INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES LA English DT Article DE Contact mechanics; Constitutive behavior; Elastic plastic material; Indentation and hardness; Friction ID FORCE-DISPLACEMENT MODEL; GRANULAR-FLOW SIMULATIONS; STATIC NORMAL INDENTATION; DRIVEN FORMULATION; SPHERICAL CONTACT; FINITE-ELEMENT; RIGID SPHERE; HALF-SPACE; ELASTOPLASTIC CONTACT; ROUGH SURFACES AB Impact between metallic surfaces is a phenomenon that is ubiquitous in the design and analysis of mechanical systems. To model this phenomenon, a new formulation for frictional elastic-plastic contact between two surfaces is developed. The formulation is developed to consider both frictional, oblique contact (of which normal, frictionless contact is a limiting case) and strain hardening effects. The constitutive model for normal contact is developed as two contiguous loading domains: the elastic regime and a transitionary region in which the plastic response of the materials develops and the elastic response abates. For unloading, the constitutive model is based on an elastic process. The normal contact model is assumed to only couple one-way with the frictional/tangential contact model, which results in the normal contact model being independent of the frictional effects. Frictional, tangential contact is modeled using a microslip model that is developed to consider the pressure distribution that develops from the elastic-plastic normal contact. The model is validated through comparisons with experimental results reported in the literature, and is demonstrated to be significantly more accurate than 10 other normal contact models and three other tangential contact models found in the literature. (C) 2015 Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Brake, MRW (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mrbrake@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporations, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 71 TC 6 Z9 8 U1 3 U2 36 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 2015 VL 62 BP 104 EP 123 DI 10.1016/j.ijsolstr.2015.02.018 PG 20 WC Mechanics SC Mechanics GA CI2MF UT WOS:000354581000009 ER PT J AU Wang, YL Sham, TL Jetter, RI AF Wang, Yanli Sham, T. -L. Jetter, R. I. TI Two-Bar Thermal Ratcheting for Alloy 617-Part I: Scoping Tests SO JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article AB A two-bar thermal ratcheting procedure has been implemented to Alloy 617 at very high temperatures. The procedure is based on two bars tested on two coupled servo hydraulic machines to achieve equal displacement and constant total applied load, mimicking the behavior of a pressurized cylinder subjected to through wall thermal transients. The bars were heated and cooled out of phase to generate thermally induced loading superimposed on a constant mean stress. Scoping test results at slow heating and cooling rates are presented for different mean stresses and thermal histories. C1 [Wang, Yanli; Sham, T. -L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Jetter, R. I.] RI Jetter Consulting, Pebble Beach, CA 93953 USA. RP Sham, TL (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM wangy3@ornl.gov; shamt@ornl.gov; bjetter@sbcglobal.net FU U.S. Department of Energy (DOE) [DE-AC05-00OR22725]; Oak Ridge National Laboratory FX The research was sponsored by the U.S. Department of Energy (DOE), under Contract No. DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. The programmatic direction was provided by the Office of Nuclear Energy, Small Modular Reactor Research and Development Program. NR 6 TC 0 Z9 0 U1 1 U2 3 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 2015 VL 137 IS 3 AR 031008 DI 10.1115/1.4028302 PG 8 WC Engineering, Mechanical SC Engineering GA CH3YH UT WOS:000353966600009 ER PT J AU Wang, YL Sham, TL Jetter, RI AF Wang, Yanli Sham, T. -L. Jetter, R. I. TI Two-Bar Thermal Ratcheting for Alloy 617-Part II: Ratcheting Results SO JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article ID TEMPERATURE CREEP-FATIGUE; NICKEL-ALLOY; STEEL AB This is Part II of a study on two-bar thermal ratcheting for Alloy 617. The ratcheting strains were evaluated for conditions with the same temperature range but with different mean stresses, heating and cooling rates, time delays, and thermal histories. These testing conditions were designed to be closely aligned to the development of design rules for strain limits at very high temperatures for Alloy 617. These new design rules have been formulated to address the fact that the effects of plastic deformation and creep deformation on the ratcheting strains are not separable at very high temperatures for this alloy. C1 [Wang, Yanli; Sham, T. -L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Jetter, R. I.] RI Jetter Consulting, Pebble Beach, CA 93953 USA. RP Sham, TL (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd,POB 2008,MS-6155, Oak Ridge, TN 37831 USA. EM wangy3@ornl.gov; shamt@ornl.gov; bjetter@sbcglobal.net FU U.S. Department of Energy (DOE) [DE-AC05-00OR22725]; Oak Ridge National Laboratory FX The research was sponsored by the U.S. Department of Energy (DOE), under Contract No. DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. Programmatic direction was provided by the Office of Nuclear Energy, Small Modular Reactor Research, and Development Program. NR 11 TC 0 Z9 0 U1 1 U2 4 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 2015 VL 137 IS 3 AR 031009 DI 10.1115/1.4028476 PG 6 WC Engineering, Mechanical SC Engineering GA CH3YH UT WOS:000353966600010 ER PT J AU Christian, J Moya, A Ho, C Andraka, C Yuan, J AF Christian, Joshua Moya, Adam Ho, Clifford Andraka, Charles Yuan, James TI Probabilistic Analysis to Quantify Optical Performance and Error Budgets for Next Generation Heliostats SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article AB Current heliostats cost similar to$200/m(2) of reflective area and are estimated to contribute up to 50% of the total solar power tower plant costs. A drastic overall cost reduction is required in order for concentrated solar thermal power to be economically viable. The Department of Energy has set forth the SunShot initiative targeting a levelized cost of energy (LCOE) of $0.06/kWh by the year 2020. The cost of each heliostat must be brought down to an estimated $75/m(2) to achieve this rigorous goal. One of the driving aspects of heliostat design and cost are the heliostat optical errors. At the moment, it is relatively unclear about the amount of error that can be present in the system while still maintaining low cost and high optical accuracy. The optical errors present on heliostat mirror surfaces directly influence the plant LCOE by causing beam spillage. This can result in an increase in the number of heliostats, an increased receiver size, and decreased thermal efficiency. Assuming a fixed heliostat cost of $75/m(2), the effects of optical errors on LCOE were evaluated within the software DELSOL. From a probabilistic analysis, beam quality errors (i.e., slope error, alignment errors, etc.) were shown to have more importance on the LCOE than tracking errors. This determination resulted in a realization that the tracking errors and beam quality errors could be combined into a "bundled" root-sum-square (RSS) error value and produce similar results in DELSOL. A "bundled" error value of 2 mrad resulted in an LCOE of $0.06/kWh. This "bundled" value was the basis for a new optical error budget and is decomposed into five individual errors. These five errors can be used as design specifications for new generation heliostats. C1 [Christian, Joshua] Sandia Staffing Alliance, Concentrating Solar Technol Dept, Albuquerque, NM 87185 USA. [Moya, Adam; Ho, Clifford; Andraka, Charles; Yuan, James] Sandia Natl Labs, Concentrating Solar Technol Dept, Albuquerque, NM 87185 USA. RP Christian, J (reprint author), Sandia Staffing Alliance, Concentrating Solar Technol Dept, POB 5800,MS-1127, Albuquerque, NM 87185 USA. EM jmchris@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 7 TC 0 Z9 0 U1 3 U2 5 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 EI 1528-8986 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD JUN PY 2015 VL 137 IS 3 AR 031014 DI 10.1115/1.4029376 PG 8 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA CI2LB UT WOS:000354578000014 ER PT J AU Riley, D Hansen, C AF Riley, Daniel Hansen, Clifford TI Sun-Relative Pointing for Dual-Axis Solar Trackers Employing Azimuth and Elevation Rotations SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article AB We present an algorithm to calculate the azimuth and elevation angles for a dual axis tracker to be pointed away from the sun with a desired orientation between the sun and the tracker face. Desired tracker positions are specified in terms of angle of incidence (AOI) and AOI direction, i.e., the direction of the projection of the sun beam onto the plane of the tracker face. This algorithm was developed to enable characterization of the electro-optical response of photovoltaic (PV) and concentrating PV (CPV) modules with anisotropic response to AOI. C1 [Riley, Daniel; Hansen, Clifford] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Riley, D (reprint author), Sandia Natl Labs, POB 5800,MS 0951, Albuquerque, NM 87185 USA. EM driley@sandia.gov; cwhanse@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories was a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 8 TC 0 Z9 0 U1 2 U2 10 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 EI 1528-8986 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD JUN PY 2015 VL 137 IS 3 AR 031008 DI 10.1115/1.4029379 PG 6 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA CI2LB UT WOS:000354578000008 ER PT J AU Schollenberger, FS Kreith, F Burch, J AF Schollenberger, Frederick S. Kreith, Frank Burch, Jay TI Geographical Limitations on Integral Collector Storage Collectors Due to Freezing SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article AB Passive integral collector storage (ICS) solar water heaters can potentially heat water at lower costs then active systems with freeze protection. However, ICS panels can freeze in cold weather. This study developed a model relating the freeze behavior to climate conditions, validated the model experimentally and then ran the model with long term U.S. weather data to delineate regions safe for the passive solar heaters. Both, a single-and a double-glazed tubular ICS panels were modeled and tested. It was found that freezing begins when the water in the supply/return lines freezes and initiates a pressure build up in the collector which can eventually burst the large collector tubes when the water inside freezes and expands. It was found that freezing can be delayed by installing heat tape over the supply/return lines. Using a model of the collector and TMY2 weather data, correlation maps were developed to show in which regions of the U.S. ICS panels with and without heat tapes can be installed safely. C1 [Schollenberger, Frederick S.; Kreith, Frank] Univ Colorado, Mech Engn, Boulder, CO 80309 USA. [Burch, Jay] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Schollenberger, FS (reprint author), Univ Colorado, Mech Engn, Boulder, CO 80309 USA. EM scott.schollenberger@gmail.com; fkreith@comcast.net; jay.burch@nrel.gov NR 11 TC 0 Z9 0 U1 0 U2 1 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 EI 1528-8986 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD JUN PY 2015 VL 137 IS 3 AR 031003 DI 10.1115/1.4028913 PG 7 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA CI2LB UT WOS:000354578000003 ER PT J AU Yuan, JK Ho, CK Christian, JM AF Yuan, James K. Ho, Clifford K. Christian, Joshua M. TI Numerical Simulation of Natural Convection in Solar Cavity Receivers SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article AB Cavity receivers used in solar power towers and dish concentrators may lose considerable energy by natural convection, which reduces the overall system efficiency. A validated numerical receiver model is desired to better understand convection processes and aid in heat loss minimization efforts. The purpose of this investigation was to evaluate heat loss predictions using the commercial computational fluid dynamics (CFD) software packages FLUENT 13.0 and SOLIDWORKS FLOW SIMULATION 2011 against experimentally measured heat losses for a heated cubical cavity receiver model (Kraabel, 1983, "An Experimental Investigation of the Natural Convection From a Side-Facing Cubical Cavity," Proceedings of the ASME JSME Thermal Engineering Joint Conference, Vol. 1, pp. 299-306) and a cylindrical dish receiver model (Taumoefolau et al., 2004, "Experimental Investigation of Natural Convection Heat Loss From a Model Solar Concentrator Cavity Receiver," ASME J. Sol. Energy Eng., 126(2), pp. 801-807). Simulated convective heat loss was underpredicted by 45% for the cubical cavity when experimental wall temperatures were implemented as isothermal boundary conditions and 32% when the experimental power was applied as a uniform heat flux from the cavity walls. Agreement between software packages was generally within 10%. Convective heat loss from the cylindrical dish receiver model was accurately predicted within experimental uncertainties by both simulation codes using both isothermal and constant heat flux wall boundary conditions except when the cavity was inclined at angles below 15 deg and above 75 deg, where losses were under-and overpredicted by FLUENT and SOLIDWORKS, respectively. Comparison with empirical correlations for convective heat loss from heated cavities showed that correlations by Kraabel (1983, "An Experimental Investigation of the Natural Convection From a Side-Facing Cubical Cavity," Proceedings of the ASME JSME Thermal Engineering Joint Conference, Vol. 1, pp. 299-306) and for individual heated flat plates oriented to the cavity geometry (Pitts and Sissom, 1998, Schaum's Outline of Heat Transfer, 2nd ed., McGraw Hill, New York, p. 227) predicted heat losses from the cubical cavity to within experimental uncertainties. Correlations by Clausing (1987, "Natural Convection From Isothermal Cubical Cavities With a Variety of Side-Facing Apertures," ASME J. Heat Transfer, 109(2), pp. 407-412) and Paitoonsurikarn et al. (2011, "Numerical Investigation of Natural Convection Loss From Cavity Receivers in Solar Dish Applications," ASME J. Sol. Energy Eng. 133(2), p. 021004) were able to do the same for the cylindrical dish receiver. No single correlation was valid for both experimental receivers. The effect of different turbulence and air-property models within FLUENT were also investigated and compared in this study. However, no model parameter was found to produce a change large enough to account for the deficient convective heat loss simulated for the cubical cavity receiver case. C1 [Yuan, James K.; Ho, Clifford K.; Christian, Joshua M.] Sandia Natl Labs, Concentrating Solar Technol Dept, Albuquerque, NM 87185 USA. RP Yuan, JK (reprint author), Sandia Natl Labs, Concentrating Solar Technol Dept, POB 5800, Albuquerque, NM 87185 USA. EM jkyuan@sandia.gov; ckho@sandia.gov; jmchris@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 9 TC 0 Z9 0 U1 2 U2 18 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 EI 1528-8986 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD JUN PY 2015 VL 137 IS 3 AR 031004 DI 10.1115/1.4029106 PG 10 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA CI2LB UT WOS:000354578000004 ER PT J AU Kiser, PD Zhang, JY Badiee, M Li, QJ Shi, WX Sui, XW Golczak, M Tochtrop, GP Palczewski, K AF Kiser, Philip D. Zhang, Jianye Badiee, Mohsen Li, Qingjiang Shi, Wuxian Sui, Xuewu Golczak, Marcin Tochtrop, Gregory P. Palczewski, Krzysztof TI Catalytic mechanism of a retinoid isomerase essential for vertebrate vision SO NATURE CHEMICAL BIOLOGY LA English DT Article ID PIGMENT EPITHELIAL-CELLS; VISUAL CYCLE; CRYSTAL-STRUCTURE; KEY RESIDUES; VITAMIN-A; RPE65; ISOMERIZATION; ISOMEROHYDROLASE; PROTEIN; SPECIFICITY AB Visual function in vertebrates is dependent on the membrane-bound retinoid isomerase RPE65, an essential component of the retinoid cycle pathway that regenerates 11-cis-retinal for rod and cone opsins. The mechanism by which RPE65 catalyzes stereoselective retinoid isomerization has remained elusive because of uncertainty about how retinoids bind to its active site. Here we present crystal structures of RPE65 in complex with retinoid-mimetic compounds, one of which is in clinical trials for the treatment of age-related macular degeneration. The structures reveal the active site retinoid-binding cavity located near the membrane-interacting surface of the enzyme as well as an Fe-bound palmitate ligand positioned in an adjacent pocket. With the geometry of the RPE65-substrate complex clarified, we delineate a mechanism of catalysis that reconciles the extensive biochemical and structural research on this enzyme. These data provide molecular foundations for understanding a key process in vision and pharmacological inhibition of RPE65 with small molecules. C1 [Kiser, Philip D.; Zhang, Jianye; Sui, Xuewu; Golczak, Marcin; Palczewski, Krzysztof] Case Western Reserve Univ, Sch Med, Cleveland Ctr Membrane & Struct Biol, Dept Pharmacol, Cleveland, OH 44106 USA. [Badiee, Mohsen; Li, Qingjiang; Tochtrop, Gregory P.] Case Western Reserve Univ, Dept Chem, Cleveland, OH 44106 USA. [Shi, Wuxian] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Shi, Wuxian] Case Western Reserve Univ, Sch Med, Case Ctr Synchrotron Biosci, Cleveland, OH 44106 USA. RP Kiser, PD (reprint author), Case Western Reserve Univ, Sch Med, Cleveland Ctr Membrane & Struct Biol, Dept Pharmacol, Cleveland, OH 44106 USA. EM kxp65@case.edu FU US National Institutes of Health [EY023948, EY009339, EY021126, CA157735]; Department of Veterans Affairs [IK2BX002683]; National Science Foundation [MCB-084480]; Office of Biological and Environmental Research of US Department of Energy (DOE); National Center for Research Resources [P41RR012408]; National Institute of General Medical Sciences of National Institutes of Health [P41GM103473]; National Institute of Biomedical Imaging and Bioengineering [P30-EB-09998]; National Institute of General Medical Sciences [P41 GM103403]; DOE Office of Science [DE-AC02-06CH11357]; Office of Basic Energy Sciences of US Department of Energy (DOE) FX We thank L.T. Webster Jr. for helpful comments on this manuscript. This work was supported by funding from US National Institutes of Health grants EY023948 (M.G.), EY009339 (K.P.), EY021126 (K.P.) and CA157735 (G.P.T.), Department of Veterans Affairs IK2BX002683 (P.D.K.) and National Science Foundation MCB-084480 (G.P.T.). Data for this study were measured at beamline X29 of the National Synchrotron Light Source. Financial support came principally from the Offices of Biological and Environmental Research and of Basic Energy Sciences of the US Department of Energy (DOE) and from the National Center for Research Resources (P41RR012408), the National Institute of General Medical Sciences (P41GM103473) of the National Institutes of Health and the National Institute of Biomedical Imaging and Bioengineering (P30-EB-09998). We thank the staff at the Advanced Photon Source Northeastern Collaborative Access Team beamlines, supported by a grant from the National Institute of General Medical Sciences (P41 GM103403), for assistance with collection of preliminary diffraction data. This research used resources of the Advanced Photon Source, a US DOE Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under contract no. DE-AC02-06CH11357. K.P. is John H. Hord Professor of Pharmacology. NR 50 TC 8 Z9 8 U1 2 U2 21 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1552-4450 EI 1552-4469 J9 NAT CHEM BIOL JI Nat. Chem. Biol. PD JUN PY 2015 VL 11 IS 6 BP 409 EP + DI 10.1038/NCHEMBIO.1799 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CI1XW UT WOS:000354539400011 PM 25894083 ER PT J AU Wuddineh, WA Mazarei, M Zhang, JY Poovaiah, CR Mann, DGJ Ziebell, A Sykes, RW Davis, MF Udvardi, MK Stewart, CN AF Wuddineh, Wegi A. Mazarei, Mitra Zhang, Jiyi Poovaiah, Charleson R. Mann, David G. J. Ziebell, Angela Sykes, Robert W. Davis, Mark F. Udvardi, Michael K. Stewart, Charles Neal, Jr. TI Identification and overexpression of gibberellin 2-oxidase (GA2ox) in switchgrass (Panicum virgatum L.) for improved plant architecture and reduced biomass recalcitrance SO PLANT BIOTECHNOLOGY JOURNAL LA English DT Article DE gibberellin; gibberellin 2-oxidase; semi-dwarf; lignin; biofuel ID 2-OXIDASE GENE; ECTOPIC EXPRESSION; PHASEOLUS-COCCINEUS; BIOFUEL PRODUCTION; MOLECULAR-CLONING; GREEN-REVOLUTION; GIBBERELLIC-ACID; TISSUE-CULTURES; OVER-EXPRESSION; CELL-DIVISION AB Gibberellin 2-oxidases (GA2oxs) are a group of 2-oxoglutarate-dependent dioxygenases that catalyse the deactivation of bioactive GA or its precursors through 2-hydroxylation reaction. In this study, putatively novel switchgrass C(20)GA2ox genes were identified with the aim of genetically engineering switchgrass for improved architecture and reduced biomass recalcitrance for biofuel. Three C(20)GA2ox genes showed differential regulation patterns among tissues including roots, seedlings and reproductive parts. Using a transgenic approach, we showed that overexpression of two C20 GA2ox genes, that is PvGA2ox5 and PvGA2ox9, resulted in characteristic GA-deficient phenotypes with dark-green leaves and modified plant architecture. The changes in plant morphology appeared to be associated with GA2ox transcript abundance. Exogenous application of GA rescued the GA-deficient phenotypes in transgenic lines. Transgenic semi-dwarf lines displayed increased tillering and reduced lignin content, and the syringyl/guaiacyl lignin monomer ratio accompanied by the reduced expression of lignin biosynthetic genes compared to nontransgenic plants. A moderate increase in the level of glucose release in these transgenic lines might be attributed to reduced biomass recalcitrance as a result of reduced lignin content and lignin composition. Our results suggest that overexpression of GA2ox genes in switchgrass is a feasible strategy to improve plant architecture and reduce biomass recalcitrance for biofuel. C1 [Wuddineh, Wegi A.; Mazarei, Mitra; Poovaiah, Charleson R.; Mann, David G. J.; Stewart, Charles Neal, Jr.] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. [Wuddineh, Wegi A.; Mazarei, Mitra; Zhang, Jiyi; Poovaiah, Charleson R.; Mann, David G. J.; Ziebell, Angela; Sykes, Robert W.; Davis, Mark F.; Udvardi, Michael K.; Stewart, Charles Neal, Jr.] Oak Ridge Natl Lab, Bioenergy Sci Ctr, Oak Ridge, TN 37831 USA. [Zhang, Jiyi; Udvardi, Michael K.] Samuel Roberts Noble Fdn Inc, Div Plant Biol, Ardmore, OK 73401 USA. [Ziebell, Angela; Sykes, Robert W.; Davis, Mark F.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Stewart, CN (reprint author), Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. EM nealstewart@utk.edu RI Poovaiah, Charleson/C-6777-2012; OI davis, mark/0000-0003-4541-9852; Poovaiah, Charleson/0000-0001-7157-5176 FU BioEnergy Science Center; Office of Biological and Environmental Research in the DOE Office of Science; Tennessee Agricultural Experiment Station FX We thank Crissa Doeppke, Geoff Turner, Steve Decker, Melvin Tucker and Erica Gjersing for their assistance with lignin and sugar release assays. We also thank Susan Holladay for her assistance with data entry into LIMS. This work was supported by funding from the BioEnergy Science Center. The BioEnergy Science Center is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. We also thank Tennessee Agricultural Experiment Station for providing partial financial support for WW. NR 62 TC 8 Z9 8 U1 7 U2 35 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1467-7644 EI 1467-7652 J9 PLANT BIOTECHNOL J JI Plant Biotechnol. J. PD JUN PY 2015 VL 13 IS 5 BP 636 EP 647 DI 10.1111/pbi.12287 PG 12 WC Biotechnology & Applied Microbiology; Plant Sciences SC Biotechnology & Applied Microbiology; Plant Sciences GA CI2GD UT WOS:000354562700004 PM 25400275 ER PT J AU Ortiz, N Hammons, JA Cheong, S Skrabalak, SE AF Ortiz, Nancy Hammons, Joshua A. Cheong, Soshan Skrabalak, Sara E. TI Monitoring Ligand-Mediated Growth and Aggregation of Metal Nanoparticles and Nanodendrites by In Situ Synchrotron Scattering Techniques SO CHEMNANOMAT LA English DT Article DE branched; nanostructures; nucleation; palladium; shape control ID PLASMON RESONANCE SPECTROSCOPY; NANOCRYSTAL GROWTH; GOLD NANOPARTICLES; SHAPE CONTROL; NANOSTRUCTURES; NUCLEATION; CATALYSIS; SILVER; MONODISPERSE; ASSEMBLIES AB In situ synchrotron wide-angle X-ray scattering (WAXS) and ultra-small angle X-ray scattering (USAXS) were used to study the growth of Pd nanodendrites and quasi-spherical Pd nanoparticles. The metal-ligand environments of both the precursors and growing nanoparticles contribute to nanostructure formation. Specifically, the use of Pd(hfac)(2) (hfac=hexafluoroacetylacetonate) as a precursor facilitated nanostructure formation more facilely compared to Pd(acac)(2) (acac=acetylacetonate), as quantified by in situ WAXS. This enhanced rate is attributed to the better leaving group properties of the hfac(-) ligands, and this result demonstrates that fundamental principles from coordination chemistry can guide the selection of precursors in nanomaterial syntheses. This in situ approach also revealed concomitant nucleation, coalescence, and growth processes during the synthesis of monodisperse Pd nanoparticles. Significantly, this finding identifies self-limited growth mediated by the local ligand environment of the particles as the central means of size distribution control and contradicts the typically cited mechanism (LaMer-like growth) for such chemical systems. These observations highlight the importance of applying in situ approaches to study nanostructure formation as intertwined processes can be revealed. C1 [Ortiz, Nancy; Skrabalak, Sara E.] Indiana Univ, Dept Chem, 800 E Kirkwood Ave, Bloomington, IN 47405 USA. [Hammons, Joshua A.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Cheong, Soshan] Victoria Univ Wellington, MacDiarmid Inst Adv Mat & Nanotechnol, Sch Chem & Phys Sci, Wellington 6012, New Zealand. RP Skrabalak, SE (reprint author), Indiana Univ, Dept Chem, 800 E Kirkwood Ave, Bloomington, IN 47405 USA. EM sskrabal@indiana.edu FU ACS GREET Program; NSF [CHE-1306853]; National Science Foundation/Department of Energy [NSF/CHE-0822838]; U.S. DOE [DE-AC02-06CH11357] FX N. Ortiz research exchange with Victoria University supported by the ACS GREET Program. Special thanks to Prof. Richard D. Tilley for hosting her visit. Authors also thank Dr. M. Pink (IU Molecular Structure Center) for her guidance. Project supported by NSF CHE-1306853. S. Skrabalak is a Cottrell Scholar (Research Corporation), Sloan Research Fellow, and Camille Dreyfus Teacher-Scholar Awardee. ChemMatCARS Sector 15 is principally supported by the National Science Foundation/Department of Energy under grant number NSF/CHE-0822838. Use of the Advanced Photon Source, 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. Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource, a national user facility, operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. N.O. built reactor, tested syntheses, directed experiments at both beamlines, and wrote ACS GREET proposal. J.A.H. modeled USAXS data and assisted in analysis. S.C. assisted in reactor design and wrote proposal for Stanford Synchrotron Radiation Lightsource. S.E.S. provided project management, assisted in beamline experiments, and wrote proposal for Advanced Photon Source. All assisted in manuscript preparation. NR 40 TC 1 Z9 1 U1 3 U2 3 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY EI 2199-692X J9 CHEMNANOMAT JI ChemNanoMat PD JUN PY 2015 VL 1 IS 2 BP 109 EP 114 DI 10.1002/cnma.201500006 PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DW2HG UT WOS:000383462900005 ER PT J AU Horner, AL Hall, AC McCloskey, JF AF Horner, Allison Lynne Hall, Aaron Christopher McCloskey, James Francis TI The Effect of Process Parameters on Twin Wire Arc Spray Pattern Shape SO COATINGS LA English DT Article DE wire arc spray; spray pattern shape; zinc ID COATINGS; MICROSTRUCTURE; ALUMINUM AB A design of experiments approach was used to describe process parameter-spray pattern relationships in the Twin Wire Arc process using zinc feed stock in a TAFA 8835 (Praxair, Concord, NH, USA) spray torch. Specifically, the effects of arc current, primary atomizing gas pressure, and secondary atomizing gas pressure on spray pattern size, spray pattern flatness, spray pattern eccentricity, and coating deposition rate were investigated. Process relationships were investigated with the intent of maximizing or minimizing each coating property. It was determined that spray pattern area was most affected by primary gas pressure and secondary gas pressure. Pattern eccentricity was most affected by secondary gas pressure. Pattern flatness was most affected by primary gas pressure. Coating deposition rate was most affected by arc current. C1 [Horner, Allison Lynne; Hall, Aaron Christopher; McCloskey, James Francis] Sandia Natl Labs, Multiscale Met Sci & Technol, POB 5800,MS1130, Albuquerque, NM 87185 USA. RP Hall, AC (reprint author), Sandia Natl Labs, Multiscale Met Sci & Technol, POB 5800,MS1130, Albuquerque, NM 87185 USA. EM allijohnston@gmail.com; achall@sandia.gov; jfmcclo@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 14 TC 0 Z9 0 U1 2 U2 2 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2079-6412 J9 COATINGS JI Coatings PD JUN PY 2015 VL 5 IS 2 BP 115 EP 123 DI 10.3390/coatings5020115 PG 9 WC Materials Science, Coatings & Films SC Materials Science GA DN7JV UT WOS:000377252500002 ER PT J AU Kelly, M Schindelholz, E O'Dwyer, C Pile, D AF Kelly, Mike Schindelholz, Eric O'Dwyer, Colm Pile, Donald TI Enhanced Electro-Optical Properties of Electrically Controlled Birefringence Cells SO ELECTROCHEMICAL SOCIETY INTERFACE LA English DT Editorial Material C1 [Kelly, Mike; Schindelholz, Eric] Sandia Natl Labs, Livermore, CA 94550 USA. [O'Dwyer, Colm] Natl Univ Ireland Univ Coll Cork, Cork, Ireland. [Pile, Donald] Nexeon Ltd, Didcot, Oxon, England. RP Kelly, M (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1064-8208 EI 1944-8783 J9 ELECTROCHEM SOC INTE JI Electrochem. Soc. Interface PD SUM PY 2015 VL 24 IS 2 BP 35 EP 35 PG 1 WC Electrochemistry SC Electrochemistry GA DM7SO UT WOS:000376560500007 ER PT J AU Kelly, M Schindelholz, E O'Dwyer, C Pile, D AF Kelly, Mike Schindelholz, Eric O'Dwyer, Colm Pile, Donald TI Synthesis and Electron Microscopy of Superalloy Nanowires SO ELECTROCHEMICAL SOCIETY INTERFACE LA English DT Editorial Material C1 [Kelly, Mike; Schindelholz, Eric] Sandia Natl Labs, Livermore, CA 94550 USA. [O'Dwyer, Colm] Natl Univ Ireland Univ Coll Cork, Cork, Ireland. [Pile, Donald] Nexeon Ltd, Didcot, Oxon, England. RP Kelly, M (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1064-8208 EI 1944-8783 J9 ELECTROCHEM SOC INTE JI Electrochem. Soc. Interface PD SUM PY 2015 VL 24 IS 2 BP 35 EP 35 PG 1 WC Electrochemistry SC Electrochemistry GA DM7SO UT WOS:000376560500006 ER PT J AU Kelly, M Schindelholz, E O'Dwyer, C Pile, D AF Kelly, Mike Schindelholz, Eric O'Dwyer, Colm Pile, Donald TI An Electrochemical Method for Measuring Localized Corrosion under Cathodic Protection SO ELECTROCHEMICAL SOCIETY INTERFACE LA English DT Editorial Material C1 [Kelly, Mike; Schindelholz, Eric] Sandia Natl Labs, Livermore, CA 94550 USA. [O'Dwyer, Colm] Natl Univ Ireland Univ Coll Cork, Cork, Ireland. [Pile, Donald] Nexeon Ltd, Didcot, Oxon, England. RP Kelly, M (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1064-8208 EI 1944-8783 J9 ELECTROCHEM SOC INTE JI Electrochem. Soc. Interface PD SUM PY 2015 VL 24 IS 2 BP 35 EP 35 PG 1 WC Electrochemistry SC Electrochemistry GA DM7SO UT WOS:000376560500005 ER PT J AU Kelly, M Schindelholz, E O'Dwyer, C Pile, D AF Kelly, Mike Schindelholz, Eric O'Dwyer, Colm Pile, Donald TI Understanding Artifacts in Impedance Spectroscopy SO ELECTROCHEMICAL SOCIETY INTERFACE LA English DT Editorial Material C1 [Kelly, Mike; Schindelholz, Eric] Sandia Natl Labs, Livermore, CA 94550 USA. [O'Dwyer, Colm] Natl Univ Ireland Univ Coll Cork, Cork, Ireland. [Pile, Donald] Nexeon Ltd, Didcot, Oxon, England. RP Kelly, M (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1064-8208 EI 1944-8783 J9 ELECTROCHEM SOC INTE JI Electrochem. Soc. Interface PD SUM PY 2015 VL 24 IS 2 BP 35 EP 35 PG 1 WC Electrochemistry SC Electrochemistry GA DM7SO UT WOS:000376560500003 ER PT J AU Kelly, M Schindelholz, E O'Dwyer, C Pile, D AF Kelly, Mike Schindelholz, Eric O'Dwyer, Colm Pile, Donald TI Effects of Pb Doping on Hole Transport Properties and Thin-Film Transistor Characteristics of SnO Thin Films SO ELECTROCHEMICAL SOCIETY INTERFACE LA English DT Editorial Material C1 [Kelly, Mike; Schindelholz, Eric] Sandia Natl Labs, Livermore, CA 94550 USA. [O'Dwyer, Colm] Natl Univ Ireland Univ Coll Cork, Cork, Ireland. [Pile, Donald] Nexeon Ltd, Didcot, Oxon, England. RP Kelly, M (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 1 U2 2 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1064-8208 EI 1944-8783 J9 ELECTROCHEM SOC INTE JI Electrochem. Soc. Interface PD SUM PY 2015 VL 24 IS 2 BP 35 EP 35 PG 1 WC Electrochemistry SC Electrochemistry GA DM7SO UT WOS:000376560500004 ER PT J AU Herring, AM Di Noto, V AF Herring, Andrew M. Di Noto, Vito TI Electrochemical Energy Conversion SO ELECTROCHEMICAL SOCIETY INTERFACE LA English DT Editorial Material C1 [Herring, Andrew M.] Colorado Sch Mines, Chem & Biol Engn, Golden, CO 80401 USA. [Herring, Andrew M.] CALTECH, Pasadena, CA 91125 USA. [Herring, Andrew M.] NREL, Golden, CO USA. [Di Noto, Vito] Univ Padua, Dept Chem Sci, Chem Energy & Solid State Chem, I-35100 Padua, Italy. [Di Noto, Vito] Chem Mat Metamorphosis & Storage Energy CheMaMSE, Padua, Italy. RP Herring, AM (reprint author), ECS, Div Energy Technol, London, England. EM aherring@mines.edu; vito.dinoto@unipd.it OI Herring, Andrew/0000-0001-7318-5999; DI NOTO, VITO/0000-0002-8030-6979 NR 0 TC 0 Z9 0 U1 1 U2 1 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1064-8208 EI 1944-8783 J9 ELECTROCHEM SOC INTE JI Electrochem. Soc. Interface PD SUM PY 2015 VL 24 IS 2 BP 37 EP 37 DI 10.1149/2.F01152IF PG 1 WC Electrochemistry SC Electrochemistry GA DM7SO UT WOS:000376560500008 ER PT J AU Renner, JN Greenlee, LF Herring, AM Ayers, KE AF Renner, Julie N. Greenlee, Lauren F. Herring, Andrew M. Ayers, Katherine E. TI Electrochemical Synthesis of Ammonia: A Low Pressure, Low Temperature Approach SO ELECTROCHEMICAL SOCIETY INTERFACE LA English DT Article ID OXYGEN REDUCTION REACTION; ANION-EXCHANGE MEMBRANE; ATMOSPHERIC-PRESSURE; FUEL-CELL; HYDROXIDE SUSPENSIONS; AMBIENT-TEMPERATURE; TRANSITION-METALS; NANOSCALE FE2O3; NAFION MEMBRANE; NANOPARTICLES C1 [Renner, Julie N.] Proton OnSite, Dept Res & Dev, Wallingford, CT 06492 USA. [Renner, Julie N.] Purdue Sch Chem Engn, Lafayette, IN USA. [Renner, Julie N.] Proton Energy Syst, London, England. [Greenlee, Lauren F.] NIST, Tokyo, Japan. [Ayers, Katherine E.] Proton OnSite, Wallingford, CT USA. [Herring, Andrew M.] Colorado Sch Mines, Biol Engn, Golden, CO 80401 USA. [Herring, Andrew M.] CALTECH, Pasadena, CA 91125 USA. [Herring, Andrew M.] NREL, Golden, CO USA. RP Renner, JN (reprint author), Proton OnSite, Dept Res & Dev, Wallingford, CT 06492 USA. EM jrenner@protononsite.com; lauren.greenlee@nist.gov; aherring@mines.edu; kayers@protononsite.com OI Ayers, Katherine/0000-0003-3246-1744; Greenlee, Lauren/0000-0001-6147-1533; Herring, Andrew/0000-0001-7318-5999 NR 49 TC 1 Z9 1 U1 19 U2 32 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1064-8208 EI 1944-8783 J9 ELECTROCHEM SOC INTE JI Electrochem. Soc. Interface PD SUM PY 2015 VL 24 IS 2 BP 51 EP 57 PG 7 WC Electrochemistry SC Electrochemistry GA DM7SO UT WOS:000376560500011 ER PT J AU Marinozzi, V Ambrosio, G Bellomo, G Chlachidze, G Felice, H Marchevsky, M Salmi, T Sorbi, M Todesco, E AF Marinozzi, Vittorio Ambrosio, Giorgio Bellomo, Giovanni Chlachidze, Guram Felice, Helene Marchevsky, Maxim Salmi, Tiina Sorbi, Massimo Todesco, Ezio TI Study of Quench Protection for the Nb3Sn Low-beta Quadrupole for the LHC Luminosity Upgrade (HiLumi-LHC) SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Niobium compounds; quench protection; superconducting accelerators AB The HiLumi program is aiming to develop and build new Nb3Sn, high-field (12 T), and large-aperture (150 mm) superconducting quadrupoles, which will be inserted in the LHC interaction regions and will provide the final focusing of the beam, in the program of luminosity upgrade. The quench protection of these magnets is one of the most challenging aspects, mainly because of the large value of the magnet inductance (160 mH for the configuration with two 8-m-long magnets in series), of the large value of the stored magnetic energy density in the coils (0.12 J/mm(3), a factor 2 larger than in the conventional NbTi quadrupoles) and of the use of Nb3Sn as a conductor, which has never been used for large acceleratormagnets. Previous works have demonstrated that a "standard" conservative analysis, assuming quench heaters only on the coils' outer layer, gives high hot-spot temperature, close to the design limit (350 K). In this paper, a new study of quench protection is presented. The benefic effects of large dI/dt during the discharge and other dynamic effects are discussed together with options for having a partial coverage of the inner layer by quench heaters. The analysis is validated by experimental data from R&D Nb3Sn quadrupole magnets. C1 [Marinozzi, Vittorio; Bellomo, Giovanni; Sorbi, Massimo] Univ Milan, I-20090 Milan, Italy. [Marinozzi, Vittorio; Bellomo, Giovanni; Sorbi, Massimo] INFN LASA, I-20090 Milan, Italy. [Ambrosio, Giorgio; Chlachidze, Guram] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Felice, Helene; Marchevsky, Maxim] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Salmi, Tiina] Tampere Univ Technol, Tampere, Finland. [Todesco, Ezio] CERN, TE Dept, CH-1211 Geneva, Switzerland. RP Marinozzi, V (reprint author), Univ Milan, I-20090 Milan, Italy. EM vittorio.marinozzi@mi.infn.it; giorgioa@fnal.gov; mmartchevskii@lbl.gov; tiina.salmi@tut.fi; 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, GA no. 284404; by the DoE, USA; and by KEK, Japan. NR 16 TC 8 Z9 8 U1 0 U2 0 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 2015 VL 25 IS 3 AR 4002905 DI 10.1109/TASC.2014.2383435 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DW1DK UT WOS:000383382900001 ER PT J AU Weisbach, D AF Weisbach, David TI Introduction: Legal Decision Making under Deep Uncertainty SO JOURNAL OF LEGAL STUDIES LA English DT Editorial Material ID AMBIGUITY AVERSION; MODEL C1 [Weisbach, David] Univ Chicago, Sch Law, Law & Econ, Chicago, IL 60637 USA. [Weisbach, David] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Weisbach, David] Argonne Natl Lab, Argonne, IL 60439 USA. RP Weisbach, D (reprint author), Univ Chicago, Sch Law, Law & Econ, Chicago, IL 60637 USA. NR 19 TC 0 Z9 0 U1 0 U2 0 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0047-2530 EI 1537-5366 J9 J LEGAL STUD JI J. Legal Stud. PD JUN PY 2015 VL 44 SU 2 BP S319 EP S335 PG 17 WC Law SC Government & Law GA DQ1HA UT WOS:000378950900001 ER PT J AU Baryshev, SV Riha, SC Zinovev, AV AF Baryshev, Sergey V. Riha, Shannon C. Zinovev, Alexander V. TI Solar Absorber Cu2ZnSnS4 and its Parent Multilayers ZnS/SnS2/Cu2S Synthesized by Atomic Layer Deposition and Analyzed by X-ray Photoelectron Spectroscopy SO SURFACE SCIENCE SPECTRA LA English DT Article DE Cu2ZnSnS4; Cu2S; ZnS; SnS2; atomic layer deposition; x-ray photoelectron spectroscopy; multilayer; solar absorber; thin film ID THIN-FILMS; SULFIDE; PHOTOVOLTAICS; COPPER; STATES; XPS AB Presented here are results of x-ray photoelectron spectroscopy (XPS) on multilayers of metalsulfide binaries ZnS, SnS2, and Cu2S grown by atomic layer deposition (ALD) on Si substrates, and of Cu2ZnSnS4 (CZTS) formed upon 450 degrees C annealing of the parent multilayer ZnS/SnS2/Cu2S. Survey and detailed spectral analysis of the multilayer ZnS/SnS2/Cu2S are presented step-wise, as each layer was sequentially added by ALD. The set of data is finalized with spectra of the resulting alloy CZTS. XPS analyses indicate significant mixing between SnS2 and Cu2S, which favors CZTS formation within the ALD approach. (C) 2015 American Vacuum Society. C1 [Baryshev, Sergey V.] Euclid TechLabs, 365 Remington Blvd, Bolingbrook, IL 60440 USA. [Riha, Shannon C.] Univ Wisconsin, Dept Chem, 2100 Main St, Stevens Point, WI 54481 USA. [Zinovev, Alexander V.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Baryshev, SV (reprint author), Euclid TechLabs, 365 Remington Blvd, Bolingbrook, IL 60440 USA. FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Awards under the EERE Solar Program; DOE [DE-AC05-06OR23100] FX This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.; SCR was supported in part by the Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research Awards under the EERE Solar Program administered by the Oak Ridge Institute for Science and Education (ORISE) for the DOE. ORISE is managed by Oak Ridge Associated Universities (ORAU) under DOE contract number DE-AC05-06OR23100. NR 16 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1055-5269 EI 1520-8575 J9 SURF SCI SPECTRA JI Surf. Sci. Spectra PD JUN PY 2015 VL 22 IS 1 BP 81 EP 99 DI 10.1116/1.4922822 PG 19 WC Physics, Condensed Matter SC Physics GA EI5IW UT WOS:000392528600007 ER PT J AU Schoeppner, RL Goeke, RS Moody, NR Bahr, DF AF Schoeppner, R. L. Goeke, R. S. Moody, N. R. Bahr, D. F. TI Mechanical and electrical performance of thermally stable Au-ZnO films SO ACTA MATERIALIA LA English DT Article DE Oxide dispersion strengthening; Annealing; Electrical resistivity; Nanoindentation ID GRAIN-SIZE STABILIZATION; FREESTANDING GOLD-FILMS; THIN-FILMS; NANOCRYSTALLINE MATERIALS; TENSILE BEHAVIOR; MEMS SWITCHES; STRAIN-RATE; DEFORMATION; STRESS; GROWTH AB The mechanical properties, thermal stability, and electrical performance of Au-ZnO composite thin films are determined in this work. The co-deposition of ZnO with Au via physical vapor deposition leads to grain refinement over that of pure Au; the addition of 0.1 vol.% ZnO reduces the as-grown grain size by over 30%. The hardness of the as-grown films doubles with 2% ZnO, from 1.8 to 3.6 GPa as measured by nanoindentation. Films with ZnO additions greater than 0.5% show no significant grain growth after annealing at 350 degrees C, while pure gold and smaller additions do exhibit grain growth and subsequent mechanical softening. Films with 1% and 2% ZnO show a decrease of approximately 50% in electrical resistivity and no change in hardness after annealing. A model accounting for both changes in the interface structure between dispersed ZnO particles and the Au matrix captures the changes in mechanical and electrical resistivity. The addition of 1-2% ZnO co-deposited with Au provides a method to create mechanically hard and thermally stable films with a resistivity less than 80 n Omega-m. These results complement previous studies of other alloying systems, suggesting oxide dispersion strengthened (ODS) gold shows a desirable hardness resistivity relationship that is relatively independent of the particular ODS chemistry. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Schoeppner, R. L.] Washington State Univ, Mat Sci & Engn Program, Pullman, WA 99163 USA. [Goeke, R. S.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Moody, N. R.] Sandia Natl Labs, Livermore, CA 94588 USA. [Bahr, D. F.] Purdue Univ, Mat Engn, W Lafayette, IN 47907 USA. RP Bahr, DF (reprint author), Purdue Univ, Mat Engn, W Lafayette, IN 47907 USA. EM dfbahr@purdue.edu RI Bahr, David/A-6521-2012 OI Bahr, David/0000-0003-2893-967X FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Assistance from Drs. Megan Cordill and Daniel Kiener at the Erich Schmitt Institute in Leoben, Austria with wafer curvature testing is greatly appreciated. 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 55 TC 0 Z9 0 U1 2 U2 38 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 1 PY 2015 VL 91 BP 1 EP 9 DI 10.1016/j.actamat.2015.03.024 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CH6NX UT WOS:000354154400001 ER PT J AU Low, TSE Brown, DW Welk, BA Cerreta, EK Okasinski, JS Niezgoda, SR AF Low, T. S. E. Brown, D. W. Welk, B. A. Cerreta, E. K. Okasinski, J. S. Niezgoda, S. R. TI Isothermal annealing of shocked zirconium: Stability of the two-phase alpha/omega microstructure SO ACTA MATERIALIA LA English DT Article DE Zirconium; Synchrotron diffraction; High pressure; Phase transformation; Annealing ID HIGH-PRESSURE TORSION; PHASE-TRANSFORMATION; PURE ZIRCONIUM; OMEGA-PHASES; ALPHA-PHASES; X-RAYS; ZR; TITANIUM; BEHAVIOR; TEXTURE AB Under high pressure conditions, Zr undergoes a phase transformation from its ambient equilibrium hexagonal close packed a phase to hexagonal omega phase. Upon returning to ambient conditions, the material displays hysteretic behavior, retaining a significant amount of metastable omega phase. This study presents an in situ synchrotron X-ray diffraction analysis of Zr samples shock-loaded to compressive peak stresses of 8 and 10.5 GPa and then annealed at temperatures of 443, 463, 483, and 503 K. The evolution of the alpha phase volume fraction was tracked quantitatively, and the dislocation densities in both phases were tracked qualitatively during annealing. Upon heating, the reverse transformation of omega -> alpha does not go to completion, but instead reaches a new metastable state. The initial rate of transformation is faster at higher temperatures. Samples shock-loaded to higher peak pressures experienced higher initial transformation rates and more extensive transformation. Dislocation content in both phases was observed to be high in the as-shocked samples. Annealing the samples reduces the dislocation content in both phases, with the reduction being lesser in the omega phase, leading to the postulation that transformation from omega -> alpha is restricted by the pinning effect of dislocation structures within the omega phase. Electron backscatter diffraction analysis affirmed that the expected (0 0 0 1)(alpha)parallel to (1 0 (1) over bar 1)(omega) and [1 0 (1) over bar 0](alpha)parallel to[1 1 (2) over bar (3) over bar]. orientation relationship is maintained during nucleation and growth of the a phase during the annealing. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Low, T. S. E.; Niezgoda, S. R.] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA. [Brown, D. W.; Cerreta, E. K.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Welk, B. A.] Ohio State Univ, Ctr Accelerated Maturat Mat, Columbus, OH 43210 USA. [Okasinski, J. S.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Niezgoda, S. R.] Ohio State Univ, Dept Mech & Aerosp Engn, Columbus, OH 43210 USA. RP Niezgoda, SR (reprint author), Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA. EM niezgoda.6@osu.edu RI Niezgoda, Stephen/I-6750-2013 OI Niezgoda, Stephen/0000-0002-7123-466X FU LDRD program; DOE [DE-AC52-06NA25396, DE-AC02-06CH1135]; Center for the Accelerated Maturation of Materials, The Ohio State University, Columbus, OH, USA FX This work was supported by LDRD program funding at LANL. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US DOE Office of Science by Argonne National Laboratory, was supported by the DOE under contract No. DE-AC02-06CH1135. SRN and BAW received additional support from the Center for the Accelerated Maturation of Materials, The Ohio State University, Columbus, OH 43210, USA. The authors would like to thank Ms. Laura Turcer and Ms. Elizabeth Krill for their assistance in preparing the samples for EBSD. NR 44 TC 1 Z9 1 U1 2 U2 31 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 1 PY 2015 VL 91 BP 101 EP 111 DI 10.1016/j.actamat.2015.03.031 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CH6NX UT WOS:000354154400011 ER PT J AU Provino, A Gschneidner, KA Dhar, SK Ferdeghini, C Mudryk, Y Manfrinetti, P Paudyal, D Pecharsky, VK AF Provino, A. Gschneidner, K. A., Jr. Dhar, S. K. Ferdeghini, C. Mudryk, Y. Manfrinetti, P. Paudyal, D. Pecharsky, V. K. TI The nano-microfibrous R11Ni4In9 intermetallics: New compounds and extraordinary anisotropy in Tb11Ni4In9 and Dy11Ni4In9 SO ACTA MATERIALIA LA English DT Article DE Rare earth intermetallics; Nanowires; Magnetic shape anisotropy; Fiber compounds; Ferrimagnetic ordering ID MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURE; TM; LU; GD; SM; ND AB R11Ni4In9 (R = rare earth) compounds exhibit an unusual self-assembled nano/microfibrous morphology that results in anisotropic structural and magnetic behaviors. The existence of new compounds for R = Dy, Ho, Er, Tm and Lu, has been established (orthorhombic Nd(11)Pd(4)In(9)type, oC48, Cmmm, Z = 2), showing that the formation of these phases, previously known for R = La-Nd, Sm, Gd, Tb and Y, extends to all of the rare earth elements, except Sc, Eu and Yb. The results of physical property measurements performed on oriented fibers of Tb11Ni4In9, Dy11Ni4In9 and Y11Ni4In9 are presented. Multiple magnetic transitions are observed in Tb11Ni4In9 and Dy11Ni4In9 with the highest ordering temperature, T-C, of 112 and 88 K, respectively. Y11Ni4In9 is a Pauli paramagnet down to 2 K. The fibrous microstructure of these compounds leads to a strong anisotropy in their electrical resistivity and magnetization behaviors. The c-axis of the orthorhombic cell is the easy magnetization and high electrical-conductivity direction. Ferrimagnetic-like behavior, with extremely high coercive fields (H-C = 6.6 T for Tb11Ni4In9 at 5K and H-C = 5.7 T for Dy11Ni4In9 at 2 K), is found when the fibers (and the c-axis) are oriented parallel to the magnetic field direction; antiferromagnetic-like ground state is observed with the fibers oriented orthogonal (i.e., in the a-b plane). Appearance of a Griffiths phase regime is observed in both compounds before entering the ordered magnetic states. This is more evident for fibers orthogonal to the magnetic field and is even preserved at 1 T. Field induced spin-flop magnetic transitions are also observed in Tb11Ni4In9 and Dy11Ni4In9 with fibers orthogonal and parallel to the field, respectively. First principles calculations have been performed for several representative compounds to explain the underlying phase stability and their magnetism. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Provino, A.; Gschneidner, K. A., Jr.; Mudryk, Y.; Manfrinetti, P.; Paudyal, D.; Pecharsky, V. K.] Iowa State Univ, Div Mat Sci & Engn, US DOE, Ames Lab, Ames, IA 50011 USA. [Provino, A.; Manfrinetti, P.] Univ Genoa, Dept Chem, I-16146 Genoa, Italy. [Provino, A.; Ferdeghini, C.; Manfrinetti, P.] Inst SPIN CNR, I-16152 Genoa, Italy. [Gschneidner, K. A., Jr.; Pecharsky, V. K.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Dhar, S. K.] TIFR, Dept Condensed Matter Phys & Mat Sci, Bombay 400005, Maharashtra, India. RP Provino, A (reprint author), Univ Genoa, Dept Chem, Via Dodecaneso 31, I-16146 Genoa, Italy. EM alessia.sting@hotmail.it FU U.S. Department of Energy [DE-AC02-07CH11358]; Office of Basic Energy Sciences, Materials Science Engineering Division of the Office of Science; Institute SPIN-CNR; Regione Liguria [N0005849] FX The Ames Laboratory is operated by Iowa State University of Science and Technology for the U.S. Department of Energy, under Contract No. DE-AC02-07CH11358. This work was supported the Office of Basic Energy Sciences, Materials Science Engineering Division of the Office of Science. A. Provino like to thank the Institute SPIN-CNR and Regione Liguria supporting the research leave in 2013 and 2014, under No. N0005849. NR 27 TC 2 Z9 2 U1 1 U2 17 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 1 PY 2015 VL 91 BP 128 EP 140 DI 10.1016/j.actamat.2015.03.003 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CH6NX UT WOS:000354154400013 ER PT J AU Garcia-Mateo, C Jimenez, JA Yen, HW Miller, MK Morales-Rivas, L Kuntz, M Ringer, SP Yang, JR Caballero, FG AF Garcia-Mateo, C. Jimenez, J. A. Yen, H. -W. Miller, M. K. Morales-Rivas, L. Kuntz, M. Ringer, S. P. Yang, J. -R. Caballero, F. G. TI Low temperature bainitic ferrite: Evidence of carbon super-saturation and tetragonality SO ACTA MATERIALIA LA English DT Article DE Tetragonal bainitic ferrite; Nanostructured bainite; Atom probe tomography; High resolution transmission electron microscopy; X-ray diffraction ID ATOM-PROBE; STEEL; MARTENSITE; AUSTENITE; MICROSTRUCTURES; TRANSFORMATION; DISLOCATION; REFINEMENT; EVOLUTION; SILICON AB Experimental evidence indicates that bainitic ferrite formed by transformation at low temperatures (200-350 degrees C) contains quantities of carbon in solid solution far beyond those expected from para-equilibrium. A change in the conventional symmetry of the bainitic ferrite lattice from cubic to tetragonal explains the abnormal solid solubility detected. This carbon supersaturation was measured by atom probe tomography, and the tetragonality of the bainitic ferrite, was characterized by means of X-ray diffraction analysis and high resolution transmission electron microscopy. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Garcia-Mateo, C.; Jimenez, J. A.; Morales-Rivas, L.; Caballero, F. G.] CENIM CSIC, Natl Ctr Met Res, Dept Met Phys, E-28040 Madrid, Spain. [Yen, H. -W.; Yang, J. -R.] Natl Taiwan Univ, Dept Mat Sci & Engn, Taipei 10617, Taiwan. [Yen, H. -W.; Ringer, S. P.] Univ Sydney, Australian Ctr Microscopy & Microanal, Sydney, NSW 2006, Australia. [Yen, H. -W.; Ringer, S. P.] Univ Sydney, Sch Aerosp, Mech, Mechatron Engn, Sydney, NSW 2006, Australia. [Miller, M. K.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Kuntz, M.] Robert Bosch GmbH, Mat & Proc Engn Met, D-70465 Stuttgart, Germany. RP Garcia-Mateo, C (reprint author), CENIM CSIC, Natl Ctr Met Res, Dept Met Phys, Avda Gregorio del Amo 8, E-28040 Madrid, Spain. EM cgm@cenim.csic.es RI CABALLERO, FRANCISCA/A-4292-2008; Jimenez, Jose/H-2644-2015; Garcia-Mateo, Carlos/A-7752-2008; OI Jimenez, Jose/0000-0003-4272-6873; Garcia-Mateo, Carlos/0000-0002-4773-5077; Kuntz, Matthias/0000-0001-7195-9989 FU European Research Fund for Coal and Steel; Spanish Ministry of Economy and Competitiveness; Fondo Europeo de Desarrollo Regional (FEDER) [RFSR-CT-2012-00017, MAT2013-47460-C5-1-P]; Australian Research Council FX The authors gratefully acknowledge the support of the European Research Fund for Coal and Steel, the Spanish Ministry of Economy and Competitiveness and the Fondo Europeo de Desarrollo Regional (FEDER) for partially funding this research under the contracts RFSR-CT-2012-00017 and MAT2013-47460-C5-1-P respectively. LM-R also acknowledges this same Ministry for financial support in the form of a PhD research Grant (FPI). Atom probe tomography was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. The work was also partly supported by the Australian Research Council, and the technical and scientific assistance of staff at the University of Sydney node of the Australian Microscopy & Microanaylsis Research Facility (ammrf.org.au) (Sydney Microscopy & Microanalysis) is gratefully appreciated. NR 49 TC 18 Z9 18 U1 7 U2 45 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 1 PY 2015 VL 91 BP 162 EP 173 DI 10.1016/j.actamat.2015.03.018 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CH6NX UT WOS:000354154400016 ER PT J AU Hu, MS Wang, Y Rutqvist, J AF Hu, Mengsu Wang, Yuan Rutqvist, Jonny TI On continuous and discontinuous approaches for modeling groundwater flow in heterogeneous media using the Numerical Manifold Method: Model development and comparison SO ADVANCES IN WATER RESOURCES LA English DT Article DE Refraction law; Dirichlet boundary condition; Numerical Manifold Method; Lagrange multiplier method; Jump Function Method; Heterogeneous media ID FINITE-ELEMENT-METHOD; POROUS-MEDIA; GALERKIN METHODS; COVER METHOD; DIFFUSION-PROBLEMS; SIMULATION; SOLIDS; COMPUTATIONS; DISPERSION; PARTITION AB One major challenge in modeling groundwater flow within heterogeneous geological media is that of modeling arbitrarily oriented or intersected boundaries and inner material interfaces. The Numerical Manifold Method (NMM) has recently emerged as a promising method for such modeling, in its ability to handle boundaries, its flexibility in constructing physical cover functions (continuous or with gradient jump), its meshing efficiency with a fixed mathematical mesh (covers), its convenience for enhancing approximation precision, and its integration precision, achieved by simplex integration. In this paper, we report on developing and comparing two new approaches for boundary constraints using the NMM, namely a continuous approach with jump functions and a discontinuous approach with Lagrange multipliers. In the discontinuous Lagrange multiplier method (LMM), the material interfaces are regarded as discontinuities which divide mathematical covers into different physical covers. We define and derive stringent forms of Lagrange multipliers to link the divided physical covers, thus satisfying the continuity requirement of the refraction law. In the continuous Jump Function Method (JFM), the material interfaces are regarded as inner interfaces contained within physical covers. We briefly define jump terms to represent the discontinuity of the head gradient across an interface to satisfy the refraction law. We then make a theoretical comparison between the two approaches in terms of global degrees of freedom, treatment of multiple material interfaces, treatment of small area, treatment of moving interfaces, the feasibility of coupling with mechanical analysis and applicability to other numerical methods. The newly derived boundary-constraint approaches are coded into a NMM model for groundwater flow analysis, and tested for precision and efficiency on different simulation examples. We first test the LMM for a Dirichlet boundary and then test both LMM and JFM for an idealized heterogeneous model, comparing the numerical results with analytical solutions. Then we test both approaches for a heterogeneous model and compare the results of hydraulic head and specific discharge. We show that both approaches are suitable for modeling material boundaries, considering high accuracy for the boundary constraints, the capability to deal with arbitrarily oriented or complexly intersected boundaries, and their efficiency using a fixed mathematical mesh. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Hu, Mengsu; Wang, Yuan] Hohai Univ, Coll Civil & Transportat Engn, Nanjing 210098, Jiangsu, Peoples R China. [Hu, Mengsu; Wang, Yuan; Rutqvist, Jonny] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Rutqvist, J (reprint author), 1 Cyclotron Rd,MS74R316C, Berkeley, CA 94720 USA. EM mengsuhu@163.com; wangyuanhhu@163.com; jrutqvist@lbl.gov RI Rutqvist, Jonny/F-4957-2015; Hu, Mengsu/O-6202-2016 OI Rutqvist, Jonny/0000-0002-7949-9785; Hu, Mengsu/0000-0002-8853-2022 FU National Natural Science Foundation [51179060]; Education Ministry Foundation of China [20110094130002]; Graduates Science Innovation Research Project of Jiangsu Province [CXZZ12_0230]; China Scholarship Council; Program for Changjiang Scholars and Innovative Research Team in University [IRT1125]; 111 Project [B13024]; US Department of Energy [DE-AC02-05CH11231] FX The research was supported by the National Natural Science Foundation (No. 51179060) and the Education Ministry Foundation of China (No. 20110094130002), Graduates Science Innovation Research Project of Jiangsu Province (No. CXZZ12_0230), China Scholarship Council and in part, supported by the Program for Changjiang Scholars and Innovative Research Team in University (No. IRT1125), the 111 Project (No. B13024) and the US Department of Energy to the Lawrence Berkeley National Laboratory under contract No. DE-AC02-05CH11231. NR 49 TC 4 Z9 4 U1 2 U2 21 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 2015 VL 80 BP 17 EP 29 DI 10.1016/j.advwatres.2015.03.004 PG 13 WC Water Resources SC Water Resources GA CH1VU UT WOS:000353811000002 ER PT J AU Jach-Smith, LC Jackson, RD AF Jach-Smith, Laura C. Jackson, Randall D. TI Nitrogen conservation decreases with fertilizer addition in two perennial grass cropping systems for bioenergy SO AGRICULTURE ECOSYSTEMS & ENVIRONMENT LA English DT Article DE Nitrogen conservation; Resorption efficiency; Resorption proficiency; Warm-season grass; Biofuels ID WARM-SEASON GRASSES; BIOMASS PRODUCTION; NUTRIENT RESORPTION; WETLAND GRAMINOIDS; MINERAL-NUTRITION; PANICUM-VIRGATUM; MARGINAL LANDS; UNITED-STATES; SOIL EXTRACTS; SOUTH-DAKOTA AB Warm-season prairie grasses are promising bioenergy crops that exhibit conservative nitrogen use and cycling, which promise to reduce expensive N amendments and contributions to environmental N pollution associated with annual cropping systems. However, efforts to maximize crop yields with fertilizer may reduce N conservation in these systems. We used two perennial grass systems of differing diversity levels - a restored tallgrass prairie and a Panicum virgatum (switchgrass) monoculture-to determine the effects of N fertilizer level and harvest timing on biomass yields, N concentrations and N removal at harvest To address plant N conservation, we measured N resorption efficiency (proportion of N resorbed), resorption proficiency (minimum N level attained after senescence), and timing of resorption under different N fertilizer rates. Yield responses to N fertilizer were not consistent between cropping system, year, or harvest timing, and were generally weak, resulting in an average of only 1.27 times more biomass compared to unfertilized plots. In contrast fertilized plots removed 1.67 times more N relative to unfertilized plots, as N removal was largely driven by increases in biomass N concentrations rather than increases in yield. N resorption was affected by fertilizer in switchgrass, but not in selected prairie species. Fertilized switchgrass plants took longer to reach their maximum resorption levels and had reduced resorption proficiency, despite higher resorption efficiencies. Our results suggest that striving to increase biomass yields with N fertilizer may be an imprudent approach to sustainable bioenergy production, because yield responses are highly variable and N conservation mechanisms are compromised. (C) 2015 Elsevier B.V. All rights reserved. C1 [Jach-Smith, Laura C.; Jackson, Randall D.] Univ Wisconsin, Nelson Inst Environm Studies, Madison, WI 53706 USA. [Jach-Smith, Laura C.; Jackson, Randall D.] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Jackson, Randall D.] Univ Wisconsin, Dept Agron, Madison, WI 53706 USA. RP Jach-Smith, LC (reprint author), Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, 1552 Univ Ave, Madison, WI 53706 USA. EM lcsmith4@wisc.edu FU DOE-Great Lakes Bioenergy Research Center (DOE BER Office of Science) [DE-FC02-07ER64494]; DOE OBP Office of Energy Efficiency and Renewable Energy [DE-AC05-76RL01830] FX This work was funded in part by the DOE-Great Lakes Bioenergy Research Center (DOE BER Office of Science DE-FC02-07ER64494) and the DOE OBP Office of Energy Efficiency and Renewable Energy (DE-AC05-76RL01830). We thank David Duncan for assistance with data analyses and thoughtful comments that greatly improved the manuscript. We further thank Josh Posner, Janet Hedtcke, Gregg Sanford, Andrew Dean, James Tesmer, Kraig Weber, Matt Raboin, Gary Oates, Robert Jach and Matt Smith for technical assistance in the field and laboratory. We also wish to thank Josh Posner's group and the Wisconsin Integrated Cropping Systems Trial for allowing us to use their plots in our study. NR 70 TC 5 Z9 5 U1 1 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-8809 EI 1873-2305 J9 AGR ECOSYST ENVIRON JI Agric. Ecosyst. Environ. PD JUN 1 PY 2015 VL 204 BP 62 EP 71 DI 10.1016/j.agee.2015.02.006 PG 10 WC Agriculture, Multidisciplinary; Ecology; Environmental Sciences SC Agriculture; Environmental Sciences & Ecology GA CH0WO UT WOS:000353743300007 ER PT J AU Emery, I Dunn, JB Han, J Wang, M AF Emery, Isaac Dunn, Jennifer B. Han, Jeongwoo Wang, Michael TI Biomass Storage Options Influence Net Energy and Emissions of Cellulosic Ethanol SO BIOENERGY RESEARCH LA English DT Article DE Biomass supply chain; Greenhouse gas emissions; Life cycle analysis; Biomass storage; Dry matter loss ID CORN STOVER; PERENNIAL GRASSES; CHEMICAL CHANGES; WILTED GRASS; SINGLE-PASS; LOSSES; SILAGE; FERMENTATION; HAY; ENSILAGE AB Incremental biomass losses during the harvest and storage of energy crops decrease the effective crop yield at the biorefinery gate. These losses can affect the environmental performance of biofuels from cellulosic feedstocks by indirectly increasing agricultural inputs per unit of fuel and increasing direct emissions of pollutants during biomass decomposition in storage. In this study, we expand the Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET(TM)) model to include parameters for harvest and storage of dry bales, bale silage, and bulk silage and examine the potential impact of the biomass supply chain on energy use and air pollutants from cellulosic ethanol from corn stover, switchgrass, and miscanthus feedstocks. A review of storage methods shows substantial differences in expected losses (4.2 to 16.0 %) and variability. Model results indicate that inclusion of feedstock harvest and storage pathways increases net fossil energy consumption (0.03-0.14 MJ/MJ) and greenhouse gas emissions (2.3-10 g CO(2)e/MJ) from cellulosic ethanol compared to analyses that exclude feedstock losses, depending on the storage scenario selected. Greenhouse gas emissions were highest from bulk ensiled silage and bale silage pathways, driven by direct emissions of greenhouse gasses during storage and material use, respectively. Storage of dry bales indoors or under cover minimizes emissions. This report emphasizes the need to increase the detail of biofuel production models and address areas of great uncertainty in the biomass supply chain, such as biomass decomposition emissions and dry matter losses. C1 [Emery, Isaac] Purdue Univ, Dept Agr & Biol Engn, W Lafayette, IN 47907 USA. [Dunn, Jennifer B.; Han, Jeongwoo; Wang, Michael] Argonne Natl Lab, Div Energy Syst, Syst Assessment Grp, Argonne, IL 60439 USA. RP Dunn, JB (reprint author), Argonne Natl Lab, Div Energy Syst, Syst Assessment Grp, 9700 S Cass Ave, Argonne, IL 60439 USA. EM isaacemery@gmail.com; jdunn@anl.gov; jhan@anl.gov; mqwang@anl.gov RI Emery, Isaac/G-6601-2011 OI Emery, Isaac/0000-0002-8757-2698 FU Bioenergy Technologies Office of the Energy Efficiency and Renewable Energy Office of the US Department of Energy [DE-AC02-06CH11357] FX This study was supported by the Bioenergy Technologies Office of the Energy Efficiency and Renewable Energy Office of the US Department of Energy under Contract No. DE-AC02-06CH11357. The authors thank the support and guidance of Kristen Johnson, Alicia Lindauer, and Zia Haq of the Department of Energy's Bioenergy Technology Office. We also extend thanks to Professor Nathan Mosier of Purdue University for his contributions to the design and coordination of the study. NR 59 TC 4 Z9 4 U1 4 U2 18 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 2015 VL 8 IS 2 BP 590 EP 604 DI 10.1007/s12155-014-9539-0 PG 15 WC Energy & Fuels; Environmental Sciences SC Energy & Fuels; Environmental Sciences & Ecology GA CH4UK UT WOS:000354028200010 ER PT J AU Yang, JD Worley, E Torres-Jerez, I Miller, R Wang, MY Fu, CX Wang, ZY Tang, YH Udvardi, M AF Yang, Jiading Worley, Eric Torres-Jerez, Ivone Miller, Randall Wang, Mingyi Fu, Chunxiang Wang, Zeng-Yu Tang, Yuhong Udvardi, Michael TI PvNAC1 and PvNAC2 Are Associated with Leaf Senescence and Nitrogen Use Efficiency in Switchgrass SO BIOENERGY RESEARCH LA English DT Article DE Switchgrass; NAC; Senescence; Nitrogen remobilization/uptake ID TRITICUM-AESTIVUM L.; BIOMASS PRODUCTION; GENE-EXPRESSION; GRAIN-PROTEIN; AMMONIA VOLATILIZATION; TRANSCRIPTOME ANALYSIS; ARABIDOPSIS-THALIANA; TRANSGENIC PLANTS; SPRING WHEAT; REMOBILIZATION AB Two full-length cDNAs encoding NAM, ATAF, and CUC (NAC)-family transcription factors (TFs) were isolated from two different cultivars of Panicum virgatum L. (switchgrass) and named PvNAC1 and PvNAC2. Phylogenetic analysis of PvNAC1 and PvNAC2 grouped them with NAC proteins involved in senescence in annual plant species. Transcript profiling revealed that both PvNAC1 and PvNAC2 are induced during leaf senescence. Expression of a PvNAC1-green fluorescent protein (GFP) fusion in plant cells revealed a nuclear location of the protein, consistent with a role in transcriptional regulation. Expression of PvNAC1 in an Arabidopsis nap stay-green mutant suppressed its senescence defect. Expression of PvNAC1 in wild-type Arabidopsis triggered early leaf senescence and remobilization. Transcriptome analysis implicated leaf protein degradation and nitrogen recycling enzymes in NAC-dependent seed protein increase in Arabidopsis. Overexpression of pvNAC2 in switchgrass resulted in increased aboveground biomass associated with increased transcript levels of key nitrogen metabolism genes in leaves and nitrate and ammonium transporter genes in roots. The results indicate that NAC TFs play conserved roles in leaf senescence in the plant kingdom not only in annual monocots and dicots but also in perennial plants such as switchgrass. PvNAC1 and PvNAC2 hold promise for improving nutrient use efficiency in switchgrass through genetic manipulation. C1 [Yang, Jiading; Worley, Eric; Torres-Jerez, Ivone; Miller, Randall; Wang, Mingyi; Tang, Yuhong; Udvardi, Michael] Samuel Roberts Noble Fdn Inc, Div Plant Biol, Ardmore, OK 73401 USA. [Fu, Chunxiang; Wang, Zeng-Yu] Samuel Roberts Noble Fdn Inc, Forage Improvement Div, Ardmore, OK 73401 USA. [Yang, Jiading; Worley, Eric; Miller, Randall; Wang, Zeng-Yu; Tang, Yuhong; Udvardi, Michael] Bioenergy Sci Ctr BESC, Oak Ridge, TN 37831 USA. RP Udvardi, M (reprint author), Samuel Roberts Noble Fdn Inc, Div Plant Biol, 2510 Sam Noble Pkwy, Ardmore, OK 73401 USA. EM mudvardi@noble.org FU Office of Biological and Environmental Research of the US Department of Energy via the BioEnergy Science Center (BESC) [DE-PS02-06ER64304]; Samuel Roberts Noble Foundation FX We thank Prof. Arvid Boe (Plant Science Department, South Dakota State University) for generously providing seeds of switchgrass cultivar Summer and Dr. Albrecht von Arnim(Department of BCMB, University of Tennessee) for the gift pAVA121 vector. We also thank Jianfei Yun for the help with collecting switchgrass samples and caring for Arabidopsis plants. This work was supported by the Office of Biological and Environmental Research of the US Department of Energy via the BioEnergy Science Center (BESC) (grant number DE-PS02-06ER64304) and by the Samuel Roberts Noble Foundation. NR 42 TC 1 Z9 1 U1 8 U2 56 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 2015 VL 8 IS 2 BP 868 EP 880 DI 10.1007/s12155-014-9566-x PG 13 WC Energy & Fuels; Environmental Sciences SC Energy & Fuels; Environmental Sciences & Ecology GA CH4UK UT WOS:000354028200031 ER PT J AU Bachand, GD Spoerke, ED Stevens, MJ AF Bachand, George D. Spoerke, Erik D. Stevens, Mark J. TI Microtubule-Based Nanomaterials: Exploiting Nature's Dynamic Biopolymers SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Review DE biomineralization; energy dissipation; molecular dynamics; cytoskeleton; dynamic instability; biomolecular motors ID ASSEMBLING PEPTIDE NANOTUBES; SURFACTANT-LIKE PEPTIDES; MAGNETIC-FIELDS; BIOMOLECULAR MOTORS; ORGANIC NANOTUBES; ELECTRIC-FIELDS; NANOPARTICLE; INSTABILITY; TRANSPORT; TUBULIN AB For more than a decade now, biomolecular systems have served as an inspiration for the development of synthetic nanomaterials and systems that are capable of reproducing many of unique and emergent behaviors of living systems. One intriguing element of such systems may be found in a specialized class of proteins known as biomolecular motors that are capable of performing useful work across multiple length scales through the efficient conversion of chemical energy. Microtubule (MT) filaments may be considered within this context as their dynamic assembly and disassembly dissipate energy, and perform work within the cell. MTs are one of three cytoskeletal filaments in eukaryotic cells, and play critical roles in a range of cellular processes including mitosis and vesicular trafficking. Based on their function, physical attributes, and unique dynamics, MTs also serve as a powerful archetype of a supramolecular filament that underlies and drives multiscale emergent behaviors. In this review, we briefly summarize recent efforts to generate hybrid and composite nanomaterials using MTs as biomolecular scaffolds, as well as computational and synthetic approaches to develop synthetic one-dimensional nanostructures that display the enviable attributes of the natural filaments. (C) 2015 Wiley Periodicals, Inc. C1 [Bachand, George D.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Spoerke, Erik D.] Sandia Natl Labs, Dept Elect Opt & Nano Mat, Albuquerque, NM 87185 USA. [Stevens, Mark J.] Sandia Natl Labs, Dept Computat Mat & Data Sci, Albuquerque, NM 87185 USA. RP Bachand, GD (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. EM gdbacha@sandia.gov OI Bachand, George/0000-0002-3169-9980 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [KC0203010]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Drs. Nathan Bouxsein and Brad Jones for their useful comments and suggestions in preparing this review. Support for the preparation of the manuscript was provided by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, Project KC0203010. 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 66 TC 1 Z9 1 U1 7 U2 33 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 2015 VL 112 IS 6 BP 1065 EP 1073 DI 10.1002/bit.25569 PG 9 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA CH4DG UT WOS:000353981400001 PM 25728349 ER PT J AU O'Bryhim, JR Spaet, J Hyde, JR Jones, KL Adams, DH Lance, SL AF O'Bryhim, J. R. Spaet, J. Hyde, J. R. Jones, K. L. Adams, D. H. Lance, S. L. TI Development of microsatellite markers for globally distributed populations of the threatened silky shark, Carcharhinus falciformis SO CONSERVATION GENETICS RESOURCES LA English DT Article DE Carcharhinus falciformis; Illumina; Microsatellite; PAL_FINDER; PCR primers; SSR AB Eighteen microsatellite loci were developed for the silky shark Carcharhinus falciformis and screened across a total of 53 individuals from the western Atlantic Ocean, Eastern Tropical Pacific Ocean, and Red Sea. The number of alleles per locus ranged from 3 to 19, observed heterozygosity ranged from 0.158 to 0.917, and the probability of identity values ranged from 0.010 to 0.460. Though believed to be one of the most abundant species of large sharks, C. falciformis were recently listed as "near threatened" globally and "vulnerable" in the Eastern Tropical Pacific by the IUCN, due to reductions in catch rates from both target and non-target fisheries (Dulvy et al. in Aquat Conserv 18:459-482, 2008). Very little information exists about the population structure and genetic diversity of C. falciformis around the world. These new loci will provide effective tools for examining the sustainability of this declining species. C1 [O'Bryhim, J. R.; Lance, S. L.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [O'Bryhim, J. R.] George Mason Univ, Dept Environm Sci & Policy, Fairfax, VA 22030 USA. [Spaet, J.] King Abdullah Univ Sci & Technol, Red Sea Res Ctr, Thuwal, Saudi Arabia. [Hyde, J. R.] Natl Marine Fisheries Serv, Southwest Fisheries Sci Ctr, La Jolla, CA 92037 USA. [Jones, K. L.] Univ Colorado, Dept Biochem & Mol Genet, Sch Med, Aurora, CO 80045 USA. [Adams, D. H.] Florida Fish & Wildlife Conservat Commiss, Fish & Wildlife Res Inst, Melbourne, FL 32901 USA. RP O'Bryhim, JR (reprint author), George Mason Univ, Dept Environm Sci & Policy, Fairfax, VA 22030 USA. EM jobryhim@masonlive.gmu.edu RI Lance, Stacey/K-9203-2013 OI Lance, Stacey/0000-0003-2686-1733 FU DOE [DE-FC09-07SR22506] FX Manuscript preparation was partially supported by the DOE under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. Bioinformatics support came from Biostatistics/Bioinformatics Shared Resource of the University of Colorado Cancer Center (5P30CA046934). InterAmerican Tropical Tuna Commission fishery observers provided samples from the Eastern Tropical Pacific. NR 5 TC 0 Z9 0 U1 1 U2 10 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 2015 VL 7 IS 2 BP 463 EP 465 DI 10.1007/s12686-014-0396-0 PG 3 WC Biodiversity Conservation; Genetics & Heredity SC Biodiversity & Conservation; Genetics & Heredity GA CH7JW UT WOS:000354213300037 ER PT J AU Salam, S Hou, PY Zhang, YD Wang, HF Zhang, C Yang, ZG AF Salam, S. Hou, P. Y. Zhang, Y. -D. Wang, H. -F. Zhang, C. Yang, Z. -G. TI Compositional effects on the high-temperature oxidation lifetime of MCrAlY type coating alloys SO CORROSION SCIENCE LA English DT Article DE Alloy; Modeling studies; Oxidation ID THERMAL BARRIER COATINGS; ALUMINA SCALE GROWTH; OVERLAY COATINGS; CR ALLOYS; BEHAVIOR; SYSTEMS; DIFFUSION; DEPLETION; SUBSTRATE; RHENIUM AB The lifetimes due to chemical failure during high-temperature oxidation of Co and Ni-rich MCrAlY type coating alloys were investigated. They were found to depend critically on the oxidation rate and Al diffusivity in alloy. Re and Al additions increased the life by providing higher 3-phase contents and by lowering the Al diffusivity and oxidation rates. The effects of Re were more pronounced in the Co-rich than the Ni-rich alloys. The observed difference was a result of different alloy phases, with a microstructure of gamma, beta, and sigma in the Co-rich alloys and gamma, beta, and alpha in the Ni-rich alloys. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Salam, S.; Zhang, Y. -D.; Wang, H. -F.; Zhang, C.; Yang, Z. -G.] Tsinghua Univ, Sch Mat Sci & Engn, Minist Educ, Key Lab Adv Mat, Beijing 100084, Peoples R China. [Hou, P. Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Yang, ZG (reprint author), Tsinghua Univ, Sch Mat Sci & Engn, Minist Educ, Key Lab Adv Mat, Beijing 100084, Peoples R China. EM zgyang@tsinghua.edu.cn FU National Natural Science Foundation of China (NSFC) [51471094] FX The authors are grateful for the financial support by National Natural Science Foundation of China (NSFC No. 51471094). NR 45 TC 5 Z9 5 U1 5 U2 28 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 2015 VL 95 BP 143 EP 151 DI 10.1016/j.corsci.2015.03.011 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CH4KC UT WOS:000354001400015 ER PT J AU Canani, RB Gilbert, JA Nagler, CR AF Canani, Roberto Berni Gilbert, Jack A. Nagler, Cathryn R. TI The role of the commensal microbiota in the regulation of tolerance to dietary allergens SO CURRENT OPINION IN ALLERGY AND CLINICAL IMMUNOLOGY LA English DT Review DE commensal bacteria; epithelial barrier; food allergy; gut microbiota; probiotics; short-chain fatty acids ID FOOD ALLERGY; FECAL MICROBIOTA; EARLY-LIFE; COWS MILK; INTESTINAL MICROBIOTA; ORAL IMMUNOTHERAPY; RANDOMIZED-TRIAL; GUT MICROBIOTA; PEANUT ALLERGY; INFANT GUT AB Purpose of review We review the evidence that environmental stimuli that perturb naturally selected host-microbe interactions are driving the increasing prevalence of food allergy and examine the mechanisms by which commensal bacteria regulate tolerance to dietary allergens. Recent findings Antibiotic use and the consumption of a high-fat/low-fiber diet have a major and rapid impact on gut bacterial populations, with long-term consequences for both overall microbial community structure and the regulation of host immunity. Recent work emphasizes the role of mucosa-associated commensal bacteria in eliciting a barrier-protective response critical to preventing allergic sensitization to food. Murine model studies are informing the development of novel live biotherapeutic approaches as an adjunctive therapy to enhance antigen-specific oral desensitization and to promote lasting tolerance in patients with food allergy. Summary Strategies based on modulating the composition and/or functionality of the gut microbiome hold promise for the treatment of food allergy. C1 [Canani, Roberto Berni] Univ Naples Federico II, Dept Translat Med Sci, Naples, Italy. [Canani, Roberto Berni] Univ Naples Federico II, European Lab Invest Food Induced Dis, Naples, Italy. [Canani, Roberto Berni] Univ Naples Federico II, CEINGE Adv Biotechnol, Naples, Italy. [Gilbert, Jack A.] Argonne Natl Lab, Dept Biosci, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Gilbert, Jack A.] Univ Chicago, Dept Surg, Chicago, IL 60637 USA. [Gilbert, Jack A.] Marine Biol Lab, Woods Hole, MA 02543 USA. [Gilbert, Jack A.] Zhejiang Univ, Coll Environm & Resource Sci, Hangzhou 310003, Zhejiang, Peoples R China. [Nagler, Cathryn R.] Univ Chicago, Comm Immunol, Chicago, IL 60637 USA. [Nagler, Cathryn R.] Univ Chicago, Dept Pathol, Chicago, IL 60637 USA. [Nagler, Cathryn R.] Univ Chicago, Dept Med, Chicago, IL 60637 USA. [Nagler, Cathryn R.] Univ Chicago, Dept Coll, Chicago, IL 60637 USA. RP Nagler, CR (reprint author), Univ Chicago, 924 East 57th St,JFK R120, Chicago, IL 60637 USA. EM cnagler@bsd.uchicago.edu OI Berni Canani, Roberto/0000-0002-5169-9574 FU NIAID [AI106302]; Food Allergy Research and Education (FARE); UChicago Digestive Diseases Center Core Grant [P30DK42086]; Italian Ministry of Health [PE-2011-02348447]; US Dept. of Energy [DE-AC02-06CH11357.NS] FX The work was supported by NIAID AI106302, Food Allergy Research and Education (FARE) and UChicago Digestive Diseases Center Core Grant P30DK42086 (C.R.N.), the Italian Ministry of Health PE-2011-02348447 (R.B.C.), and the US Dept. of Energy under Contract DE-AC02-06CH11357.NS (J.A.G.). NR 67 TC 5 Z9 5 U1 5 U2 48 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA SN 1528-4050 EI 1473-6322 J9 CURR OPIN ALLERGY CL JI Curr. Opin. Allergy Clin. Immunol. PD JUN PY 2015 VL 15 IS 3 BP 243 EP 249 DI 10.1097/ACI.0000000000000157 PG 7 WC Allergy; Immunology SC Allergy; Immunology GA CH0EA UT WOS:000353690700009 ER PT J AU Mancilla-David, F Dominguez-Garcia, JL De Prada, M Gomis-Bellmunt, O Singh, M Muljadi, E AF Mancilla-David, Fernando Luis Dominguez-Garcia, Jose De Prada, Mikel Gomis-Bellmunt, Oriol Singh, Mohit Muljadi, Eduard TI Modeling and control of Type-2 wind turbines for sub-synchronous resonance damping SO ENERGY CONVERSION AND MANAGEMENT LA English DT Article DE IEEE first benchmark model; Local signals; Power system stabilizer; Rotor resistance control; Sub-synchronous resonance; Type-2 wind turbine; Wound rotor induction machine ID SUBSYNCHRONOUS RESONANCE; MODAL-ANALYSIS; LARGE-SCALE; POWER; FARM; GENERATION; SSR; SYSTEMS; NETWORK; DESIGN AB The rapid increase of wind power penetration into power systems around the world has led transmission system operators to enforce stringent grid codes requiring novel functionalities from renewable energy-based power generation. For this reason, there exists a need to asses whether wind turbines (WTs) will comply with such functionalities to ensure power system stability. This paper demonstrates that Type-2 WTs may induce sub-synchronous resonance (SSR) events when connected to a series-compensated transmission line, and with proper control, they may also suppress such events. The paper presents a complete dynamic model tailored to study, via eigenanalysis, SSR events in the presence of Type-2 WTs, and a systematic procedure to design a power system stabilizer using only local and measurable signals. Results are validated through a case study based on the IEEE first benchmark model for SSR studies, as well as with transient computer simulations. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Mancilla-David, Fernando] Univ Colorado Denver, Dept Elect Engn, Denver, CO 80217 USA. [Luis Dominguez-Garcia, Jose; De Prada, Mikel; Gomis-Bellmunt, Oriol] IREC Catalonia Inst Energy Res, Barcelona 08930, Spain. [Gomis-Bellmunt, Oriol] UPC, CITCEA, Barcelona 08028, Spain. [Singh, Mohit; Muljadi, Eduard] NREL, Golden, CO 80401 USA. RP Mancilla-David, F (reprint author), Univ Colorado Denver, Dept Elect Engn, Denver, CO 80217 USA. EM fernando.mancilla-david@ucdenver.edu OI Dominguez-Garcia, Jose Luis/0000-0002-0483-995X FU EU [609795]; Ministerio de Economia y Competitividad [ENE2012-33043]; U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory FX This work was supported by the EU 7th framework programs FP7-ENERGY-2013 IRPWIND Project (under Grant Agreement 609795), by the Ministerio de Economia y Competitividad, Plan Nacional de I+D+i under Project ENE2012-33043 and also supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. NR 34 TC 1 Z9 1 U1 0 U2 8 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0196-8904 EI 1879-2227 J9 ENERG CONVERS MANAGE JI Energy Conv. Manag. PD JUN PY 2015 VL 97 BP 315 EP 322 DI 10.1016/j.enconman.2015.03.069 PG 8 WC Thermodynamics; Energy & Fuels; Mechanics SC Thermodynamics; Energy & Fuels; Mechanics GA CH0ZU UT WOS:000353751700032 ER PT J AU Askin, AC Barter, GE West, TH Manley, DK AF Askin, Amanda C. Barter, Garrett E. West, Todd H. Manley, Dawn K. TI The heavy-duty vehicle future in the United States: A parametric analysis of technology and policy tradeoffs SO ENERGY POLICY LA English DT Article DE Heavy duty vehicle; Natural gas vehicle; Emissions; Petroleum; Consumer choice AB We present a parametric analysis of factors that can influence advanced fuel and technology deployments in U.S. Class 7-8 trucks through 2050. The analysis focuses on the competition between traditional diesel trucks, natural gas vehicles (NGVs), and ultra-efficient powertrains. Underlying the study is a vehicle choice and stock model of the U.S. heavy-duty vehicle market. The model is segmented by vehicle class, body type, powertrain, fleet size, and operational type. We find that conventional diesel trucks will dominate the market through 2050, but NGVs could have significant market penetration depending on key technological and economic uncertainties. Compressed natural gas trucks conducting urban trips in fleets that can support private infrastructure are economically viable now and will continue to gain market share. Ultra-efficient diesel trucks, exemplified by the U.S. Department of Energy's SuperTruck program, are the preferred alternative in the long haul segment, but could compete with liquefied natural gas (LNG) trucks if the fuel price differential between LNG and diesel increases. However, the greatest impact in reducing petroleum consumption and pollutant emissions is had by investing in efficiency technologies that benefit all powertrains, especially the conventional diesels that comprise the majority of the stock, instead of incentivizing specific alternatives. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Askin, Amanda C.; Barter, Garrett E.; West, Todd H.; Manley, Dawn K.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Askin, AC (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. EM acaskin@sandia.gov FU Laboratory Directed Research and Development program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This, work was funded by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 33 TC 2 Z9 2 U1 5 U2 25 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 2015 VL 81 BP 1 EP 13 DI 10.1016/j.enpol.2015.02.005 PG 13 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA CH2JX UT WOS:000353852600001 ER PT J AU Zhang, F Deng, H Margolis, R Su, J AF Zhang, Fang Deng, Hao Margolis, Robert Su, Jun TI Analysis of distributed-generation photovoltaic deployment, installation time and cost, market barriers, and policies in China SO ENERGY POLICY LA English DT Article DE Distributed generation; Solar; Photovoltaic; Soft cost; Self consumption; Feed-in tariff (FIT) ID SOLAR-ENERGY; INDUSTRY; EVOLUTION; POWER AB Beginning in 2013, China's photovoltaic (PV) market-development strategy witnessed a series of policy changes aimed at making distributed-generation PV (DG PV) development an equal priority with large-scale PV development. This article reviews the DG PV policy changes since 2013 and examines their effect on China's domestic DG PV market. Based on a 2014 survey of DG PV market and policy participants, we present cost and time breakdowns for installing DG PV projects in China, and we identify the main barriers to DG PV installation. We also use a cash flow model to determine the relative economic attractiveness of DG PV in several eastern provinces in China. The main factors constraining DG PV deployment in China include financial barriers resulting from the structure of the self-consumption feed-in tariff (FIT), ambivalence about DG PV within grid companies, complicated ownership structures for buildings/rooftops/businesses, and the inherent time lag in policy implementation from the central government to provincial and local governments. We conclude with policy implications and suggestions in the context of DG PV policy changes the Chinese government implemented in September 2014. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Zhang, Fang; Su, Jun] Tsinghua Univ, Sch Publ Policy & Management, Beijing 100084, Peoples R China. [Zhang, Fang] Tufts Univ, Fletcher Sch Law & Diplomacy, Medford, MA 02155 USA. [Deng, Hao] Yale Univ, Sch Forestry & Environm Studies, New Haven, CT 06511 USA. [Margolis, Robert] Natl Renewable Energy Lab, Washington, DC 20024 USA. RP Zhang, F (reprint author), Tufts Univ, Fletcher Sch Law & Diplomacy, 160 Packard Ave, Medford, MA 02155 USA. EM zhangfang0403@gmail.com; hao.deng@yale.edu; Robert.Margolis@nrel.gov; sujun@mail.tsinghua.edu.cn FU U.S. Department of Energy [DE-AC36-08GO28308]; NREL; Ministry of Science and Technology [2011AA05A304]; Tsinghua University FX This research was supported by the U.S. Department of Energy under contract number DE-AC36-08GO28308 (with NREL) and the Ministry of Science and Technology under contract number 2011AA05A304 (with Tsinghua University). We wish to thank Jingyu Wang, Suxiu Li, Xingli Sun, Meng Wang, Kunkun Miao, and Huajian Long for their assistance in carrying out our field work in China. We also appreciate the planning support and assistance of Barry Friedman (formerly with NREL) and Penny Storey (Tufts University), and the editorial support of Jarett Zuboy (independent contractor). Finally, we are grateful to the 35 people we interviewed in China as part of this research for their willingness to share insights. All remaining errors are the sole responsibility of the authors. NR 53 TC 9 Z9 9 U1 11 U2 37 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 2015 VL 81 BP 43 EP 55 DI 10.1016/j.enpol.2015.02.010 PG 13 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA CH2JX UT WOS:000353852600005 ER PT J AU Chaturvedi, V Kim, SH AF Chaturvedi, Vaibhav Kim, Son H. TI Long term energy and emission implications of a global shift to electricity-based public rail transportation system SO ENERGY POLICY LA English DT Article DE Public transport; Integrated assessment modeling; Energy and emissions ID GREENHOUSE-GAS EMISSIONS; INTEGRATED ASSESSMENT; LAND-USE; VEHICLE; TECHNOLOGIES; POLICIES; TRAVEL; MODEL AB With high reliance on light-duty vehicles in the present, the future of global transportation system is also geared towards private modes, which has significant energy and emission implications. Public transportation has been argued as an alternative strategy for meeting the rising transportation demands of the growing world, especially the poor, in a sustainable and energy efficient way. The present study analyzes an important yet under-researched question - what are the long-term energy and emission implications of an electric rail based passenger transportation system for meeting both long and short distance passenter transportation needs? We analyze a suite of electric rail share scenarios with and without climate policy. In the reference scenario, the transportation system will evolve towards dominance of fossil based light-duty vehicles. We find that an electric rail policy is more successful than an economy wide climate policy in reducing transport sector energy demand and emissions. Economy wide emissions however can only be reduced through a broader climate policy, the cost of which can be reduced by hundreds of billions of dollars across the century when, implemented in combination with the transport sector focused electric rail policy. Moreover, higher share of electric rail enhances energy security for oil importing nations and reduces vehicular congestion and road infrastructure requirement as well. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Chaturvedi, Vaibhav] Council Energy Environm & Water, New Delhi 110001, India. [Kim, Son H.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD USA. RP Chaturvedi, V (reprint author), Council Energy Environm & Water, Thapar House,124 Janpath, New Delhi 110001, India. EM vaibhav.chaturvedi@ceew.in NR 32 TC 5 Z9 6 U1 0 U2 13 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 2015 VL 81 BP 176 EP 185 DI 10.1016/j.enpol.2014.11.013 PG 10 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA CH2JX UT WOS:000353852600019 ER PT J AU Lee, JH Fredrickson, JK Plymale, AE Dohnalkova, AC Resch, CT McKinley, JP Shi, L AF Lee, Ji-Hoon Fredrickson, James K. Plymale, Andrew E. Dohnalkova, Alice C. Resch, Charles T. McKinley, James P. Shi, Liang TI An autotrophic H-2-oxidizing, nitrate-respiring, Tc(VII)-reducing Acidovorax sp isolated from a subsurface oxic-anoxic transition zone SO ENVIRONMENTAL MICROBIOLOGY REPORTS LA English DT Article ID URANIUM-CONTAMINATED AQUIFER; SHEWANELLA-ONEIDENSIS MR-1; MICROBIAL COMMUNITY; HANFORD SITE; ELECTRON-DONOR; 300 AREA; SP-NOV; REDUCTION; GROUNDWATER; DEEP AB Increasing concentrations of H-2 with depth were observed across a geologic unconformity and associated redox transition zone in the subsurface at the Hanford Site in south-central Washington, USA. An opposing gradient characterized by decreasing O-2 and nitrate concentrations was consistent with microbial-catalysed biogeochemical processes. Sterile sand was incubated in situ within a multilevel sampler placed across the redox transition zone to evaluate the potential for Tc(VII) reduction and for enrichment of H-2-oxidizing denitrifiers capable of reducing Tc(VII). H-2-driven TcO4- reduction was detected in sand incubated at all depths but was strongest in material from a depth of 17.1m. Acidovorax spp. were isolated from H-2-nitrate enrichments from colonized sand from 15.1m, with one representative, strain JHL-9, subsequently characterized. JHL-9 grew on acetate with either O-2 or nitrate as electron acceptor (data not shown) and on medium with bicarbonate, H-2 and nitrate. JHL-9 also reduced pertechnetate (TcO4-) under denitrifying conditions with H-2 as the electron donor. H-2-oxidizing Acidovorax spp. in the subsurface at Hanford and other locations may contribute to the maintenance of subsurface redox gradients and offer the potential for Tc(VII) reduction. C1 [Lee, Ji-Hoon; Fredrickson, James K.; Plymale, Andrew E.; Dohnalkova, Alice C.; Resch, Charles T.; McKinley, James P.; Shi, Liang] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Fredrickson, JK (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jim.fredrickson@pnnl.gov FU U.S. Department of Energy (DOE), Office of Biological and Environmental Research (BER) as part of BER's Subsurface Biogeochemical Research Program (SBR) FX The authors wish to thank James Moran, Eric Roden and Brandon Converse for their input to this manuscript and to DOE Joint Genome Institute for their sequencing of JHL-9. This research was supported by the U.S. Department of Energy (DOE), Office of Biological and Environmental Research (BER) as part of BER's Subsurface Biogeochemical Research Program (SBR). This contribution originates from the SBR Scientific Focus Area (SFA) at the Pacific Northwest National Laboratory (PNNL). Subsurface sediment samples were provided courtesy of the IFRC at the Hanford 300A that was also supported by DOE's SBR program. PNNL is operated for the DOE by Battelle. NR 46 TC 1 Z9 1 U1 2 U2 13 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1758-2229 J9 ENV MICROBIOL REP JI Environ. Microbiol. Rep. PD JUN PY 2015 VL 7 IS 3 BP 395 EP 403 DI 10.1111/1758-2229.12263 PG 9 WC Environmental Sciences; Microbiology SC Environmental Sciences & Ecology; Microbiology GA CH9RY UT WOS:000354375100003 PM 25558059 ER PT J AU Leigh, MB Wu, WM Cardenas, E Uhlik, O Carroll, S Gentry, T Marsh, T Zhou, JZ Jardine, P Criddle, C Tiedje, J AF Leigh, Mary Beth Wu, Wei-Min Cardenas, Erick Uhlik, Ondrej Carroll, Sue Gentry, Terry Marsh, Terence L. Zhou, Jizhong Jardine, Philip Criddle, Craig S. Tiedje, James M. TI Microbial communities biostimulated by ethanol during uranium (VI) bioremediation in contaminated sediment as shown by stable isotope probing SO FRONTIERS OF ENVIRONMENTAL SCIENCE & ENGINEERING LA English DT Article DE Stable isotope probing (SIP); ethanol; acetate; uranium reduction; sediment; bioremediation ID FACULTATIVELY ANAEROBIC BACTERIUM; SULFATE-REDUCING BACTERIA; IN-SITU BIOREDUCTION; SP NOV.; SUBMICROMOLAR LEVELS; U(VI) REDUCTION; GEN. NOV.; AQUIFER; SUBSURFACE; SEQUENCE AB Stable isotope probing (SIP) was used to identify microbes stimulated by ethanol addition in microcosms containing two sediments collected from the bioremediation test zone at the US Department of Energy Oak Ridge site, TN, USA. One sample was highly bioreduced with ethanol while another was less reduced. Microcosms with the respective sediments were amended with 13C labeled ethanol and incubated for 7 days for SIP. Ethanol was rapidly converted to acetate within 24 h accompanied with the reduction of nitrate and sulfate. The accumulation of acetate persisted beyond the 7 d period. Aqueous U did not decline in the microcosm with the reduced sediment due to desorption of U but continuously declined in the less reduced sample. Microbial growth and concomitant C-13-DNA production was detected when ethanol was exhausted and abundant acetate had accumulated in both microcosms. This coincided with U(VI) reduction in the less reduced sample. C-13 originating from ethanol was ultimately utilized for growth, either directly or indirectly, by the dominant microbial community members within 7 days of incubation. The microbial community was comprised predominantly of known denitrifiers, sulfate-reducing bacteria and iron (III) reducing bacteria including Desulfovibrio, Sphingomonas, Ferribacterium, Rhodanobacter, Geothrix, Thiobacillus and others, including the known U(VI)-reducing bacteria Acidovorax, Anaeromyxobacter, Desulfovibrio, Geobacter and Desulfosporosinus. The findings suggest that ethanol biostimulates the U(VI)-reducing microbial community by first serving as an electron donor for nitrate, sulfate, iron (III) and U(VI) reduction, and acetate which then functions as electron donor for U(VI) reduction and carbon source for microbial growth. C1 [Leigh, Mary Beth; Cardenas, Erick; Marsh, Terence L.; Tiedje, James M.] Michigan State Univ, Ctr Microbial Ecol, E Lansing, MI 48824 USA. [Leigh, Mary Beth] Univ Alaska Fairbanks, Inst Arctic Biol, Fairbanks, AK 99775 USA. [Wu, Wei-Min; Criddle, Craig S.] Stanford Univ, Codiga Resource Recovery Ctr, Ctr Sustainable Dev & Global Competitiveness, Dept Civil & Environm Engn, Stanford, CA 94305 USA. [Uhlik, Ondrej] Prague Inst Chem Technol, Dept Biochem & Microbiol, Tech 3, CR-16628 Prague, Czech Republic. [Carroll, Sue; Gentry, Terry; Zhou, Jizhong; Jardine, Philip] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Gentry, Terry] Texas A&M Univ, Dept Crop & Soil Sci, College Stn, TX 77843 USA. RP Leigh, MB (reprint author), Michigan State Univ, Ctr Microbial Ecol, E Lansing, MI 48824 USA. EM mbleigh@alaska.edu; wei-min.wu@stanford.edu RI Uhlik, Ondrej/D-3672-2010; OI Uhlik, Ondrej/0000-0002-0506-202X; Cardenas, Erick/0000-0002-5456-013X FU US DOE Office of Science [DE-FG02-97ER62469, DE-FG02-97ER64398, AC05-00OR22725, DE-SC0006783]; US National Science Foundation postdoctoral fellowship in Microbial Biology FX The authors thank Benli Chai for bioinformatic support and Anthony Gaca and Ami Smith for technical assistance in the laboratory. This study was funded by the US DOE Office of Science under grants DE-FG02-97ER62469, DE-FG02-97ER64398, AC05-00OR22725, and DE-SC0006783. Mary Beth Leigh was supported by a US National Science Foundation postdoctoral fellowship in Microbial Biology. NR 41 TC 3 Z9 3 U1 7 U2 37 PU HIGHER EDUCATION PRESS PI BEIJING PA NO 4 DEWAI DAJIE, BEIJING 100120, PEOPLES R CHINA SN 2095-2201 EI 2095-221X J9 FRONT ENV SCI ENG JI Front. Env. Sci. Eng. PD JUN PY 2015 VL 9 IS 3 BP 453 EP 464 DI 10.1007/s11783-014-0721-6 PG 12 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA CH8EX UT WOS:000354270200010 ER PT J AU Geisler, T Nagel, T Kilburn, MR Janssen, A Icenhower, JP Fonseca, ROC Grange, M Nemchin, AA AF Geisler, Thorsten Nagel, Thorsten Kilburn, Matt R. Janssen, Arne Icenhower, Jonathan P. Fonseca, Raul O. C. Grange, Marion Nemchin, Alexander A. TI The mechanism of borosilicate glass corrosion revisited SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID MINERAL REPLACEMENT REACTIONS; MONTE-CARLO SIMULATIONS; OXYGEN-ISOTOPE EXCHANGE; NUCLEAR-WASTE GLASS; SILICATE-GLASSES; ION-EXCHANGE; NA2O-AL2O3-SIO2 GLASS; LAYER FORMATION; RATE LAW; DISSOLUTION AB Currently accepted mechanistic models describing aqueous corrosion of borosilicate glasses are based on diffusion-controlled hydrolysis, hydration, ion exchange reactions, and subsequent re-condensation of the hydrolyzed glass network, leaving behind a residual hydrated glass or gel layer. Here, we report results of novel oxygen and silicon isotope tracer experiments with ternary Na borosilicate glasses that can be better explained by a process that involves the congruent dissolution of the glass, which is spatially and temporally coupled to the precipitation and growth of an amorphous silica layer at an inwardly moving reaction interface. Such a process is thermodynamically driven by the solubility difference between the glass and amorphous silica, and kinetically controlled by glass dissolution reactions at the reaction front, which, in turn, are controlled by the transport of water and solute elements through the growing corrosion zone. Understanding the coupling of these reactions is the key to understand the formation of laminar or more complex structural and chemical patterns observed in natural corrosion zones of ancient glasses. We suggest that these coupled processes also have to be considered to realistically model the long-term performance of silicate glasses in aqueous environments. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Geisler, Thorsten; Nagel, Thorsten; Fonseca, Raul O. C.] Univ Bonn, Steinmann Inst Geol Mineral & Palaontol, D-53115 Bonn, Germany. [Kilburn, Matt R.] Univ Western Australia, Dept Phys, Crawley, WA 6009, Australia. [Janssen, Arne] Univ Manchester, Mat Performance Ctr, Sch Mat, Manchester M13 9PL, Lancs, England. [Icenhower, Jonathan P.] Sandia Natl Labs, Carlsbad, NM 88220 USA. [Grange, Marion; Nemchin, Alexander A.] Curtin Univ Technol, Western Australian Sch Mines, Dept Appl Geol, Bentley, WA 6102, Australia. RP Geisler, T (reprint author), Univ Bonn, Steinmann Inst Geol Mineral & Palaontol, Poppelsdorfer Schloss, D-53115 Bonn, Germany. EM tgeisler@uni-bonn.de RI Kilburn, Matthew/C-4515-2011; OI Kilburn, Matthew/0000-0002-1858-8485; Grange, Marion/0000-0001-6405-8795; Fonseca, Raul O. C./0000-0002-0897-4884 FU Deutsche Forschungsgemeinschaft [GE1098/12-1] FX We would like to thank V. Rapelius and C. Putnis for carrying out the ICP-OES measurements and part of the SEM investigations, respectively. Three anonymous reviewers are thanked for their very constructive reviews that helped to improve, as we believe, the intelligibility of the final manuscript. T.G. acknowledges financial support from the Deutsche Forschungsgemeinschaft in form of a Heisenberg Scholarship (GE1098/12-1). NR 69 TC 12 Z9 12 U1 10 U2 50 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 2015 VL 158 BP 112 EP 129 DI 10.1016/j.gca.2015.02.039 PG 18 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CH2XU UT WOS:000353889500007 ER PT J AU Anovitz, LM Cole, DR Jackson, AJ Rother, G Littrell, KC Allard, LF Pollington, AD Wesolowski, DJ AF Anovitz, Lawrence M. Cole, David R. Jackson, Andrew J. Rother, Gernot Littrell, Kenneth C. Allard, Lawrence F. Pollington, Anthony D. Wesolowski, David J. TI Effect of quartz overgrowth precipitation on the multiscale porosity of sandstone: A (U)SANS and imaging analysis SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID ANGLE NEUTRON-SCATTERING; ST PETER SANDSTONE; SILICA DIAGENESIS; GOLD MINERALIZATION; FLUID-INCLUSION; ISING SYSTEMS; SURFACE; GROWTH; SCALE; PORE AB We have performed a series of experiments to understand the effects of quartz overgrowths on nanometer to centimeter scale pore structures of sandstones. Blocks from two samples of St. Peter Sandstone with different initial porosities (5.8% and 18.3%) were reacted from 3 days to 7.5 months at 100 and 200 degrees C in aqueous solutions supersaturated with respect to quartz by reaction with amorphous silica. Porosity in the resultant samples was analyzed using small and ultrasmall angle neutron scattering and scanning electron microscope/backscattered electron (SEM/BSE)-based image-scale processing techniques. Significant changes were observed in the multiscale pore structures. By 3 days much of the overgrowth in the low-porosity sample dissolved away. The reason for this is uncertain, but the overgrowths can be clearly distinguished from the original core grains in the BSE images. At longer times the larger pores are observed to fill with plate-like precipitates. As with the unreacted sandstones, porosity is a step function of size. Grain boundaries are typically fractal, but no evidence of mass fractal or fuzzy interface behavior was observed suggesting a structural difference between chemical and clastic sediments. After the initial loss of the overgrowths, image scale porosity (> similar to 1 cm) decreases with time. Submicron porosity (typically similar to 25% of the total) is relatively constant or slightly decreasing in absolute terms, but the percent change is significant. Fractal dimensions decrease at larger scales, and increase at smaller scales with increased precipitation. (C) 2015 Published by Elsevier Ltd. C1 [Anovitz, Lawrence M.; Rother, Gernot; Wesolowski, David J.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Cole, David R.] Ohio State Univ, Sch Earth Sci, Columbus, OH 43210 USA. [Jackson, Andrew J.] NIST, Ctr Neutron Res, Newark, DE 19716 USA. [Jackson, Andrew J.] Univ Delaware, Dept Chem Engn, Newark, DE 19716 USA. [Littrell, Kenneth C.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN USA. [Allard, Lawrence F.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN USA. [Pollington, Anthony D.] CNR, Clean Chem Team, Nucl & Radiochem, Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Anovitz, LM (reprint author), Oak Ridge Natl Lab, Div Chem Sci, MS 6110, Oak Ridge, TN 37831 USA. EM anovitzlm@ornl.gov; cole.613@osu.com; ajj@nist.gov; rotherg@ornl.gov; littrellkc@ornl.gov; anovitzlm@ornl.gov; pollington@lanl.gov; wesolowskid@ornl.gov RI Rother, Gernot/B-7281-2008; Jackson, Andrew/B-9793-2008; Anovitz, Lawrence/P-3144-2016; Littrell, Kenneth/D-2106-2013 OI Pollington, Anthony/0000-0002-0678-9271; Rother, Gernot/0000-0003-4921-6294; Jackson, Andrew/0000-0002-6296-0336; Anovitz, Lawrence/0000-0002-2609-8750; Littrell, Kenneth/0000-0003-2308-8618 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy; Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences through the Energy Frontier Research Center - Nanoscale Control of Geologic CO2; National Science Foundation [DMR-0944772]; Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy [93ER14389] FX Effort by L.M.A., G.R. and L.F.A. was supported by research sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. D.R.C. was funded by the Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences through the Energy Frontier Research Center - Nanoscale Control of Geologic CO2. We acknowledge the support of the National Institute of Standards and Technology, Center for Neutron Research, U.S. Department of Commerce, and the High-Flux Isotope Reactor at the Oak Ridge National Laboratory in providing the research neutron facilities used in this work. This work utilized facilities supported in part by the National Science Foundation under agreement No. DMR-0944772. Certain commercial equipment, instruments, materials and software are identified in this paper to foster understanding. Such identification does not imply recommendation or endorsement by the National Institute of Standards and Technology, the Department of Energy, or the Oak Ridge National Laboratory, nor does it imply that the materials or equipment identified are necessarily the best available for the purpose. John Valley, Mike Spicuzza, Anthony Pollington, and Brian Hess at the University of Wisconsin-Madison provided samples as part of research sponsored by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy under contract 93ER14389 at the University of Wisconsin-Madison. Help and comments from Dr. Hsiu-Wen Wang were greatly appreciated. Atomic Adsorption analyses were performed by Leslie Wilson at ORNL. We would also like to thank Dr. Michael Schmid, Institut fur Angewandte Physik, Technische Universitat Wien, for his help with the ImageJ plugins for calculating the autocorrelation functions and scattering curves from the BSE images. NR 83 TC 6 Z9 6 U1 9 U2 47 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 2015 VL 158 BP 199 EP 222 DI 10.1016/j.gca.2015.01.028 PG 24 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CH2XU UT WOS:000353889500012 ER PT J AU Huang, MT Piao, SL Sun, Y Ciais, P Cheng, L Mao, JF Poulter, B Shi, XY Zeng, ZZ Wang, YP AF Huang, Mengtian Piao, Shilong Sun, Yan Ciais, Philippe Cheng, Lei Mao, Jiafu Poulter, Ben Shi, Xiaoying Zeng, Zhenzhong Wang, Yingping TI Change in terrestrial ecosystem water-use efficiency over the last three decades SO GLOBAL CHANGE BIOLOGY LA English DT Article DE climate change; CO2 enrichment; nitrogen deposition; process-based model; remote-sensing; water-use efficiency ID ATMOSPHERIC CARBON-DIOXIDE; NET PRIMARY PRODUCTION; FUTURE CLIMATE-CHANGE; DIFFERENCE VEGETATION INDEX; ELEVATED CO2 CONCENTRATION; DYNAMIC GLOBAL VEGETATION; LEAF-AREA INDEX; STOMATAL CONDUCTANCE; NITROGEN DEPOSITION; FOREST ECOSYSTEMS AB Defined as the ratio between gross primary productivity (GPP) and evapotranspiration (ET), ecosystem-scale water-use efficiency (EWUE) is an indicator of the adjustment of vegetation photosynthesis to water loss. The processes controlling EWUE are complex and reflect both a slow evolution of plants and plant communities as well as fast adjustments of ecosystem functioning to changes of limiting resources. In this study, we investigated EWUE trends from 1982 to 2008 using data-driven models derived from satellite observations and process-oriented carbon cycle models. Our findings suggest positive EWUE trends of 0.0056, 0.0007 and 0.0001g Cm(-2)mm(-1)yr(-1) under the single effect of rising CO2 (CO2'), climate change (CLIM') and nitrogen deposition (NDEP'), respectively. Global patterns of EWUE trends under different scenarios suggest that (i) EWUE-CO2 shows global increases, (ii) EWUE-CLIM increases in mainly high latitudes and decreases at middle and low latitudes, (iii) EWUE-NDEP displays slight increasing trends except in west Siberia, eastern Europe, parts of North America and central Amazonia. The data-driven MTE model, however, shows a slight decline of EWUE during the same period (-0.0005g Cm(-2)mm(-1)yr(-1)), which differs from process-model (0.0064g Cm(-2)mm(-1)yr(-1)) simulations with all drivers taken into account. We attribute this discrepancy to the fact that the nonmodeled physiological effects of elevated CO2 reducing stomatal conductance and transpiration (TR) in the MTE model. Partial correlation analysis between EWUE and climate drivers shows similar responses to climatic variables with the data-driven model and the process-oriented models across different ecosystems. Change in water-use efficiency defined from transpiration-based WUEt (GPP/TR) and inherent water-use efficiency (IWUEt, GPPxVPD/TR) in response to rising CO2, climate change, and nitrogen deposition are also discussed. Our analyses will facilitate mechanistic understanding of the carbon-water interactions over terrestrial ecosystems under global change. C1 [Huang, Mengtian; Piao, Shilong; Sun, Yan; Zeng, Zhenzhong] Peking Univ, Coll Urban & Environm Sci, Sinofrench Inst Earth Syst Sci, Beijing 100871, Peoples R China. [Piao, Shilong] Chinese Acad Sci, Inst Tibetan Plateau Res, Ctr Excellence Tibetan Earth Sci, Key Lab Alpine Ecol & Biodivers, Beijing 100085, Peoples R China. [Ciais, Philippe] LSCE, UMR, CEA, CNRS,CE, F-91191 Gif Sur Yvette, France. [Cheng, Lei] CSIRO Land & Water Flagship, Canberra, ACT 2601, Australia. [Mao, Jiafu; Shi, Xiaoying] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Mao, Jiafu; Shi, Xiaoying] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Poulter, Ben] Montana State Univ, Inst Ecosyst, Bozeman, MT 59717 USA. [Poulter, Ben] Montana State Univ, Dept Ecol, Bozeman, MT 59717 USA. [Wang, Yingping] CSIRO, Ocean & Atmosphere Flagship, Aspendale, Vic 3195, Australia. RP Piao, SL (reprint author), Peking Univ, Coll Urban & Environm Sci, Sinofrench Inst Earth Syst Sci, Beijing 100871, Peoples R China. EM slpiao@pku.edu.cn RI Cheng, Lei/J-5552-2013; Mao, Jiafu/B-9689-2012; wang, yp/A-9765-2011; OI Mao, Jiafu/0000-0002-2050-7373; Poulter, Benjamin/0000-0002-9493-8600 FU National Natural Science Foundation of China [41125004]; Chinese Ministry of Environmental Protection Grant [201209031]; 111 Project [B14001]; National Youth Top-notch Talent Support Program in China; DOE [DE-AC05-00OR22725] FX We thank Dr. Jung for satellite derived ET and GPP product. This study was supported by the National Natural Science Foundation of China (41125004), Chinese Ministry of Environmental Protection Grant (201209031), the 111 Project (B14001), and the National Youth Top-notch Talent Support Program in China. Jiafu Mao and Xiaoying Shi's time is supported by the US Department of Energy (DOE), Office of Science, Biological, and Environmental Research. Oak Ridge National Laboratory is managed by UT-BATTELLE for DOE under contract DE-AC05-00OR22725. The simulation of CLM was supported by the US Department of Energy (DOE), Office of Science, Biological, and Environmental Research. NR 96 TC 16 Z9 16 U1 23 U2 145 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 EI 1365-2486 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD JUN PY 2015 VL 21 IS 6 BP 2366 EP 2378 DI 10.1111/gcb.12873 PG 13 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA CH4BZ UT WOS:000353977500023 PM 25612078 ER PT J AU Kumbhani, SR Cline, TS Killian, MC Clark, JM Keeton, WJ Hansen, LD Shirts, RB Robichaud, DJ Hansen, JC AF Kumbhani, Sambhav R. Cline, Taylor S. Killian, Marie C. Clark, Jared M. Keeton, William J. Hansen, Lee D. Shirts, Randall B. Robichaud, David J. Hansen, Jaron C. TI Water Vapor Enhancement of Rates of Peroxy Radical Reactions SO INTERNATIONAL JOURNAL OF CHEMICAL KINETICS LA English DT Article ID UV ABSORPTION-SPECTRUM; HO2 SELF-REACTION; GAS-PHASE; ATMOSPHERIC CHEMISTRY; HOCH2CH2O2 RADICALS; TEMPERATURE-DEPENDENCE; RATE COEFFICIENTS; KINETICS; COMPLEXES; SPECTROSCOPY AB Peroxy radicals can complex with water vapor. These complexes affect tropospheric chemistry. In this study, beta-HEP (hydroxyethyl peroxy radical) serves as a model system for investigating the effect of water vapor on the kinetics and product branching ratio of the self-reaction of peroxy radicals. The self-reaction rate coefficient was determined at 274-296 K with water vapor between 1.0 x 10(15) and 2.5 x 10(17) molecules cm (3) at 200 Torr total pressure by slow-flow laser flash photolysis coupled with UV time-resolved spectroscopy and long-path, wavelength modulated, diode-laser spectroscopy. The overall self-reaction rate constant expressed as the product of both a temperature-dependent and water vapor-dependent term is k(0) = 7.8 x 10 (14)exp((8.3 +/- 2.5kJ /mol)/RT) + {(13.2 +/- 1.56) x 10(-44) x exp((79.3 +/- 17.18kJ /mol)/RT) x [H2O]}, suggesting formation of a beta-HEP-H2O complex is responsible for the increase in the self-reaction rate coefficient with increasing water concentration. Complex formation is supported by computational results identifying three local energy minima for the beta-HEP-H2O complex. As the troposphere continues to get warmer and wetter, more of the peroxy radicals present will be complexed with water. Investigating the effect of water vapor on kinetics of atmospherically relevant radicals and determining the effects of these altered kinetics on tropospheric ozone concentrations is thus important. (C) 2015 Wiley Periodicals, Inc. C1 [Kumbhani, Sambhav R.; Cline, Taylor S.; Killian, Marie C.; Clark, Jared M.; Keeton, William J.; Hansen, Lee D.; Shirts, Randall B.; Hansen, Jaron C.] Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA. [Robichaud, David J.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Hansen, JC (reprint author), Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA. EM jhansen@chem.byu.edu FU National Science Foundation [0924146, 1238947] FX Contract grant sponsor: National Science Foundation.; Contract grant numbers: 0924146 and 1238947. NR 55 TC 3 Z9 3 U1 8 U2 43 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0538-8066 EI 1097-4601 J9 INT J CHEM KINET JI Int. J. Chem. Kinet. PD JUN PY 2015 VL 47 IS 6 BP 395 EP 409 DI 10.1002/kin.20917 PG 15 WC Chemistry, Physical SC Chemistry GA CH3ZJ UT WOS:000353969500005 ER PT J AU Zhang, C Li, H Eisenlohr, P Liu, W Boehlert, CJ Crimp, MA Bieler, TR AF Zhang, C. Li, H. Eisenlohr, P. Liu, W. Boehlert, C. J. Crimp, M. A. Bieler, T. R. TI Effect of realistic 3D microstructure in crystal plasticity finite element analysis of polycrystalline Ti-5Al-2.5Sn SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Grain boundaries; Anisotropic material crystal plasticity; Finite elements; Heterogeneous deformation ID STRAIN GRADIENT PLASTICITY; HETEROGENEOUS DEFORMATION; DIFFRACTION MICROSCOPY; ORIENTATION CHANGES; GRAIN-BOUNDARIES; TEXTURE; EBSD; STRESS; TITANIUM; FIELDS AB The effect of constitutive parameters and microstructure on the kinematic and constitutive responses within grains in a crystal plasticity finite element (CPFE) simulation of a polycrystalline titanium alloy are compared with experimental results. The simulation of a Ti5Al-2.5Sn sample deformed in uniaxial tension at room temperature used-a phenomenological power-law based CPFE model, which includes four families of slip systems commonly observed in structural metals with a hexagonal lattice structure. The experimentally characterized microstructure patch was approximated by a quasi-3D columnar grain structure and by a more realistic 3D representation. The quasi-3D microstructure was generated by extending the EBSD characterized surface microstructure in the depth direction, while the 3D microstructure was built based on subsurface orientation information acquired using differential-aperture X-ray microscopy (DAXM). The effect of grain morphology and constitutive parameters on simulation results are compared in terms of stress strain responses and lattice reorientation. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Zhang, C.; Li, H.; Eisenlohr, P.; Boehlert, C. J.; Crimp, M. A.; Bieler, T. R.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. [Liu, W.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Bieler, TR (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. EM bieler@egr.msu.edu OI Eisenlohr, Philip/0000-0002-8220-5995; Zhang, Chen/0000-0001-8374-4467 FU US Department of Energy, Office of Basic Energy Science [DE-FG02-10ER46637]; Michigan State University; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This research was supported by the US Department of Energy, Office of Basic Energy Science through grant No. DE-FG02-10ER46637 and in part by Michigan State University through computational resources provided by the Institute for Cyber-Enabled Research. The authors would like to thank Mr T. Van Daam of Pratt & Whitney, Rocketdyne, for providing the Ti-5Al-2.5Sn alloy used in this study. The DAXM characterization was performed at Beamline 34-ID-E of the Advanced Photon Source. 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. The authors appreciate the support by D. Raabe for an extended summer stay at Max-Planck-Institut fur Eisenforschung, Dusseldorf, and the many inspiring discussions with members of his department. NR 61 TC 14 Z9 14 U1 3 U2 28 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 2015 VL 69 BP 21 EP 35 DI 10.1016/j.ijplas.2015.01.003 PG 15 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA CH3KH UT WOS:000353929100002 ER PT J AU Mishra, KK Quivey, JM Daftari, IK Weinberg, V Cole, TB Patel, K Castro, JR Phillips, TL Char, DH AF Mishra, Kavita K. Quivey, Jeanne M. Daftari, Inder K. Weinberg, Vivian Cole, Tia B. Patel, Kishan Castro, Joseph R. Phillips, Theodore L. Char, Devron H. TI Long-term Results of the UCSF-LBNL Randomized Trial: Charged Particle With Helium Ion Versus Iodine-125 Plaque Therapy for Choroidal and Ciliary Body Melanoma SO INTERNATIONAL JOURNAL OF RADIATION ONCOLOGY BIOLOGY PHYSICS LA English DT Article ID PROTON-BEAM RADIOTHERAPY; LOCAL TREATMENT FAILURE; UVEAL MELANOMA; NEOVASCULAR GLAUCOMA; RADIATION-THERAPY; EPISCLERAL PLAQUE; BRACHYTHERAPY; RECOMMENDATIONS; COMPLICATIONS; IRRADIATION AB Purpose: Relevant clinical data are needed given the increasing national interest in charged particle radiation therapy (CPT) programs. Here we report long-term outcomes from the only randomized, stratified trial comparing CPT with iodine-125 plaque therapy for choroidal and ciliary body melanoma. Methods and Materials: From 1985 to 1991, 184 patients met eligibility criteria and were randomized to receive particle (86 patients) or plaque therapy (98 patients). Patients were stratified by tumor diameter, thickness, distance to disc/fovea, anterior extension, and visual acuity. Tumors close to the optic disc were included. Local tumor control, as well as eye preservation, metastases due to melanoma, and survival were evaluated. Results: Median follow-up times for particle and plaque arm patients were 14.6 years and 12.3 years, respectively (P=.22), and for those alive at last follow-up, 18.5 and 16.5 years, respectively (P=.81). Local control (LC) for particle versus plaque treatment was 100% versus 84% at 5 years, and 98% versus 79% at 12 years, respectively (log rank: P=.0006). If patients with tumors close to the disc (<2 mm) were excluded, CPT still resulted in significantly improved LC: 100% versus 90% at 5 years and 98% versus 86% at 12 years, respectively (log rank: P=.048). Enucleation rate was lower after CPT: 11% versus 22% at 5 years and 17% versus 37% at 12 years, respectively (log rank: P=.01). Using Cox regression model, likelihood ratio test, treatment was the most important predictor of LC (P=.0002) and eye preservation (P=.01). CPT was a significant predictor of prolonged disease-free survival (log rank: P=.001). Conclusions: Particle therapy resulted in significantly improved local control, eye preservation, and disease-free survival as confirmed by long-term outcomes from the only randomized study available to date comparing radiation modalities in choroidal and ciliary body melanoma. (C) 2015 Elsevier Inc. All rights reserved. C1 [Mishra, Kavita K.; Quivey, Jeanne M.; Daftari, Inder K.; Weinberg, Vivian; Patel, Kishan; Castro, Joseph R.; Phillips, Theodore L.] Univ Calif San Francisco, Dept Radiat Oncol, San Francisco, CA 94115 USA. [Quivey, Jeanne M.; Daftari, Inder K.; Castro, Joseph R.; Phillips, Theodore L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Cole, Tia B.; Char, Devron H.] Tumori Fdn, San Francisco, CA USA. [Char, Devron H.] Univ Calif San Francisco, Dept Ophthalmol, San Francisco, CA 94115 USA. [Char, Devron H.] Stanford Univ, Dept Ophthalmol, Palo Alto, CA 94304 USA. RP Mishra, KK (reprint author), Univ Calif San Francisco, Dept Radiat Oncol, 1600 Divisadero St,H-1031, San Francisco, CA 94115 USA. EM Kavita.mishra@ucsf.edu OI Daftari, Inder/0000-0001-8336-4042 FU US National Institutes of Health EYO grant [7504]; NCI [CA 19138 DOE-DE-ACO3-765-F00098] FX This project was supported by US National Institutes of Health EYO grant 7504, NCI CA 19138 DOE-DE-ACO3-765-F00098. NR 36 TC 12 Z9 12 U1 2 U2 7 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0360-3016 EI 1879-355X J9 INT J RADIAT ONCOL JI Int. J. Radiat. Oncol. Biol. Phys. PD JUN 1 PY 2015 VL 92 IS 2 BP 376 EP 383 DI 10.1016/j.ijrobp.2015.01.029 PG 8 WC Oncology; Radiology, Nuclear Medicine & Medical Imaging SC Oncology; Radiology, Nuclear Medicine & Medical Imaging GA CH4FO UT WOS:000353989000028 PM 25841624 ER PT J AU Oh, SY Richter, SG Missiakas, DM Schneewind, O AF Oh, So-Young Richter, Stefan G. Missiakas, Dominique M. Schneewind, Olaf TI Glutamate Racemase Mutants of Bacillus anthracis SO JOURNAL OF BACTERIOLOGY LA English DT Article ID AMINO-ACID AMINOTRANSFERASE; POLY-GAMMA-GLUTAMATE; BINDING PROTEIN 2A; ESCHERICHIA-COLI; ALANINE RACEMASE; CAPSULE SYNTHESIS; SUBTILIS; INHIBITION; MURI; TRANSAMINASE AB D-Glutamate is an essential component of bacterial peptidoglycan and a building block of the poly-gamma-D-glutamic acid (PDGA) capsule of Bacillus anthracis, the causative agent of anthrax. Earlier work suggested that two glutamate racemases, encoded by racE1 and racE2, are each essential for growth of B. anthracis, supplying D-glutamic acid for the synthesis of peptidoglycan and PDGA capsule. Earlier work could not explain, however, why two enzymes that catalyze the same reaction may be needed for bacterial growth. Here, we report that deletion of racE1 or racE2 did not prevent growth of B. anthracis Sterne (pXO1(+) pXO2(-)), the noncapsulating vaccine strain, or of B. anthracis Ames (pXO1(+) pXO2(-)), a fully virulent, capsulating isolate. While mutants with deletions in racE1 and racE2 were not viable, racE2 deletion delayed vegetative growth of B. anthracis following spore germination and caused aberrant cell shapes, phenotypes that were partially restored by exogenous D-glutamate. Deletion of racE1 or racE2 from B. anthracis Ames did not affect the production or stereochemical composition of the PDGA capsule. A model is presented whereby B. anthracis, similar to Bacillus subtilis, utilizes two functionally redundant racemase enzymes to synthesize D-glutamic acid for peptidoglycan synthesis. IMPORTANCE Glutamate racemases, enzymes that convert L-glutamate to D-glutamate, are targeted for antibiotic development. Glutamate racemase inhibitors may be useful for the treatment of bacterial infections such as anthrax, where the causative agent, B. anthracis, requires D-glutamate for the synthesis of peptidoglycan and poly-gamma-D-glutamic acid (PDGA) capsule. Here we show that B. anthracis possesses two glutamate racemase genes that can be deleted without abolishing either bacterial growth or PDGA synthesis. These data indicate that drug candidates must inhibit both glutamate racemases, RacE1 and RacE2, in order to block B. anthracis growth and achieve therapeutic efficacy. C1 [Oh, So-Young; Richter, Stefan G.; Missiakas, Dominique M.; Schneewind, Olaf] Argonne Natl Lab, Howard Taylor Ricketts Lab, Lemont, IL 60439 USA. [Oh, So-Young; Richter, Stefan G.; Missiakas, Dominique M.; Schneewind, Olaf] Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA. RP Schneewind, O (reprint author), Argonne Natl Lab, Howard Taylor Ricketts Lab, Lemont, IL 60439 USA. EM oschnee@bsd.uchicago.edu FU National Institute of Allergy and Infectious Diseases, Infectious Diseases Branch [AI069227] FX This work was supported by a grant from the National Institute of Allergy and Infectious Diseases, Infectious Diseases Branch (AI069227). NR 54 TC 1 Z9 1 U1 1 U2 8 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 2015 VL 197 IS 11 BP 1854 EP 1861 DI 10.1128/JB.00070-15 PG 8 WC Microbiology SC Microbiology GA CH3FR UT WOS:000353914500001 PM 25777674 ER PT J AU Specht, ED Ma, J Delaire, O Budai, JD May, AF Karapetrova, EA AF Specht, E. D. Ma, J. Delaire, O. Budai, J. D. May, A. F. Karapetrova, E. A. TI Nanoscale Structure in AgSbTe2 Determined by Diffuse Elastic Neutron Scattering SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article; Proceedings Paper CT International Conference on Thermoelectrics (ICT) CY JUL 06-10, 2014 CL Nashville, TN DE AgSbTe2; thermoelectric; nanostructure; neutron scattering ID THERMOELECTRICS; AG AB Diffuse elastic neutron scattering measurements have confirmed that AgSbTe2 has a hierarchical structure, with defects on length scales from nanometers to microns. While scattering from this mesoscale structure is consistent with previously proposed structures in which Ag and Sb order on a NaCl lattice, more diffuse scattering from nanoscale structures suggests a structural rearrangement in which hexagonal layers form a combination of (ABC), (ABA), and (AAB) polytypes. Consequently, the AgCrSe2 structure is the best-fitting model for the local atomic arrangements. C1 [Specht, E. D.; Ma, J.; Delaire, O.; Budai, J. D.; May, A. F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Karapetrova, E. A.] Argonne Natl Lab, Lemont, IL USA. RP Specht, ED (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM spechted@ornl.gov RI May, Andrew/E-5897-2011; Ma, Jie/C-1637-2013; BL18, ARCS/A-3000-2012; Budai, John/R-9276-2016 OI May, Andrew/0000-0003-0777-8539; Budai, John/0000-0002-7444-1306 FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; DOE Office of Science [DE-AC02-06CH11357] FX Research supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. 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. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. NR 18 TC 0 Z9 0 U1 2 U2 24 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 2015 VL 44 IS 6 BP 1536 EP 1539 DI 10.1007/s11664-014-3447-0 PG 4 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA CH1WT UT WOS:000353813700025 ER PT J AU Tong, WY Chowdhury, S Mehmani, A Messac, A Zhang, J AF Tong, Weiyang Chowdhury, Souma Mehmani, Ali Messac, Achille Zhang, Jie TI Sensitivity of Wind Farm Output to Wind Conditions, Land Configuration, and Installed Capacity, Under Different Wake Models SO JOURNAL OF MECHANICAL DESIGN LA English DT Article DE Fourier amplitude sensitivity testing; mixed-discrete particle swarm optimization; sensitivity analysis; unrestricted wind farm layout optimization; wake model ID COUPLED REACTION SYSTEMS; RATE COEFFICIENTS; UNCERTAINTIES; OPTIMIZATION; TURBINES; DESIGN AB In conventional wind farm design and optimization, analytical wake models are generally used to estimate the wake-induced power losses. Different wake models often yield significantly dissimilar estimates of wake velocity deficit and wake width. In this context, the wake behavior, as well as the subsequent wind farm power generation, can be expressed as functions of a series of key factors. A quantitative understanding of the relative impact of each of these key factors, particularly under the application of different wake models, is paramount to reliable quantification of wind farm power generation. Such an understanding is however not readily evident in the current state of the art in wind farm design. To fill this important gap, this paper develops a comprehensive sensitivity analysis (SA) of wind farm performance with respect to the key natural and design factors. Specifically, the sensitivities of the estimated wind farm power generation and maximum farm output potential are investigated with respect to the following key factors: (i) incoming wind speed, (ii) ambient turbulence, (iii) land area per MW installed, (iv) land aspect ratio, and (v) nameplate capacity. The extended Fourier amplitude sensitivity test (e-FAST), which helpfully provides a measure of both first-order and total-order sensitivity indices, is used for this purpose. The impact of using four different analytical wake models (i. e., Jensen, Frandsen, Larsen, and Ishihara models) on the wind farm SA is also explored. By applying this new SA framework, it was observed that, when the incoming wind speed is below the turbine rated speed, the impact of incoming wind speed on the wind farm power generation is dominant, irrespective of the choice of wake models. Interestingly, for array-like wind farms, the relative importance of each input parameter was found to vary significantly with the choice of wake models, i. e., appreciable differences in the sensitivity indices (of up to 70%) were observed across the different wake models. In contrast, for optimized wind farm layouts, the choice of wake models was observed to have marginal impact on the sensitivity indices. C1 [Tong, Weiyang; Mehmani, Ali] Syracuse Univ, Multidisciplinary Design & Optimizat Lab, Dept Mech & Aerosp Engn, Syracuse, NY 13244 USA. [Chowdhury, Souma] Mississippi State Univ, Dept Aerosp Engn, Ctr Adv Vehicular Syst, Starkville, MS 39759 USA. [Messac, Achille] Mississippi State Univ, Dept Aerosp Engn, Mississippi State, MS 39762 USA. [Zhang, Jie] Natl Renewable Energy Lab, Transmiss & Grid Integrat Grp, Golden, CO 80401 USA. RP Messac, A (reprint author), Mississippi State Univ, Dept Aerosp Engn, Mississippi State, MS 39762 USA. EM wtong@syr.edu; chowdhury@bagley.msstate.edu; amehmani@syr.edu; messac@ae.msstate.edu; jie.zhang@nrel.gov FU National Science Foundation [CMMI-1100948, CMMI-1437746] FX Support from the National Science Foundation Award Nos. CMMI-1100948 and CMMI-1437746 is gratefully acknowledged. Any opinions, findings, conclusions, or recommendations expressed in this paper are those of the authors and do not necessarily reflect the views of the NSF. NR 54 TC 1 Z9 1 U1 3 U2 12 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 1050-0472 J9 J MECH DESIGN JI J. Mech. Des. PD JUN PY 2015 VL 137 IS 6 AR 061403 DI 10.1115/1.4029892 PG 11 WC Engineering, Mechanical SC Engineering GA CH3GT UT WOS:000353918100003 ER PT J AU Furno, I Avino, F Bovet, A Diallo, A Fasoli, A Gustafson, K Iraji, D Labit, B Loizu, J Muller, SH Plyushchev, G Podesta, M Poli, FM Ricci, P Theiler, C AF Furno, I. Avino, F. Bovet, A. Diallo, A. Fasoli, A. Gustafson, K. Iraji, D. Labit, B. Loizu, J. Mueller, S. H. Plyushchev, G. Podesta, M. Poli, F. M. Ricci, P. Theiler, C. TI Plasma turbulence, suprathermal ion dynamics and code validation on the basic plasma physics device TORPEX SO JOURNAL OF PLASMA PHYSICS LA English DT Article ID DRIVEN TOROIDAL PLASMA; CYCLOTRON; TOKAMAK; TCV AB The TORPEX basic plasma physics device at the Center for Plasma Physics Research (CRPP) in Lausanne, Switzerland is described. In TORPEX, simple magnetized toroidal configurations, a paradigm for the tokamak scrape-off layer (SOL), as well as more complex magnetic geometries of direct relevance for fusion are produced. Plasmas of different gases are created and sustained by microwaves in the electron-cyclotron (EC) frequency range. Full diagnostic access allows for a complete characterization of plasma fluctuations and wave fields throughout the entire plasma volume, opening new avenues to validate numerical codes. We detail recent advances in the understanding of basic aspects of plasma turbulence, including its development from linearly unstable electrostatic modes, the formation of filamentary structures, or blobs, and its influence on the transport of energy, plasma bulk and suprathermal ions. We present a methodology for the validation of plasma turbulence codes, which focuses on quantitative assessment of the agreement between numerical simulations and TORPEX experimental data. C1 [Furno, I.; Avino, F.; Bovet, A.; Labit, B.; Mueller, S. H.; Plyushchev, G.; Ricci, P.; Theiler, C.] Ecole Polytech Fed Lausanne, Ctr Rech Phys Plasmas, CH-1015 Lausanne, Switzerland. [Diallo, A.; Loizu, J.; Podesta, M.; Poli, F. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Gustafson, K.] Ecole Polytech Fed Lausanne, Sch Life Sci, Inst Bioengn, CH-1015 Lausanne, Switzerland. [Iraji, D.; Loizu, J.] ENEA CNR Assoc, IFP, I-20125 Milan, Italy. RP Furno, I (reprint author), Ecole Polytech Fed Lausanne, Ctr Rech Phys Plasmas, CH-1015 Lausanne, Switzerland. EM ivo.furno@epfl.ch RI poli, francesca/C-2226-2008; EPFL, Physics/O-6514-2016; OI poli, francesca/0000-0003-3959-4371; Gustafson, Kyle/0000-0002-1903-9015; Theiler, Christian/0000-0003-3926-1374 FU Swiss National Science Foundation FX The authors would like to thank the CRPP technical team for their essential support. Fruitful discussions with members of the team Superdiffusive Transport in Space Plasmas and its Influence on Energetic Particle Acceleration and Propagation at the ISSI are acknowledged. This work was supported in part by the Swiss National Science Foundation. NR 80 TC 4 Z9 4 U1 1 U2 18 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-3778 EI 1469-7807 J9 J PLASMA PHYS JI J. Plasma Phys. PD JUN PY 2015 VL 81 AR 345810301 DI 10.1017/S0022377815000161 PN 3 PG 22 WC Physics, Fluids & Plasmas SC Physics GA CH8MS UT WOS:000354291100020 ER PT J AU Gunaratne, KDD Prabhakaran, V Johnson, GE Laskin, J AF Gunaratne, K. Don D. Prabhakaran, Venkateshkumar Johnson, Grant E. Laskin, Julia TI Gas-Phase Fragmentation Pathways of Mixed Addenda Keggin Anions: PMo12-nWnO40 (3-) (n=0-12) SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article DE Collision-induced dissociation; Anions; Mixed addenda Keggin; Polyoxometalate; Lindqvist; Isomerization; Electron detachment; Electrospray ionization ID MASS-SPECTROMETRY; HETEROPOLY BLUES; ALPHA-KEGGIN; PHOTOELECTRON-SPECTROSCOPY; VIBRATIONAL FREQUENCIES; SUBSTITUTED KEGGIN; BUILDING-BLOCKS; ELECTROSPRAY; CATALYSIS; MO AB We report a collision-induced dissociation (CID) investigation of the mixed addenda polyoxometalate (POM) anions, PMo12-nWnO40 (3-) (n = 0-12). The anions were generated in solution using a straightforward single-step synthesis approach and introduced into the gas phase by electrospray ionization (ESI). Distinct differences in fragmentation patterns were observed for the range of mixed addenda POMs examined in this study. CID of molybdenum-rich anions, PMo12-nWnO40 (3-) (n = 0-2), generates an abundant doubly charged fragment containing seven metal atoms (M) and 22 oxygen atoms (M7O22 (2-)) and its complementary singly charged PM5O18 (-) ion. In comparison, the doubly charged Lindqvist anion, (M6O19 (2-)) and its complementary singly charged PM6O21 (-) ion are the dominant fragments of Keggin POMs containing more than two tungsten atoms, PMo12-nWnO40 (3-) (n = 3-12). The observed transition in the dissociation pathways with an increase in the number of W atoms in the POM may be attributed to the higher barrier of tungsten-rich anions towards isomerization. We present evidence that the observed distribution of Mo and W atoms in the major M6O19 (2-) and M7O22 (2-) fragment ions is different from that predicted by a random distribution, indicating substantial segregation of the addenda metal atoms in the POMs. Charge reduction of the triply charged precursor anion resulting in formation of doubly charged anions is also observed. This is a dominant pathway for mixed POMs having a majority (8-11) of W atoms and a minor channel for other precursors indicating a close competition between fragmentation and charge loss pathways in CID of POM anions. C1 [Gunaratne, K. Don D.; Prabhakaran, Venkateshkumar; Johnson, Grant E.; Laskin, Julia] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. RP Laskin, J (reprint author), Pacific NW Natl Lab, Div Phys Sci, MSIN K8-88,POB 999, Richland, WA 99352 USA. EM Julia.Laskin@pnnl.gov RI Prabhakaran, Venkateshkumar/C-5023-2009; Laskin, Julia/H-9974-2012; OI Prabhakaran, Venkateshkumar/0000-0001-6692-6488; Laskin, Julia/0000-0002-4533-9644; Johnson, Grant/0000-0003-3352-4444 FU U.S. Department of Energy (DOE) Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; DOE's Office of Biological and Environmental Research FX The authors acknowledge support for this work by the U.S. Department of Energy (DOE) Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. This work was performed using EMSL, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at PNNL. PNNL is operated by Battelle for the U.S. DOE. NR 61 TC 3 Z9 3 U1 3 U2 35 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1044-0305 EI 1879-1123 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD JUN PY 2015 VL 26 IS 6 BP 1027 EP 1035 DI 10.1007/s13361-015-1090-5 PG 9 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA CH5OE UT WOS:000354084400022 PM 25832027 ER PT J AU Stringer, S Tommerdahl, J AF Stringer, Steve Tommerdahl, Jodi TI Building Bridges Between Neuroscience, Cognition and Education With Predictive Modeling SO MIND BRAIN AND EDUCATION LA English DT Article; Proceedings Paper CT 5th International-Mind-Brain-and-Education-Society (IMBES) Conference CY NOV 06-08, 2014 CL Fort Worth, TX SP Int Mind Brain & Educ Soc ID EVENT-RELATED POTENTIALS; BRAIN-DEVELOPMENT; LANGUAGE-DEVELOPMENT; DISCRIMINATION; DEFICITS; DISORDERS; ERP AB As the field of Mind, Brain, and Education seeks new ways to credibly bridge the gap between neuroscience, the cognitive sciences, and education, various connections are being developed and tested. This article presents a framework and offers examples of one approach, predictive modeling within a virtual educational system that can include representations from the neural level to the policy level. Researchers could calibrate, test, and question the model, potentially providing quicker, more efficient, and more responsible ways of making advances in the developing educational field. Virtual investigations using models with this sort of capability can supplement the valuable information derived from carrying out policy and instructional experiments in real educational contexts. C1 [Stringer, Steve] Los Alamos Natl Lab, Feynman Ctr Innovat, Los Alamos, NM 87544 USA. [Tommerdahl, Jodi] Univ Texas Arlington, Dept Curriculum & Instruct, Southwest Ctr Mind Brain & Educ, Arlington, TX USA. RP Stringer, S (reprint author), Los Alamos Natl Lab, Feynman Ctr Innovat, Los Alamos, NM 87544 USA. EM stringer@lanl.gov NR 39 TC 1 Z9 1 U1 3 U2 13 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1751-2271 EI 1751-228X J9 MIND BRAIN EDUC JI Mind Brain Educ. PD JUN PY 2015 VL 9 IS 2 BP 121 EP 126 DI 10.1111/mbe.12076 PG 6 WC Education & Educational Research; Psychology, Developmental SC Education & Educational Research; Psychology GA CH7KX UT WOS:000354216300010 ER PT J AU Wang, MQ Harvey, H AF Wang, Michael Q. Harvey, Hal TI Chinese transport: achievements and challenges of transport policies SO MITIGATION AND ADAPTATION STRATEGIES FOR GLOBAL CHANGE LA English DT Editorial Material C1 [Wang, Michael Q.] Argonne Natl Lab, Div Energy Syst, Syst Assessment Grp, Argonne, IL 60439 USA. [Harvey, Hal] Energy Innovat LLC, San Francisco, CA 94111 USA. RP Wang, MQ (reprint author), Argonne Natl Lab, Div Energy Syst, Syst Assessment Grp, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mqwang@anl.gov; hal@energyinnovation.org NR 10 TC 0 Z9 0 U1 1 U2 8 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1381-2386 EI 1573-1596 J9 MITIG ADAPT STRAT GL JI Mitig. Adapt. Strateg. Glob. Chang. PD JUN PY 2015 VL 20 IS 5 SI SI BP 623 EP 626 DI 10.1007/s11027-015-9647-y PG 4 WC Environmental Sciences SC Environmental Sciences & Ecology GA CH7GF UT WOS:000354203200001 ER PT J AU Huo, H Zheng, B Wang, M Zhang, Q He, KB AF Huo, Hong Zheng, Bo Wang, Michael Zhang, Qiang He, Ke-Bin TI Vehicular air pollutant emissions in China: evaluation of past control policies and future perspectives SO MITIGATION AND ADAPTATION STRATEGIES FOR GLOBAL CHANGE LA English DT Article DE Vehicle emissions; Emission standards; Yellow-labeled vehicles; Scenario analysis; China ID DUTY GASOLINE VEHICLES; ON-BOARD MEASUREMENTS; ELECTRIC VEHICLES; OWNERSHIP; WORLDWIDE; CITIES AB Transportation constitutes one of the largest sources of air pollution emissions in China. A series of measures have been taken to control vehicle emissions. In this study, we simulate the effects of the major vehicle control policies implemented in China and those to be implemented in the future by performing scenario analyses. As a result of the three stages of vehicle emission standards (states I, II, and III), the average emission factors (g/km) of light-duty gasoline vehicles in China for carbon monoxide (CO), volatile organic compounds, nitrogen oxides, and particulate matter measuring less than 2.5 mu m in diameter were reduced by 78, 88, 90, and 85 %, respectively, between 2000 and 2012. Those of heavy-duty diesel vehicles were reduced by 66, 65, 30, and 67 %. If no emission standards had been implemented in that period, the levels of vehicle emissions in China would have been increased by two to six times the levels measured in 2000, as of 2012; the standards therefore helped to reduce emissions by 50-83 % between 2000 and 2012 compared to the uncontrolled scenario. In Beijing and Shanghai, where the standards were implemented earlier than in the rest of the country, the standards achieved greater reductions. In the future, if no new measures are taken, vehicle emissions (except CO) will continue to increase until 2020. Implementing the more stringent standards of states IV and V is very important to lowering future vehicle emissions, and the earlier the standards are in place, the greater the benefits they will provide. Phasing out old vehicles could accelerate emission reductions. C1 [Huo, Hong] Tsinghua Univ, Inst Energy Environm & Econ, Beijing 100084, Peoples R China. [Zheng, Bo; He, Ke-Bin] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Wang, Michael] Argonne Natl Lab, Div Energy Syst, Syst Assessment Grp, Argonne, IL 60439 USA. [Zhang, Qiang] Tsinghua Univ, Ctr Earth Syst Sci, Beijing 100084, Peoples R China. RP Huo, H (reprint author), Tsinghua Univ, Inst Energy Environm & Econ, Beijing 100084, Peoples R China. EM hhuo@tsinghua.edu.cn RI Zhang, Qiang/D-9034-2012 FU China's National Basic Research Program [2014CB441301]; National Science Foundation of China [41175124, 41222036, 71322304]; Tsinghua University Initiative Research Program [2011Z01026] FX This study is funded by China's National Basic Research Program (2014CB441301), the National Science Foundation of China (41175124 41222036, and 71322304), and the Tsinghua University Initiative Research Program (2011Z01026). NR 32 TC 6 Z9 6 U1 12 U2 49 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1381-2386 EI 1573-1596 J9 MITIG ADAPT STRAT GL JI Mitig. Adapt. Strateg. Glob. Chang. PD JUN PY 2015 VL 20 IS 5 SI SI BP 719 EP 733 DI 10.1007/s11027-014-9613-0 PG 15 WC Environmental Sciences SC Environmental Sciences & Ecology GA CH7GF UT WOS:000354203200007 ER PT J AU Jin, YF Wang, Z Gong, HM Zheng, TL Bao, X Fan, JR Wang, M Guo, M AF Jin, Yue-Fu Wang, Zhao Gong, Hui-Ming Zheng, Tian-Lei Bao, Xiang Fan, Jia-Rui Wang, Michael Guo, Miao TI Review and evaluation of China's standards and regulations on the fuel consumption of motor vehicles SO MITIGATION AND ADAPTATION STRATEGIES FOR GLOBAL CHANGE LA English DT Article DE Auto industry; Automotive energy conservation; Fuel consumption; CO2 emissions; Standards and regulations AB Owing to fast-growing vehicle sales, China began in 2001 to develop vehicle energy conservation policies to help solve oil security and carbon dioxide (CO2) emissions problems, and it has established a vehicle fuel consumption regulation system to contain vehicle fuel consumption growth. This regulation system includes technical standards, management rules, and fiscal policies. The system covers passenger cars, light-duty commercial vehicles, and heavy-duty commercial vehicles. This paper presents fuel consumption test methods, fuel consumption limits, and fuel consumption labeling standards for these vehicle categories. It also discusses the enforcement of these standards and their associated impacts on oil savings and CO2 emission reductions, identifies problems with the policy implementation from both technical and administrative perspectives, and proposes recommendations to improve the current vehicle fuel consumption regulation system. In particular, we recommend that the central government improve the jurisdictional authority for vehicle energy conservation by clearly clarifying the responsibilities of different ministries, develop a long-term vision and middle-term targets to guide the policy and technology development, and strengthen the policy enforcement monitoring and evaluation. C1 [Jin, Yue-Fu; Wang, Zhao; Zheng, Tian-Lei; Bao, Xiang; Fan, Jia-Rui; Guo, Miao] China Automot Technol & Res Ctr CATARC, Auto Standardizat Res Inst, Tianjin 300300, Peoples R China. [Gong, Hui-Ming] Energy Fdn China, Beijing 100004, Peoples R China. [Wang, Michael] US DOE, Argonne Natl Lab, Argonne, IL 60439 USA. RP Wang, Z (reprint author), China Automot Technol & Res Ctr CATARC, Auto Standardizat Res Inst, 68 East Xianfeng Rd, Tianjin 300300, Peoples R China. EM zhengtianlei@catarc.ac.cn; mqwang@anl.gov FU Energy Foundation China FX The authors acknowledge the financial support received from the Energy Foundation China over the past 14 years. We are also grateful to Ms. Yan Xin of the Energy Foundation China; Mr. Drew Kodjak and Ms. Hui He of the International Council for Clean Transportation; and Ms. Freda Fung, formerly with the International Council for Clean Transportation for their inputs and suggestions. NR 22 TC 1 Z9 1 U1 1 U2 16 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1381-2386 EI 1573-1596 J9 MITIG ADAPT STRAT GL JI Mitig. Adapt. Strateg. Glob. Chang. PD JUN PY 2015 VL 20 IS 5 SI SI BP 735 EP 753 DI 10.1007/s11027-015-9636-1 PG 19 WC Environmental Sciences SC Environmental Sciences & Ecology GA CH7GF UT WOS:000354203200008 ER PT J AU Zhou, Y Wang, M Hao, H Johnson, L Wang, HW Hao, H AF Zhou, Yan Wang, Michael Hao, Han Johnson, Larry Wang, Hewu Hao, Han TI Plug-in electric vehicle market penetration and incentives: a global review SO MITIGATION AND ADAPTATION STRATEGIES FOR GLOBAL CHANGE LA English DT Article DE Global vehicle sales; Government incentive policies; Plug-in electric vehicles; Vehicle market penetration ID CHINA; POLICIES; ENERGY AB Plug-in electric vehicles (PEVs) have been commercially available in the global market for about 3 years. Many countries have policies designed to stimulate consumer acceptance and accelerate market adoption. In the United States (U.S.), the biggest PEV market, sales have more than tripled since 2011. During the same period, PEV sales have increased, albeit slowly, in most western European countries. Notably, some European countries, such as Norway, showed strong increases mainly owing to generous incentives to PEV consumers. Japan is the second-largest PEV market in terms of number of vehicles sold. The Nissan battery electric vehicle (BEV) Leaf is the top-selling PEV model, with more than 100,000 units sold globally since its launch in 2010. In contrast, after 3 years of policy stimulation, PEV market share in China is still lower than 0.1 % of total car sales, and most of these vehicles were purchased by either central or local governments. However, PEV bus production in China has increased dramatically over last 3 years. These market trends, together with strong government policies, show that national and regional PEV-related incentives in selected countries can play an important role in jump-starting the PEV market. C1 [Zhou, Yan; Wang, Michael; Hao, Han] Argonne Natl Lab, Div Energy Syst, Syst Assessment Grp, Lemont, IL 60439 USA. [Johnson, Larry] Argonne Natl Lab, Transportat Technol R&D Ctr, Lemont, IL 60439 USA. [Wang, Hewu; Hao, Han] Tsinghua Univ, State Key Lab Automot Safety & Energy, Beijing 100084, Peoples R China. RP Zhou, Y (reprint author), Argonne Natl Lab, Div Energy Syst, Syst Assessment Grp, 9700 S Cass Ave, Lemont, IL 60439 USA. EM yzhou@anl.gov FU Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; Vehicle Technology Office, Energy Efficiency and Renewable Energy Office; Ministry of Science and Technology of China [2011DFA60650, 2012DFA81190, 2013BAG06B02] 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. The US Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. The efforts of Yan Zhou, Michael Wang, and Larry Johnson of Argonne National Laboratory are supported by the Vehicle Technology Office, Energy Efficiency and Renewable Energy Office. The authors would like to thank Mr. Anant Vyas of Argonne National Laboratory for his earlier HEV/PEV data collection efforts and helpful comments. The efforts of Hewu Wang and Han Hao were supported by the Ministry of Science and Technology of China, under contact Nos. 2011DFA60650, 2012DFA81190, and 2013BAG06B02. NR 27 TC 11 Z9 12 U1 7 U2 47 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1381-2386 EI 1573-1596 J9 MITIG ADAPT STRAT GL JI Mitig. Adapt. Strateg. Glob. Chang. PD JUN PY 2015 VL 20 IS 5 SI SI BP 777 EP 795 DI 10.1007/s11027-014-9611-2 PG 19 WC Environmental Sciences SC Environmental Sciences & Ecology GA CH7GF UT WOS:000354203200010 ER PT J AU Bartholome, J Mandrou, E Mabiala, A Jenkins, J Nabihoudine, I Klopp, C Schmutz, J Plomion, C Gion, JM AF Bartholome, Jerome Mandrou, Eric Mabiala, Andre Jenkins, Jerry Nabihoudine, Ibouniyamine Klopp, Christophe Schmutz, Jeremy Plomion, Christophe Gion, Jean-Marc TI High-resolution genetic maps of Eucalyptus improve Eucalyptusgrandis genome assembly SO NEW PHYTOLOGIST LA English DT Article DE Eucalyptus; genetic mapping; genome assembly; segregation distortion; single nucleotide polymorphism (SNP) array ID NUCLEAR-DNA CONTENT; LINKAGE MAPS; HIGH-THROUGHPUT; MICROSATELLITE MARKERS; SEGREGATION DISTORTION; ARABIDOPSIS-THALIANA; POLLEN COMPETITION; PSEUDO-BACKCROSS; LINKED FACTORS; GRANDIS AB Genetic maps are key tools in genetic research as they constitute the framework for many applications, such as quantitative trait locus analysis, and support the assembly of genome sequences. The resequencing of the two parents of a cross between Eucalyptus urophylla and Eucalyptusgrandis was used to design a single nucleotide polymorphism (SNP) array of 6000 markers evenly distributed along the E.grandis genome. The genotyping of 1025 offspring enabled the construction of two high-resolution genetic maps containing 1832 and 1773 markers with an average marker interval of 0.45 and 0.5cM for E.grandis and E.urophylla, respectively. The comparison between genetic maps and the reference genome highlighted 85% of collinear regions. A total of 43 noncollinear regions and 13 nonsynthetic regions were detected and corrected in the new genome assembly. This improved version contains 4943 scaffolds totalling 691.3Mb of which 88.6% were captured by the 11 chromosomes. The mapping data were also used to investigate the effect of population size and number of markers on linkage mapping accuracy. This study provides the most reliable linkage maps for Eucalyptus and version 2.0 of the E.grandis genome. C1 [Bartholome, Jerome; Gion, Jean-Marc] CIRAD, UMR AGAP, F-33612 Cestas, France. [Bartholome, Jerome; Mandrou, Eric; Plomion, Christophe; Gion, Jean-Marc] INRA, BIOGECO UMR1202, F-33610 Cestas, France. [Bartholome, Jerome; Mandrou, Eric; Plomion, Christophe; Gion, Jean-Marc] Univ Bordeaux, BIOGECO, UMR 1202, F-33600 Pessac, France. [Mandrou, Eric; Nabihoudine, Ibouniyamine; Klopp, Christophe] INRA, Biometrie & Intelligence Artificielle, Plate Forme Bioinformat Genotoul, F-31326 Castanet Tolosan, France. [Mabiala, Andre] CRDPI, Pointe Noire, Rep Congo. [Jenkins, Jerry; Schmutz, Jeremy] HudsonAlpha Inst Biotechnol, Huntsville, AL 35801 USA. [Schmutz, Jeremy] US Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA. RP Gion, JM (reprint author), CIRAD, UMR AGAP, F-33612 Cestas, France. EM jean-marc.gion@cirad.fr OI Bartholome, Jerome/0000-0002-0855-3828; Christophe, KLOPP/0000-0001-7126-5477 FU FEDER (ABIOGEN project) [Presage 32973]; ERANET Plant KBBE, '34Joule' [ANR (FR)-10-KBBE-0007]; BIOS department of CIRAD FX The authors would like to thank CRDPI in the Republic of the Congo. The authors also thank Matthieu Falque who provided the R script for Fig. 5. This study was supported by grants from FEDER (ABIOGEN project, no. Presage 32973) and ERANET Plant KBBE (ANR (FR)-10-KBBE-0007, '34Joule'). J.B. received a PhD fellowship from the BIOS department of CIRAD. NR 85 TC 15 Z9 15 U1 3 U2 25 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 2015 VL 206 IS 4 SI SI BP 1283 EP 1296 DI 10.1111/nph.13150 PG 14 WC Plant Sciences SC Plant Sciences GA CH8AG UT WOS:000354257400012 PM 25385325 ER PT J AU Howard, NT Holland, C White, AE Greenwald, M Candy, J AF Howard, N. T. Holland, C. White, A. E. Greenwald, M. Candy, J. TI Fidelity of reduced and realistic electron mass ratio multi-scale gyrokinetic simulations of tokamak discharges SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 13th International Fast Ignition Workshop CY SEP 14-18, 2014 CL Oxford, UNITED KINGDOM SP Science and Technology Facilities Council (STFC), AWE plc DE plasma turbulence; gyrokinetics; transport ID TEMPERATURE-GRADIENT TURBULENCE; MODEL AB The first study using multi-scale (coupled ITG/TEM/ETG) gyrokinetic simulations at both reduced and realistic electron mass ratios, mu = (m(D)/m(e))(.5) = 20.0, 40.0 and 60.0, has been performed on a standard, Alcator C-Mod, L-mode discharge. Ion-scale (k(theta rho s) similar to 1.0) and multi-scale (up to k(theta rho e) similar to 0.8) gyrokinetic simulations are compared at different simulated mass ratios to investigate the fidelity of reduced electron mass ratio, multi-scale simulation through direct comparison with realistic mass ratio, multi-scale simulation. Detailed description of both the numerical setup and the turbulent scales required to obtain meaningful coupled ITG/TEM/ETG simulation is presented. Significant high-k driven (TEM/ETG) heat flux is found to exist at scales of approximately k(theta rho e) similar to 0.1 at all mass ratios but can only be obtained by simulation capturing turbulence up to k(theta rho e) similar to 1.0. At slightly reduced mass ratio, mu = 40.0, qualitative agreement with realistic mass simulation can be obtained in the studied discharge, consistent with intuition obtained from linear stability analysis. However, realistic electron mass is required for any robust quantitative comparison with experimental heat fluxes for the condition studied, as significant differences are observed at even slightly reduced electron mass ratio. The details of this numerical study are presented to provide a basis for future studies utilizing coupled ITG/TEM/ETG gyrokinetic simulation. C1 [Howard, N. T.] ORISE, Oak Ridge, TN 37831 USA. [Holland, C.] Univ Calif San Diego, La Jolla, CA 92093 USA. [White, A. E.; Greenwald, M.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Candy, J.] Gen Atom, San Diego, CA 92121 USA. RP Howard, NT (reprint author), ORISE, Oak Ridge, TN 37831 USA. EM nthoward@psfc.mit.edu FU Office of Science of the US Department of Energy [DE-AC02-05CH11231]; DOE [DE-FC02-99ER54512-CMOD]; US DOE Fusion Energy Postdoctoral Research Program FX The authors thank the Alcator C-Mod team. A specific thanks to Drs M Reinke and J Rice for the ion temperature and rotation profiles and Dr R Waltz for the development of the GYRO code. Computer simulations are part of research performed for the Center for Simulation of Plasma Microturbulence (CSPM) and were carried out at the National Energy Research Scientific Computing Center, supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. This work was also supported by DOE contract-DE-FC02-99ER54512-CMOD and in part by an appointment to the US DOE Fusion Energy Postdoctoral Research Program administered by ORISE. NR 28 TC 8 Z9 9 U1 0 U2 4 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 2015 VL 57 IS 6 AR 065009 DI 10.1088/0741-3335/57/6/065009 PG 11 WC Physics, Fluids & Plasmas SC Physics GA CH8CT UT WOS:000354264300016 ER PT J AU Martin, EH Goniche, M Klepper, CC Hillairet, J Isler, RC Bottereau, C Colas, L Ekedahl, A Panayotis, S Pegourie, B Lotte, P Colledani, G Caughman, JB Harris, JH Hillis, DL Shannon, SC Clairet, F Litaudon, X AF Martin, E. H. Goniche, M. Klepper, C. C. Hillairet, J. Isler, R. C. Bottereau, C. Colas, L. Ekedahl, A. Panayotis, S. Pegourie, B. Lotte, Ph Colledani, G. Caughman, J. B. Harris, J. H. Hillis, D. L. Shannon, S. C. Clairet, F. Litaudon, X. TI Electric field determination in the plasma-antenna boundary of a lower-hybrid wave launcher in Tore Supra through dynamic Stark-effect spectroscopy SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 13th International Fast Ignition Workshop CY SEP 14-18, 2014 CL Oxford, UNITED KINGDOM SP Science and Technology Facilities Council (STFC), AWE plc DE optical emission spectroscopy; electric field; lower hybrid current drive; Tore Supra ID COMPLEX SPECTRA AB Interaction of radio-frequency (RF) waves with the plasma in the near-field of a high-power wave launcher is now seen to be an important topic, both in understanding the channeling of these waves through the plasma boundary and in avoiding power losses in the edge. In a recent Letter, a direct non-intrusive measurement of a near antenna RF electric field in the range of lower hybrid (LH) frequencies (E-LH) was announced (2013 Phys. Rev. Lett. 110 215005). This measurement was achieved through the fitting of Balmer series deuterium spectral lines utilizing a time dependent (dynamic) Stark effect model. In this article, the analysis of the spectral data is discussed in detail and applied to a larger range of measurements and the accuracy and limitations of the experimental technique are investigated. It was found through an analysis of numerous Tore Supra discharges that good quantitative agreement exists between the measured and full-wave modeled E-LH when the launched power exceeds 0.5 MW. For low power the measurement becomes inaccurate utilizing the implemented passive spectroscopic technique because the spectral noise overwhelms the effect of the RF electric field on the line profile. Additionally, effects of the ponderomotive force are suspected at sufficiently high power. C1 [Martin, E. H.; Klepper, C. C.; Isler, R. C.; Caughman, J. B.; Harris, J. H.; Hillis, D. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Goniche, M.; Hillairet, J.; Bottereau, C.; Colas, L.; Ekedahl, A.; Panayotis, S.; Pegourie, B.; Lotte, Ph; Colledani, G.; Clairet, F.; Litaudon, X.] CEA, IRFM, F-13108 St Paul Les Durance, France. [Shannon, S. C.] N Carolina State Univ, Raleigh, NC 27695 USA. RP Martin, EH (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM martineh@ornl.gov RI Klepper, C.Christopher/I-9904-2016; Caughman, John/R-4889-2016; OI Klepper, C.Christopher/0000-0001-9107-8337; Caughman, John/0000-0002-0609-1164; Isler, Ralph/0000-0002-5368-7200 FU US DOE [DE-AC05-00OR22725]; European Community; UT-Battelle, LLC FX This work was supported in part by the US DOE under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. and in part by the European Communities under the contract of Association between EURATOM and CEA and within the framework of the European Fusion Development Agreement. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 31 TC 2 Z9 2 U1 4 U2 16 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 2015 VL 57 IS 6 AR 065011 DI 10.1088/0741-3335/57/6/065011 PG 16 WC Physics, Fluids & Plasmas SC Physics GA CH8CT UT WOS:000354264300018 ER PT J AU McKenna, P MacLellan, DA Butler, NMH Dance, RJ Gray, RJ Robinson, APL Neely, D Desjarlais, MP AF McKenna, P. MacLellan, D. A. Butler, N. M. H. Dance, R. J. Gray, R. J. Robinson, A. P. L. Neely, D. Desjarlais, M. P. TI Influence of low-temperature resistivity on fast electron transport in solids: scaling to fast ignition electron beam parameters SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 13th International Fast Ignition Workshop CY SEP 14-18, 2014 CL Oxford, UNITED KINGDOM SP Science and Technology Facilities Council (STFC), AWE plc DE fast electron transport; fast ignition; laser fusion ID PLASMA; DENSITY AB The role of low-temperature electrical resistivity in defining the transport properties of mega-Ampere currents of fast (MeV) electrons in solids is investigated using 3D hybrid particle-in-cell (PIC) simulations. By considering resistivity profiles intermediate to the ordered (lattice) and disordered forms of two example materials, lithium and silicon, it is shown that both the magnitude of the resistivity and the shape of the resistivity-temperature profile at low temperatures strongly affect the self-generated resistive magnetic fields and the onset of resistive instabilities, and thus the overall fast electron beam transport pattern. The scaling of these effects to the giga-Ampere electron currents required for the fast ignition scheme for inertial fusion is also explored. C1 [McKenna, P.; MacLellan, D. A.; Butler, N. M. H.; Dance, R. J.; Gray, R. J.] Univ Strathclyde, SUPA, Dept Phys, Glasgow G4 0NG, Lanark, Scotland. [Robinson, A. P. L.; Neely, D.] STFC Rutherford Appleton Lab, Cent Laser Facil, Didcot OX11 0QX, Oxon, England. [Desjarlais, M. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP McKenna, P (reprint author), Univ Strathclyde, SUPA, Dept Phys, Glasgow G4 0NG, Lanark, Scotland. EM paul.mckenna@strath.ac.uk RI McKenna, Paul/B-9764-2009 OI McKenna, Paul/0000-0001-8061-7091 FU EPSRC [EP/J003832/1, EP/K022415/1]; STFC [ST/K502340/1]; Air Force Office of Scientific Research, Air Force Material Command, USAF [FA8655-13-1-3008] FX We acknowledge computing resources provided by STFC's e-Science project. This work is financially supported by EPSRC (grant numbers EP/J003832/1 and EP/K022415/1) and STFC (grant number ST/K502340/1). The research leading to these results is sponsored by the Air Force Office of Scientific Research, Air Force Material Command, USAF, under grant number FA8655-13-1-3008. Data associated with research published in this paper can be accessed by contacting the corresponding author. NR 26 TC 1 Z9 1 U1 0 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD JUN PY 2015 VL 57 IS 6 AR 064001 DI 10.1088/0741-3335/57/6/064001 PG 8 WC Physics, Fluids & Plasmas SC Physics GA CH8CT UT WOS:000354264300003 ER PT J AU Zhang, W Liang, C Kao-Kniffin, J He, HB Xie, HT Zhang, H Zhang, XD AF Zhang, Wei Liang, Chao Kao-Kniffin, Jenny He, Hongbo Xie, Hongtu Zhang, Hong Zhang, Xudong TI Differentiating the mineralization dynamics of the originally present and newly synthesized amino acids in soil amended with available carbon and nitrogen substrates SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Article DE Newly synthesized amino acids; Soil amino acids; Soil N mineralization; Stable isotope analysis ID ORGANIC NITROGEN; MICROBIAL BIOMASS; TRACE AMOUNTS; SANDY SOILS; KINETICS; GLUCOSE; MATTER; FRACTIONS; FATE; IMMOBILIZATION AB Newly synthesized amino acids are the principle compounds created after inorganic nitrogen (N) is rapidly immobilized into microbial tissues. However, little is known about the mineralization kinetics of these newly synthesized amino acids compared to the amino acids originally present in the soil, and how substrate availability controls their mineralization. With N-15 isotope tracing, the newly synthesized (N-15-labeled) amino acids can be differentiated from the amino acids originally present (unlabeled) in soil, making it possible to evaluate the mineralization of the newly synthesized amino acids in tandem with the original amino acids. As amino acids can serve as both N and carbon (C) sources for microorganisms, the mineralization dynamics of amino acids may be manipulated by the availability of extraneous C and N. In this study, an aerobic 30-week intermittent leaching experiment was conducted, using glucose as C source and ((NH4)-N-14)(2)SO4 as N source, following separate additions to soil. The newly synthesized amino acids were determined by an isotope-based high performance liquid chromatography/mass spectrometry (HPLC/MS). The newly synthesized soil amino acids mineralized faster than the original ones, which indicated more rapid cycling of N in the newly synthesized soil amino acids pool. Glucose addition significantly decreased the mineralization of both the newly synthesized and the original amino acids. However, when inorganic N was abundant, the newly synthesized amino acids decomposed rapidly, and preferentially as a C source and energy, while N addition inhibited the mineralization of the original amino acids in the soil. We conclude that the presence of readily degradable C (e.g. glucose) and inorganic N controls the mineralization of newly synthesized and original amino acid pools in soil differently, which is a crucial mechanism in adjusting the N supply and sequestration processes in soil ecosystems. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Zhang, Wei; Liang, Chao; He, Hongbo; Xie, Hongtu; Zhang, Hong; Zhang, Xudong] Chinese Acad Sci, Inst Appl Ecol, State Key Lab Forest & Soil Ecol, Shenyang 110164, Peoples R China. [Liang, Chao] Univ Wisconsin, US DOE, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Kao-Kniffin, Jenny] Cornell Univ, Dept Hort, Ithaca, NY 14853 USA. [Zhang, Xudong] Chinese Acad Sci, Natl Field Observat, Shenyang 110016, Peoples R China. [Zhang, Xudong] Chinese Acad Sci, Res Stn Shenyang Agroecosyst, Shenyang 110016, Peoples R China. RP He, HB (reprint author), Chinese Acad Sci, Inst Appl Ecol, State Key Lab Forest & Soil Ecol, Shenyang 110164, Peoples R China. EM hehongbo@iae.ac.cn; xdzhang@iae.ac.cn OI Xie, Hongtu/0000-0002-8640-828X FU National Natural Science Foundation of China [41130524]; National Basic Research Program of China (973 Program) [2014CB954400]; Chinese Academy of Sciences [XDA05050501] FX This work was jointly funded by the National Natural Science Foundation of China (No. 41130524), the National Basic Research Program of China (973 Program, No. 2014CB954400), the "Strategic Priority Research Program-Climate Change: Carbon Budget and Relevant Issues" of the Chinese Academy of Sciences (No. XDA05050501). We thank Professor Philip Brookes of Rothamsted Research for his great help in the revision of our manuscript We also thank the anonymous reviewers for their insightful reviews of the manuscript. NR 67 TC 1 Z9 1 U1 5 U2 64 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-0717 J9 SOIL BIOL BIOCHEM JI Soil Biol. Biochem. PD JUN PY 2015 VL 85 BP 162 EP 169 DI 10.1016/j.soilbio.2015.03.004 PG 8 WC Soil Science SC Agriculture GA CH9GV UT WOS:000354344900020 ER PT J AU Shen, TM Li, P Jiang, JY Cooley, L Tompkins, J McRae, D Walsh, R AF Shen, Tengming Li, Pei Jiang, Jianyi Cooley, Lance Tompkins, John McRae, Dustin Walsh, Robert TI High strength kiloampere Bi2Sr2CaCu2Ox cables for high-field magnet applications SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article; Proceedings Paper CT MultiSuper Conference CY 2014 CL Camerino, ITALY DE superconducting magnets; Bi-2212; high-current cable ID RUTHERFORD CABLE; ROUND-WIRE; BI-2212; SUPERCONDUCTOR AB Multifilamentary Ag-sheathed Bi(2)Sr(2)CaCu(2)Ox (Bi-2212) wire can carry sufficient critical current density J(c) for the development of powerful superconducting magnets. However, the range of its applications is limited by the low mechanical strength of the Ag/Bi-2212 strand. A potential solution is to cable Ag/Bi-2212 wire with high-strength materials that are compatible with the Bi-2212 heat treatment in an oxygen atmosphere. Past attempts have not always been successful, because the high-strength materials reacted with Bi-2212 wires, significantly reducing their J(c). We examined the nature of reactions occurring when Ag/Bi-2212 wires are heat-treated in direct contact with several commonly used high-strength alloys and a new Fe-Cr-Al alloy. INCONEL X750 and INCONEL 600 resulted in significant J(c) loss, whereas Ni80-Cr caused little or no J(c) loss; however, all of them formed chromium oxide that subsequently reacted with silver, creating cracks in the silver sheath. We found that Fe-Cr-Al did not show significant reactions with Ag/ Bi-2212 strands. Scanning electron microscopy (SEM) and energy dispersive x-ray (EDS) examinations revealed that the Fe-Cr-Al alloy benefits from the formation of a uniform, crack-free, continuous alumina layer on its surface that does not react with Ag and that helps minimize the Cu loss found with INCONEL X750 and INCONEL 600. We fabricated prototype 6-around-1 cables with six Bi-2212 strands twisted and transposed around an Fe-Cr-Al alloy core coated with TiO2. After standard 1 bar melt processing, the cable retained 100% of the total current-carrying capability of its strands, and, after a 10 bar overpressure processing, the cable reached a total current of 1025 A at 4.2 K and 10 T. Tensile tests showed that Fe-Cr-Al becomes brittle after being cooled to 4.2 K, whereas INCONEL X750 remains ductile and retains a modulus of 183 GPa. We proposed new cable designs that take advantage of the chemical compatibility of Fe-Cr-Al and high strength of INCONEL X750 for various high-field magnet applications. C1 [Shen, Tengming; Li, Pei; Cooley, Lance; Tompkins, John] Fermilab Natl Accelerator Lab, Magnet Syst Dept, Batavia, IL 60510 USA. [Jiang, Jianyi] Florida State Univ, Ctr Appl Superconduct, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [McRae, Dustin; Walsh, Robert] Florida State Univ, Magnet Sci & Technol Div, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. RP Shen, TM (reprint author), Fermilab Natl Accelerator Lab, Magnet Syst Dept, POB 500, Batavia, IL 60510 USA. EM t.shen@fnal.gov RI Jiang, Jianyi/F-2549-2017; OI Jiang, Jianyi/0000-0002-1094-2013; Cooley, Lance/0000-0003-3488-2980 FU Office of High Energy Physics at the US Department of Energy (DOE) [DE-AC02-07CH11359]; US DOE, Office of High Energy Physics [DE-SC0010421]; US National Science Foundation Division of Materials [NSF/DMR-1157490]; State of Florida; US DOE FX We thank M White from nGimat LLC for providing TiO2-polymer coating, M Matras and W L Starch of NHMFL for assistance with overpressure heat treatment, and E Barzi, D Hicks, and A Rusy from Fermilab and A Matta from Virginia Tech for assistance with cabling and mechanical tests. We are grateful to A Tollestrup from Fermilab for suggesting this work and members of the Very High Field Superconducting Magnet Collaboration (VHFSMC) and the Bi-2212 Strand and Cable Collaboration (BSCCo) for useful discussions. Work at Fermilab was supported by the Office of High Energy Physics at the US Department of Energy (DOE) under contract no. DE-AC02-07CH11359. Work at NHMFL was supported by the US DOE, Office of High Energy Physics under grant no. DE-SC0010421, by the US National Science Foundation Division of Materials under NSF/DMR-1157490, and the State of Florida. TS was also supported by a FY12 Early Career Award from the US DOE. NR 25 TC 9 Z9 9 U1 3 U2 14 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 2015 VL 28 IS 6 AR 065002 DI 10.1088/0953-2048/28/6/065002 PG 10 WC Physics, Applied; Physics, Condensed Matter SC Physics GA CH5XV UT WOS:000354110200006 ER PT J AU Soltanian, MR Ritzi, R Huang, CC Dai, ZX Deng, HL AF Soltanian, Mohamad Reza Ritzi, Robert Huang, Chao Cheng Dai, Zhenxue Deng, Hailin TI A Note on Upscaling Retardation Factor in Hierarchical Porous Media with Multimodal Reactive Mineral Facies SO TRANSPORT IN POROUS MEDIA LA English DT Article DE Upscaling; Retardation factor; Reactive mineral facies; Hierarchical porous media ID ADSORBING SOLUTE TRANSPORT; MACRODISPERSION; AQUIFERS AB We present a model for upscaling the time-dependent effective retardation factor, , in hierarchical porous media with multimodal reactive mineral facies. The model extends the approach by Deng et al. (Chemosphere 91(3):248-257, 2013) in which they expanded a Lagrangian-based stochastic theory presented by Rajaram (Adv Water Resour 20(4):217-230, 1997) in order to describe the scaling effect of . They used a first-order linear approximation in deriving their model to make the derivation tractable. Importantly, the linear approximation is known to be valid only to variances of 0.2. In this note, we show that the model can be derived with a higher-order approximation, which allows for representing variances from 0.2 to 1.0. We present the derivation and use the resulting model to recalculate for the scenario examined by Deng et al. (2013). C1 [Soltanian, Mohamad Reza; Ritzi, Robert] Wright State Univ, Dept Earth & Environm Sci, Dayton, OH 45435 USA. [Huang, Chao Cheng] Wright State Univ, Dept Math & Stat, Dayton, OH 45435 USA. [Dai, Zhenxue] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. [Deng, Hailin] CSIRO Land & Water, Wembley, WA 6913, Australia. RP Soltanian, MR (reprint author), Wright State Univ, Dept Earth & Environm Sci, Dayton, OH 45435 USA. EM m.rezasoltanian@gmail.com RI Soltanian Pereshkafti, Mohamad Reza/C-1316-2014; OI Dai, Zhenxue/0000-0002-0805-7621 FU National Science Foundation [EAR-0810151]; College of Science and Mathematics at Wright State University FX Mohamad Reza Soltanian was supported by the National Science Foundation under Grant EAR-0810151, and also by a Graduate Fellowship from the College of Science and Mathematics at Wright State University. Any opinions, findings, and conclusions or recommendations expressed in this article are those of the authors and do not necessarily reflect those of the National Science Foundation or other supporting institutions. The manuscript was improved based on reviews by Timothy Ginn and six other anonymous reviewers. NR 19 TC 1 Z9 1 U1 2 U2 9 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 2015 VL 108 IS 2 BP 355 EP 366 DI 10.1007/s11242-015-0480-2 PG 12 WC Engineering, Chemical SC Engineering GA CH7HT UT WOS:000354207300006 ER PT J AU Colby, R Alsem, DH Liyu, A Kabius, B AF Colby, R. Alsem, D. H. Liyu, A. Kabius, B. TI A method for measuring the local gas pressure within a gas-flow stage in situ in the transmission electron microscope SO ULTRAMICROSCOPY LA English DT Article DE Electron microscopy; ETEM; Gas-flow stage ID ENERGY-LOSS SPECTROSCOPY; HIGH-RESOLUTION; TEM AB Environmental transmission electron microscopy (TEM) has enabled in situ experiments in a gaseous environment with high resolution imaging and spectroscopy. Addressing scientific challenges in areas such as catalysis, corrosion, and geochemistry can require pressures much higher than the similar to 20 mbar achievable with a differentially pumped environmental TEM. Gas flow stages, in which the environment is contained between two semi-transparent thin membrane windows, have been demonstrated at pressures of several atmospheres. However, the relationship between the pressure at the sample and the pressure drop across the system is not clear for some geometries. We demonstrate a method for measuring the gas pressure at the sample by measuring the ratio of elastic to inelastic scattering and the defocus of the pair of thin windows. This method requires two energy filtered high-resolution TEM images that can be performed during an ongoing experiment, at the region of interest. The approach is demonstrated to measure greater than atmosphere pressures of N-2 gas using a commercially available gas-flow stage. This technique provides a means to ensure reproducible sample pressures between different experiments, and even between very differently designed gas-flow stages. (C) 2015 Elsevier B.V. All rights reserved. C1 [Colby, R.; Liyu, A.; Kabius, B.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Alsem, D. H.] Hummingbird Sci, Lacey, WA USA. RP Colby, R (reprint author), ExxonMobil Res & Engn Co, Annandale, NJ 08801 USA. FU Department of Energy's Office of Biological and Environmental Research; EMSL William Wiley Post-doctoral Fellowship FX This work was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national science user facility sponsored by the Department of Energy's Office of Biological and Environmental Research, and located at Pacific Northwest National Laboratory. The authors would also like to acknowledge the support of the EMSL William Wiley Post-doctoral Fellowship, and assistance of the Materials Characterization Lab at Penn State University for followup tests. Thanks are extended to L. Kovarik for a number of helpful discussions, and to Roar Kilaas for updates to MacTempas that simplified defocus measurement. NR 22 TC 0 Z9 0 U1 1 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 EI 1879-2723 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD JUN PY 2015 VL 153 BP 55 EP 60 DI 10.1016/j.ultramic.2015.01.002 PG 6 WC Microscopy SC Microscopy GA CH4UV UT WOS:000354029400007 PM 25765435 ER PT J AU Merk, B Stanculescu, A Chellapandi, P Hill, R AF Merk, Bruno Stanculescu, Alexander Chellapandi, Perumal Hill, Robert TI Progress in reliability of fast reactor operation and new trends to increased inherent safety SO APPLIED ENERGY LA English DT Article DE Nuclear; Nuclear reactors; Fast reactors; Reliability; Enhanced feedback; Inherent safety ID COOLED-FAST-REACTOR; EBR-II; PERFORMANCE; REACTIVITY; DESIGN; CORE; COEFFICIENTS AB The reasons for the renewed interest in fast reactors and an overview of the progress in sodium cooled fast reactor operation in the last ten years are given. The excellent operational performance of sodium cooled fast reactors in this period is highlighted as a sound basis for the development of new fast reactors. The operational performance of the BN-600 is compared and evaluated against the performance of German light water reactors to assess the reliability. The relevance of feedback effects for safe reactor design is described, and a new method for the enhancement of feedback effects in fast reactors is proposed. Experimental reactors demonstrating the inherent safety of advanced sodium cooled fast reactor designs are described and the potential safety improvements resulting from the use of fine distributed moderating material are discussed. One sentence summary: Operating fast reactors have shown excellent in-service behavior within the last 10 years, new designs and methods are available to significantly improve safety. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Merk, Bruno] HZDR, Inst Resource Ecol, Dresden, Germany. [Stanculescu, Alexander] Idaho Natl Lab, Nucl Syst Design & Anal Div, Idaho Falls, ID USA. [Chellapandi, Perumal] Indira Gandhi Ctr Atom Res, Nucl Sci & Engn Grp, Kalpakkam, Tamil Nadu, India. [Hill, Robert] Argonne Natl Lab, Adv Nucl Energy R&D Nucl Engn Div, Argonne, IL 60439 USA. RP Merk, B (reprint author), HZDR, Inst Resource Ecol, Dresden, Germany. EM b.merk@hzdr.de NR 77 TC 2 Z9 2 U1 1 U2 9 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 2015 VL 147 BP 104 EP 116 DI 10.1016/j.apenergy.2015.02.023 PG 13 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CH1BB UT WOS:000353755000012 ER PT J AU Mills, AD Wiser, RH AF Mills, Andrew D. Wiser, Ryan H. TI Strategies to mitigate declines in the economic value of wind and solar at high penetration in California SO APPLIED ENERGY LA English DT Article DE Economic valuation; Real-time pricing; Storage; Renewable integration ID RENEWABLE ENERGY; DEMAND RESPONSE; ELECTRIC-POWER; TIME; STORAGE; TECHNOLOGIES; INTERMITTENT; MARKET; SYSTEMS; PRICES AB Previously, we quantified a decline in the marginal economic value of wind and PV with increasing penetration levels based on a long-run equilibrium investment and dispatch model that accounted for operational constraints for conventional generation. We use the same model and data, based loosely on California in 2030, to evaluate several options to stem the decline in value of these technologies. The largest increase in the value of wind at high penetration levels comes from increased geographic diversity. The largest increase in the value of PV at high penetration levels comes from assuming that low-cost bulk power storage is an investment option. Other attractive options, particularly at more modest penetration levels, include real-time pricing and technology diversity. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Mills, Andrew D.; Wiser, Ryan H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Mills, AD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd MS90-R4000, Berkeley, CA 94720 USA. EM admills@lbl.gov RI Mills, Andrew/B-3469-2016 OI Mills, Andrew/0000-0002-9065-0458 FU Office of Electricity Delivery and Energy Reliability (National Electricity Delivery Division); Office of Energy Efficiency and Renewable Energy (Wind and Hydropower Technologies Office and Solar Energy Technologies Office) of the U.S. Department of Energy [DE-AC02-05CH11231] FX The work described in this paper was funded by the Office of Electricity Delivery and Energy Reliability (National Electricity Delivery Division) and by the Office of Energy Efficiency and Renewable Energy (Wind and Hydropower Technologies Office and Solar Energy Technologies Office) of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. For their support of this work, we thank Lawrence Mansueti, Patrick Gilman, Venkat Banunarayanan, and Kevin Lynn of the U.S. Department of Energy. NR 44 TC 6 Z9 6 U1 0 U2 29 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 2015 VL 147 BP 269 EP 278 DI 10.1016/j.apenergy.2015.03.014 PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CH1BB UT WOS:000353755000024 ER PT J AU Middleton, RS Carey, JW Currier, RP Hyman, JD Kang, QJ Karra, S Jimenez-Martinez, J Porter, ML Viswanathan, HS AF Middleton, Richard S. Carey, J. William Currier, Robert P. Hyman, Jeffrey D. Kang, Qinjun Karra, Satish Jimenez-Martinez, Joaquin Porter, Mark L. Viswanathan, Hari S. TI Shale gas and non-aqueous fracturing fluids: Opportunities and challenges for supercritical CO2 SO APPLIED ENERGY LA English DT Article DE Shale gas; Hydraulic fracturing; Supercritical CO2; Non-aqueous fracturing fluids; Waterless fracturing fluids ID PORE-SCALE; UNCONVENTIONAL GAS; CARBON-DIOXIDE; NATURAL-GAS; IMMISCIBLE DROPLET; GEOLOGICAL SYSTEM; RESERVOIRS RISKS; POROUS-MEDIA; STORAGE; DISPLACEMENT AB Hydraulic fracturing of shale formations in the United States has led to a domestic energy boom. Currently, water is the only fracturing fluid regularly used in commercial shale oil and gas production. Industry and researchers are interested in non-aqueous working fluids due to their potential to increase production, reduce water requirements, and to minimize environmental impacts. Using a combination of new experimental and modeling data at multiple scales, we analyze the benefits and drawbacks of using CO2 as a working fluid for shale gas production. We theorize and outline potential advantages of CO2 including enhanced fracturing and fracture propagation, reduction of flow-blocking mechanisms, increased desorption of methane adsorbed in organic-rich parts of the shale, and a reduction or elimination of the deep re-injection of flow-back water that has been linked to induced seismicity and other environmental concerns. We also examine likely disadvantages including costs and safety issues associated with handling large volumes of supercritical CO2. The advantages could have a significant impact over time leading to substantially increased gas production. In addition, if CO2 proves to be an effective fracturing fluid, then shale gas formations could become a major utilization option for carbon sequestration. Published by Elsevier Ltd. C1 [Middleton, Richard S.; Carey, J. William; Currier, Robert P.; Hyman, Jeffrey D.; Kang, Qinjun; Karra, Satish; Jimenez-Martinez, Joaquin; Porter, Mark L.; Viswanathan, Hari S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Middleton, RS (reprint author), Los Alamos Natl Lab, Earth & Environm Sci, Los Alamos, NM 87545 USA. EM rsm@lanl.gov RI Porter, Mark/B-4417-2011; Jimenez-Martinez, Joaquin/B-9680-2013; Kang, Qinjun/A-2585-2010; OI Jimenez-Martinez, Joaquin/0000-0002-2063-6490; Kang, Qinjun/0000-0002-4754-2240; Middleton, Richard/0000-0002-8039-6601; Hyman, Jeffrey /0000-0002-4224-2847; Karra, Satish/0000-0001-7847-6293 FU Los Alamos National Laboratory LDRD [20140002DR, 20150397DR]; DOE's Unconventional Fossil Energy Program FX This work was supported through Los Alamos National Laboratory LDRD projects 20140002DR and 20150397DR and DOE's Unconventional Fossil Energy Program managed by NETL's Strategic Center for Natural Gas and Oil. NR 93 TC 47 Z9 48 U1 26 U2 152 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 2015 VL 147 BP 500 EP 509 DI 10.1016/j.apenergy.2015.03.023 PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CH1BB UT WOS:000353755000046 ER PT J AU Rios-Mercado, RZ Borraz-Sanchez, C AF Rios-Mercado, Roger Z. Borraz-Sanchez, Conrado TI Optimization problems in natural gas transportation systems: A state-of-the-art review SO APPLIED ENERGY LA English DT Review DE Natural gas transportation; Operations research; Pipeline optimization; Line-packing problem; Pooling problem; Fuel cost minimization problem ID MODEL-PREDICTIVE CONTROL; PIPELINE NETWORK; POOLING PROBLEM; GLOBAL OPTIMIZATION; TRANSMISSION NETWORKS; TRANSIENT ANALYSIS; PROGRAMMING-MODEL; SIMPLEX ALGORITHM; OPTIMAL OPERATION; CYCLIC STRUCTURES AB This paper provides a review on the most relevant research works conducted to solve natural gas transportation problems via pipeline systems. The literature reveals three major groups of gas pipeline systems, namely gathering, transmission, and distribution systems. In this work, we aim at presenting a detailed discussion of the efforts made in optimizing natural gas transmission lines. There is certainly a vast amount of research done over the past few years on many decision-making problems in the natural gas industry and, specifically, in pipeline network optimization. In this work, we present a state-of-the-art survey focusing on specific categories that include short-term basis storage (line-packing problems), gas quality satisfaction (pooling problems), and compressor station modeling (fuel cost minimization problems). We discuss both steady-state and transient optimization models highlighting the modeling aspects and the most relevant solution approaches known to date. Although the literature on natural gas transmission system problems is quite extensive, this is, to the best of our knowledge, the first comprehensive review or survey covering this specific research area on natural gas transmission from an operations research perspective. The paper includes a discussion of the most important and promising research areas in this field. Hence, this paper can serve as a useful tool to gain insight into the evolution of the many real-life applications and most recent advances in solution methodologies arising from this exciting and challenging research area of decision-making problems. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Rios-Mercado, Roger Z.] UANL, Grad Program Syst Engn, San Nicolas De Los Garza 66450, NL, Mexico. [Borraz-Sanchez, Conrado] Los Alamos Natl Lab, Energy & Infrastruct Anal Grp, Los Alamos, NM 87545 USA. RP Rios-Mercado, RZ (reprint author), UANL, Grad Program Syst Engn, AP 111-F,Cd Univ, San Nicolas De Los Garza 66450, NL, Mexico. EM roger.rios@uanl.edu.mx; conradob@lanl.gov OI Rios-Mercado, Roger/0000-0003-1053-5183 FU Mexican Council for Science and Technology [CONACyT CB-2011-01-166397] FX We thank the three anonymous referees for their remarks that helped improve the quality of this paper. The research of the first author was supported by the Mexican Council for Science and Technology, Grant CONACyT CB-2011-01-166397. NR 149 TC 22 Z9 23 U1 25 U2 57 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 2015 VL 147 BP 536 EP 555 DI 10.1016/j.apenergy.2015.03.017 PG 20 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CH1BB UT WOS:000353755000049 ER PT J AU Fuss, JO Tsai, CL Ishida, JP Tainer, JA AF Fuss, Jill O. Tsai, Chi-Lin Ishida, Justin P. Tainer, John A. TI Emerging critical roles of Fe-S clusters in DNA replication and repair SO BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR CELL RESEARCH LA English DT Review DE Fe-S cluster; DNA repair; DNA replication; DNA charge transfer communication; Genome integrity; Cancer and degenerative disease ID IRON-SULFUR CLUSTER; BASE EXCISION-REPAIR; X-RAY-SCATTERING; CU,ZN SUPEROXIDE-DISMUTASE; ENZYME ENDONUCLEASE-III; RANGE ELECTRON-TRANSFER; ESCHERICHIA-COLI MUTY; STRAND-BREAK REPAIR; C-TERMINAL DOMAIN; FANCONI-ANEMIA AB Fe-S clusters are partners in the origin of life that predate cells, acetyl-CoA metabolism, DNA, and the RNA world. The double helix solved the mystery of DNA replication by base pairing for accurate copying. Yet, for genome stability necessary to life, the double helix has equally important implications for damage repair. Here we examine striking advances that uncover Fe-S cluster roles both in copying the genetic sequence by DNA polymerases and in crucial repair processes for genome maintenance, as mutational defects cause cancer and degenerative disease. Moreover, we examine an exciting, controversial role for Fe-S clusters in a third element required for life - the long-range coordination and regulation of replication and repair events. By their ability to delocalize electrons over both Fe and S centers, Fe-S clusters have unbeatable features for protein conformational control and charge transfer via double-stranded DNA that may fundamentally transform our understanding of life, replication, and repair. This article is part of a Special Issue entitled: Fe/S proteins: Analysis, structure, function, biogenesis and diseases. (C) 2015 Elsevier B.V. All rights reserved. C1 [Fuss, Jill O.; Tsai, Chi-Lin; Ishida, Justin P.; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Tainer, John A.] Univ Texas MD Anderson Canc Ctr, Dept Mol & Cellular Oncol, Houston, TX 77030 USA. RP Fuss, JO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM jfuss@lbl.gov; jatainer@lbl.gov OI Tsai, Chi-Lin/0000-0002-0365-2405 FU National Institutes of Health [R01 CA112093] FX We thank our pioneering colleagues in the area of Fe-S cluster functions in DNA replication and repair for many discussions and insights, especially Jacqueline Barton, Peter Burgers, Judith Campbell, Walter Chazin, and Stephen Kowalczykowski along with Dale Wigley, Sheila David, and Richard Cunningham. We also thank Fe-S experts Brian Crane, Douglas Rees, Lou Noodleman, David Case, David Barondeau, Harry Gray, Elizabeth Getzoff, David Stout, and Michael Adams for sharing their thoughts over the years. Stuart Linn and Irwin Fridovich contributed to our thoughts on iron-mediated Fenton reactions in the presence of DNA. Steven Yannone provided critical edits of this manuscript and contributed to many rich discussions about Fe-S proteins over the years. Analyses of Fe-S clusters relevant to XPD in the authors' laboratory are funded by the National Institutes of Health (R01 CA112093). NR 249 TC 21 Z9 22 U1 4 U2 39 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-4889 EI 0006-3002 J9 BBA-MOL CELL RES JI Biochim. Biophys. Acta-Mol. Cell Res. PD JUN PY 2015 VL 1853 IS 6 SI SI BP 1253 EP 1271 DI 10.1016/j.bbamcr.2015.01.018 PG 19 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA CH0RG UT WOS:000353729500002 PM 25655665 ER PT J AU Peters, JW Schut, GJ Boyd, ES Mulder, DW Shepard, EM Broderick, JB King, PW Adams, MWW AF Peters, John W. Schut, Gerrit J. Boyd, Eric S. Mulder, David W. Shepard, Eric M. Broderick, Joan B. King, Paul W. Adams, Michael W. W. TI [FeFe]- and [NiFe]-hydrogenase diversity, mechanism, and maturation SO BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR CELL RESEARCH LA English DT Review DE Hydrogen oxidation; Proton reduction; Bifurcation; Iron-sulfur; Carbon monoxide; Cyanide ID FE-ONLY HYDROGENASE; IRON-SULFUR CLUSTERS; X-RAY-STRUCTURE; DESULFOVIBRIO-VULGARIS HYDROGENASE; FERREDOXIN NAD(+) OXIDOREDUCTASE; DENSITY-FUNCTIONAL CALCULATIONS; ARCHAEON PYROCOCCUS-FURIOSUS; MEMBRANE-BOUND HYDROGENASE; BACTERIUM AQUIFEX-AEOLICUS; SP PCC 6803 AB The [FeFe]- and [NiFe]-hydrogenases catalyze the formal interconversion between hydrogen and protons and electrons, possess characteristic non-protein ligands at their catalytic sites and thus share common mechanistic features. Despite the similarities between these two types of hydrogenases, they clearly have distinct evolutionary origins and likely emerged from different selective pressures. [FeFe]-hydrogenases are widely distributed in fermentative anaerobic microorganisms and likely evolved under selective pressure to couple hydrogen production to the recycling of electron carriers that accumulate during anaerobic metabolism. In contrast, many [NiFe]-hydrogenases catalyze hydrogen oxidation as part of energy metabolism and were likely key enzymes in early life and arguably represent the predecessors of modern respiratory metabolism. Although the reversible combination of protons and electrons to generate hydrogen gas is the simplest of chemical reactions, the [FeFe]- and [NiFe]-hydrogenases have distinct mechanisms and differ in the fundamental chemistry associated with proton transfer and control of electron flow that also help to define catalytic bias. A unifying feature of these enzymes is that hydrogen activation itself has been restricted to one solution involving diatomic ligands (carbon monoxide and cyanide) bound to an Fe ion. On the other hand, and quite remarkably, the biosynthetic mechanisms to produce these ligands are exclusive to each type of enzyme. Furthermore, these mechanisms represent two independent solutions to the formation of complex bioinorganic active sites for catalyzing the simplest of chemical reactions, reversible hydrogen oxidation. As such, the [FeFe]- and [NiFe]-hydrogenases are arguably the most profound case of convergent evolution. This article is part of a Special Issue entitled: Fe/S proteins: Analysis, structure, function, biogenesis and diseases. (C) 2014 Elsevier B.V. All rights reserved. C1 [Peters, John W.; Shepard, Eric M.; Broderick, Joan B.] Montana State Univ, Dept Chem & Biochem, Bozeman, MT 59717 USA. [Schut, Gerrit J.; Adams, Michael W. W.] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. [Boyd, Eric S.] Montana State Univ, Dept Microbiol & Immunol, Bozeman, MT 59717 USA. [Mulder, David W.; King, Paul W.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. RP Peters, JW (reprint author), Montana State Univ, Dept Chem & Biochem, Bozeman, MT 59717 USA. EM john.peters@chemistry.montana.edu RI King, Paul/D-9979-2011; OI King, Paul/0000-0001-5039-654X; Broderick, Joan/0000-0001-7057-9124; Peters, John/0000-0001-9117-9568 FU Air Force Office of Scientific Research grant [FA-9550-11-1-0218]; NASA Exobiology and Evolutionary Biology [NNX13AI11G]; U.S. Department of Energy, Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences [DE-AC36-08-GO28308, DE-FG05-95ER20175, DE-FG02-10ER16194]; Biological and Electron Transfer and Catalysis EFRC, an Energy Frontiers Research Center - U.S. Depaetment of Energy, Office of Science [DE-SC0012518] FX The authors would like to acknowledge the following funding sources: Air Force Office of Scientific Research grant FA-9550-11-1-0218 to J.W.P., NASA Exobiology and Evolutionary Biology (NNX13AI11G) to E.S.B., and the U.S. Department of Energy, Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (DE-AC36-08-GO28308 to P.W.K., DE-FG05-95ER20175 to M.W.W.A., DE-FG02-10ER16194 to J.B.B., J.W.P., and E.M.S. This work is supported as a part of the Biological and Electron Transfer and Catalysis EFRC, an Energy Frontiers Research Center funded by the U.S. Depaetment of Energy, Office of Science (DE-SC0012518). NR 267 TC 35 Z9 35 U1 15 U2 150 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-4889 EI 0006-3002 J9 BBA-MOL CELL RES JI Biochim. Biophys. Acta-Mol. Cell Res. PD JUN PY 2015 VL 1853 IS 6 SI SI BP 1350 EP 1369 DI 10.1016/j.bbamcr.2014.11.021 PG 20 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA CH0RG UT WOS:000353729500008 PM 25461840 ER PT J AU Desroches, LB Greenblatt, JB Pratt, S Willem, H Claybaugh, E Beraki, B Nagaraju, M Price, SK Young, SJ Donovan, SM Ganeshalingam, M AF Desroches, Louis-Benoit Greenblatt, Jeffery B. Pratt, Stacy Willem, Henry Claybaugh, Erin Beraki, Bereket Nagaraju, Mythri Price, Sarah K. Young, Scott J. Donovan, Sally M. Ganeshalingam, Mohan TI Video game console usage and US national energy consumption: Results from a field-metering study SO ENERGY EFFICIENCY LA English DT Article DE Video game consoles; Energy use; Electricity consumption; Energy efficiency AB There has been an increased in attention placed on the energy consumption of miscellaneous electronic loads in buildings by energy analysts and policymakers in recent years. The share of electricity consumed by consumer electronics in US households has increased in the last decade. Many devices, however, lack robust energy use data, making energy consumption estimates difficult and uncertain. Video game consoles are high-performance machines present in approximately half of all households and can consume a considerable amount of power. The precise usage of game consoles has significant uncertainty, however, leading to a wide range of recent national energy consumption estimates. We present here an analysis based on field-metered usage data, collected as part of a larger field metering study in the USA. This larger study collected data from 880 households in 2012 on a variety of devices, including 113 game consoles (the majority of which are Generation 7 consoles). From our metering, we find that although some consoles are left on nearly 24 h/day, the overall average usage is lower than many other studies have assumed, leading to a US national energy consumption estimate of 7.1 TWh in 2012. Nevertheless, there is an opportunity to reduce energy use with proper game console power management, as a substantial amount of game console usage occurs with the television turned off. The emergence of Generation 8 consoles may increase national energy consumption. C1 [Desroches, Louis-Benoit; Greenblatt, Jeffery B.; Pratt, Stacy; Willem, Henry; Claybaugh, Erin; Beraki, Bereket; Nagaraju, Mythri; Price, Sarah K.; Young, Scott J.; Ganeshalingam, Mohan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Donovan, Sally M.] Environm Consultant, Ocean Grove, Vic 3226, Australia. RP Desroches, LB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ldesroches@lbl.gov FU U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy, Building Technologies Program [DE-AC02-05CH11231] FX The work described in this report was funded by the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy, Building Technologies Program under Contract No. DE-AC02-05CH11231. NR 24 TC 1 Z9 1 U1 2 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1570-646X EI 1570-6478 J9 ENERG EFFIC JI Energy Effic. PD JUN PY 2015 VL 8 IS 3 BP 509 EP 526 DI 10.1007/s12053-014-9308-0 PG 18 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Environmental Studies SC Science & Technology - Other Topics; Energy & Fuels; Environmental Sciences & Ecology GA CH2AD UT WOS:000353824300006 ER PT J AU Myung, ST Amine, K Sun, YK AF Myung, Seung-Taek Amine, Khalil Sun, Yang-Kook TI Nanostructured cathode materials for rechargeable lithium batteries SO JOURNAL OF POWER SOURCES LA English DT Review DE Nanosize; Nanoscale; Nanostructure; Cathode; Lithium; Batteries ID ION SECONDARY BATTERIES; ENHANCED ELECTROCHEMICAL PERFORMANCE; POSITIVE-ELECTRODE MATERIALS; EMULSION DRYING METHOD; SPINEL LIMN2O4 NANOWIRES; NICKEL-MANGANESE-OXIDES; HIGH-ENERGY DENSITY; HIGH-POWER; HYDROTHERMAL SYNTHESIS; INSERTION MATERIAL AB The prospect of drastic climate change and the ceaseless fluctuation of fossil fuel prices provide motivation to reduce the use of fossil fuels and to find new energy conversion and storage systems that are able to limit carbon dioxide generation. Among known systems, lithium-ion batteries are recognized as the most appropriate energy storage system because of their high energy density and thus space saving in applications. Introduction of nanotechnology to electrode material is beneficial to improve the resulting electrode performances such as capacity, its retention, and rate capability. The nanostructure is highly available not only when used alone but also is more highlighted when harmonized in forms of core shell structure and composites with carbon nanotubes, graphene or reduced graphene oxides. This review covers syntheses and electrochemical properties of nanoscale, nanosized, and nanostructured cathode materials for rechargeable lithium batteries. (C) 2015 Elsevier B.V. All rights reserved. C1 [Myung, Seung-Taek] Sejong Univ, Dept Nano Engn, Seoul 143747, South Korea. [Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Sun, Yang-Kook] Hanyang Univ, Dept Energy Engn, Seoul 133791, South Korea. RP Myung, ST (reprint author), Sejong Univ, Dept Nano Engn, Seoul 143747, South Korea. EM smyung@sejong.ac.kr; amine@anl.gov; yksun@hanyang.ac.kr OI Myung, Seung-Taek/0000-0001-6888-5376 FU National Research Foundation of Korea (NRF) - Korea government (MEST) [2009-0092780]; Korea Institute of Energy Technology Evaluation and Planning (KETEP) - Korea government Ministry of Trade, Industry and Energy [20124010203310]; National Research Foundation of Korea (NRF) - Ministry of Education, Science and Technology of Korea [NRF-2014R1A2A1A11051197] FX This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST) (No. 2009-0092780). This work was also supported by the Human Resources Development program (No. 20124010203310) of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) grant funded by the Korea government Ministry of Trade, Industry and Energy. This work was also supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology of Korea (No. NRF-2014R1A2A1A11051197). NR 179 TC 26 Z9 26 U1 61 U2 391 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 2015 VL 283 BP 219 EP 236 DI 10.1016/j.jpowsour.2015.02.119 PG 18 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA CH0SC UT WOS:000353731700024 ER PT J AU Mohanty, D Sefat, AS Payzant, EA Li, JL Wood, DL Daniel, C AF Mohanty, Debasish Sefat, Athena S. Payzant, E. Andrew Li, Jianlin Wood, David L., III Daniel, Claus TI Unconventional irreversible structural changes in a high-voltage Li-Mn-rich oxide for lithium-ion battery cathodes SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium rich; Structural transformation; Spinel; High-energy-density lithium-ion batteries; Magnetic frustration ID ELECTRICAL ENERGY-STORAGE; FADE MECHANISM; SPINEL PHASE; ELECTRODES; LIMN2O4; TRANSFORMATION; CATION AB Making all-electric vehicles (EVs) commonplace in transportation applications will require affordable high-power and high-energy-density lithium-ion batteries (LIBs). The quest for suitable cathode materials to meet this end has currently plateaued with the discovery of high-voltage (>= 4.7 V vs. Li+), high capacity (similar to 250 mAh/g) lithium manganese-rich (LMR) layered composite oxides. Despite the promise of LMR oxides in high-energy-density LIBs, an irreversible structural change has been identified in this work that is governed by the formation of a 'permanent' spin-glass type magnetically frustrated phase indicating a dominant AB(2)O(4) (A = Li, B = Mn) type spinel after a short-term lithium deintercalation (charging) and intercalation (discharging) process. Furthermore, reduction of transition metal (Mn) ions from the 4+ state (pristine LMR) to 3+ (cycled LMR), which alters the intercalation redox chemistry and suggests the presence of 'unfilled' lithium vacancies and/or oxygen vacancies in the lattice after cycling, has presented a major stumbling block. These situations result in both loss of capacity and fading of the voltage profile, and these combined effects significantly reduce the high energy density over even short-term cycling. (C) 2015 Elsevier B.V. All rights reserved. C1 [Mohanty, Debasish; Li, Jianlin; Wood, David L., III; Daniel, Claus] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. [Sefat, Athena S.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Payzant, E. Andrew] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. RP Mohanty, D (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci Div, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM mohantyd@ornl.gov RI Payzant, Edward/B-5449-2009; Daniel, Claus/A-2060-2008; Mohanty, Debasish/B-6207-2012; Li, Jianlin/D-3476-2011; Sefat, Athena/R-5457-2016; OI Payzant, Edward/0000-0002-3447-2060; Daniel, Claus/0000-0002-0571-6054; Mohanty, Debasish/0000-0003-1141-0657; Li, Jianlin/0000-0002-8710-9847; Sefat, Athena/0000-0002-5596-3504; Wood, David/0000-0002-2471-4214 FU U.S. Department of Energy (DOE) [DE-AC05-00OR22725]; DOE Energy Efficiency and Renewable Energy (EERE); Vehicle Technologies Office (VTO); Applied Battery Research (ABR) Program; DOE Basic Energy Sciences (BES), Materials Sciences and Engineering Division; VTO's ABR Program 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 DOE Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (VTO), Applied Battery Research (ABR) Program (Program Managers: Peter Faguy and David Howell). Part of this research was supported by the DOE Basic Energy Sciences (BES), Materials Sciences and Engineering Division. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. The LMR oxide was obtained from Argonne National Laboratory, in collaboration with Andrew Jansen and Bryant Polzin. The electrodes and cell fabrication and pouch cell testing were carried out at the DOE Battery Manufacturing R&D Facility at Oak Ridge National Laboratory (BMF), which is supported by VTO's ABR Program. We specially thank Dr. Daniel P. Abraham from Argonne National Laboratory for his invaluable help to design the electrochemical experiments for this study. NR 28 TC 4 Z9 4 U1 9 U2 109 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 2015 VL 283 BP 423 EP 428 DI 10.1016/j.jpowsour.2015.02.087 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA CH0SC UT WOS:000353731700047 ER PT J AU Nelson, PA Ahmed, S Gallagher, KG Dees, DW AF Nelson, Paul A. Ahmed, Shabbir Gallagher, Kevin G. Dees, Dennis W. TI Cost savings for manufacturing lithium batteries in a flexible plant SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium ion; Automotive batteries; Flexible plant; Manufacturing cost ID ELECTRIC VEHICLES AB The flexible plant postulated in this study would produce four types of batteries for electric-drive vehicles - a hybrid (HEV), 10-mile range and 40-mile range plug-in hybrids (PHEV), and a 150-mile range battery-electric (EV). The annual production rate of the plant is 235,000 battery packs (HEV: 100,000; PHEV10: 60,000; PHEV40: 45,000; EV: 30,000). The cost savings per battery pack calculated with the Argonne BatPaC model for this flex plant vs. dedicated plants range from 9% for the EV battery packs to 21% for the HEV packs including the battery management systems (BMS). The investment cost savings are even larger, ranging from 21% for EVs to 43% for HEVs. The costs of the 1.0-kWh HEV batteries are projected to approach $714 per unit and that of the EV batteries to approach $188 per kWh with the most favorable cell chemistries. The best single indicator of the cost of producing lithium-manganate spinel/graphite batteries in a flex plant is the total cell area of the battery. For the four batteries studied, the price range is $20-24 per m(2) of cell area, averaging $21 per m(2) for the entire flex plant. (C) 2015 Elsevier B.V. All rights reserved. C1 [Nelson, Paul A.; Ahmed, Shabbir; Gallagher, Kevin G.; Dees, Dennis W.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Ahmed, S (reprint author), Argonne Natl Lab, Bldg 200,9700 S Cass Ave, Argonne, IL 60439 USA. EM nelsonp@anl.gov; ahmeds@anl.gov; kevin.gallagher@anl.gov; dees@anl.gov FU Vehicle Technologies Program; Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX The authors wish to acknowledge Gary Henriksen for his help in preparing this manuscript. Support from the Vehicle Technologies Program, Hybrid and Electric Systems, initially under Tien Duong and now David Howlicense in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government.ell and Peter Faguy, at the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, is gratefully acknowledged. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under contract no. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide NR 26 TC 3 Z9 3 U1 3 U2 34 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 2015 VL 283 BP 506 EP 516 DI 10.1016/j.jpowsour.2015.02.142 PG 11 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA CH0SC UT WOS:000353731700056 ER PT J AU Lamb, J Orendorff, CJ Steele, LAM Spangler, SW AF Lamb, Joshua Orendorff, Christopher J. Steele, Leigh Anna M. Spangler, Scott W. TI Failure propagation in multi-cell lithium ion batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium ion safety; Thermal runaway; Failure propagation; Battery abuse; Multi-cell ID THERMAL-STABILITY; DESIGN; ISSUES; CELLS; PACKS AB Traditionally, safety and impact of failure concerns of lithium ion batteries have dealt with the field failure of single cells. However, large and complex battery systems require the consideration of how a single cell failure will impact the system as a whole. Initial failure that leads to the thermal runaway of other cells within the system creates a much more serious condition than the failure of a single cell. This work examines the behavior of small modules of cylindrical and stacked pouch cells after thermal runaway is induced in a single cell. Cylindrical cells are observed to be less prone to propagate owing to the limited contact between neighboring cells. The electrical connectivity is found to be impactful as the 10S1P cylindrical cell module did not show failure propagation through the module, while the 1S10P module had an energetic thermal runaway consuming the module minutes after the initiation failure trigger. Modules built using pouch cells conversely showed the impact of strong heat transfer between cells. In this case, a large surface area of the cells was in direct contact with its neighbors, allowing failure to propagate through the entire battery within 60-80 s for all configurations (parallel or series) tested. (C) 2014 Elsevier B.V. All rights reserved. C1 [Lamb, Joshua; Orendorff, Christopher J.; Steele, Leigh Anna M.; Spangler, Scott W.] Sandia Natl Labs, Adv Power Sources R&D, Livermore, CA 94550 USA. RP Lamb, J (reprint author), Sandia Natl Labs, Adv Power Sources R&D, Livermore, CA 94550 USA. EM jlamb@sandia.gov FU U.S. Department of Energy Vehicle Technologies Program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Funding for this work was provided by the U.S. Department of Energy Vehicle Technologies Program. We would like to thank our project sponsors David Howell and Brian Cunningham.; Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 25 TC 11 Z9 11 U1 11 U2 62 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 2015 VL 283 BP 517 EP 523 DI 10.1016/j.jpowsour.2014.10.081 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA CH0SC UT WOS:000353731700057 ER PT J AU Ye, JC An, YH Heo, TW Biener, MM Nikolic, RJ Tang, M Jiang, H Wang, YM AF Ye, J. C. An, Y. H. Heo, T. W. Biener, M. M. Nikolic, R. J. Tang, M. Jiang, H. Wang, Y. M. TI Enhanced lithiation and fracture behavior of silicon mesoscale pillars via atomic layer coatings and geometry design (vol 248, pg 447, 2014) SO JOURNAL OF POWER SOURCES LA English DT Correction C1 [Ye, J. C.; An, Y. H.; Heo, T. W.; Biener, M. M.; Tang, M.; Wang, Y. M.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Nikolic, R. J.] Lawrence Livermore Natl Lab, Ctr Micro & Nano Technol, Livermore, CA 94550 USA. [An, Y. H.; Jiang, H.] Arizona State Univ, Sch Engn Matter Transport & Energy, Tempe, AZ 85287 USA. RP Wang, YM (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. EM ymwang@llnl.gov NR 1 TC 0 Z9 0 U1 0 U2 5 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 2015 VL 283 BP 530 EP 530 DI 10.1016/j.jpowsour.2015.03.073 PG 1 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA CH0SC UT WOS:000353731700059 ER PT J AU Arey, BW Park, JJ Mayer, G AF Arey, Bruce W. Park, John J. Mayer, George TI Fibrillar organic phases and their roles in rigid biological composites SO JOURNAL OF THE MECHANICAL BEHAVIOR OF BIOMEDICAL MATERIALS LA English DT Article DE Natural composites; Energy dissipation; Fibrillar interfaces ID SPONGE; SPICULES AB This study focused on determining the presence of organic phases in the siliceous components of rigid marine composites ("glass" sponge spicules), and thereby clarifying how such composites dissipate significant mechanical energy. Through the use of imaging by helium ion microscopy in the examination of the spicules, the organic phase that is present between the layers of hydrated silica was also detected within the silica cylinders of the composite, indicating the existence therein of a network, scaffolding, or other pattern that has not yet been determined. It was concluded that the presence of an interpenetrating network of some kind, and tenacious fibrillar interfaces are responsible for large energy dissipation in these siliceous composites by viscoelastic and other mechanical deformation processes. This discovery means that future mechanics analyses of large deformation behavior of such natural rigid composites (that may also include teeth and bones) should be based on the presence of interpenetrating phases. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Arey, Bruce W.] PNNL, Environm Mol Sci Lab, Richland, WA USA. [Park, John J.] Janicki Ind, Sedro Woolley, WA USA. [Mayer, George] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. RP Mayer, G (reprint author), Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. EM gmayer@uw.edu FU Environmental Molecular Sciences Laboratory (EMSL) of the Pacific Northwest National Laboratory, Richland, WA [47731]; Leverite Group [1312013] FX This work was made possible by a cooperative grant from the Environmental Molecular Sciences Laboratory (EMSL) (Rapid Access Grant 47731, December 1, 2012) of the Pacific Northwest National Laboratory, Richland, WA, support from Professor Alex Jen, Department of Materials Science & Engineering, University of Washington, Seattle, WA, and from the Leverite Group, (Unrestricted Grant 1312013, January, 2013) Alexandria, VA. NR 26 TC 1 Z9 1 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1751-6161 EI 1878-0180 J9 J MECH BEHAV BIOMED JI J. Mech. Behav. Biomed. Mater. PD JUN PY 2015 VL 46 BP 343 EP 349 DI 10.1016/j.jmbbm.2015.01.011 PG 7 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA CH0ZY UT WOS:000353752100032 PM 25791572 ER PT J AU Mendelev, MI Zhang, F Ye, Z Sun, Y Nguyen, MC Wilson, SR Wang, CZ Ho, KM AF Mendelev, M. I. Zhang, F. Ye, Z. Sun, Y. Nguyen, M. C. Wilson, S. R. Wang, C. Z. Ho, K. M. TI Development of interatomic potentials appropriate for simulation of devitrification of Al90Sm10 alloy SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE semi-empirical potentials; molecular dynamics simulation; liquid/glass structure ID LIQUID AL; CU; METALS; CRYSTALLINE; CONSISTENT; SYSTEM AB A semi-empirical potential for the Al90Sm10 alloy is presented. The potential provides satisfactory reproduction of pure Al properties, the formation energies of a set of Al-Sm crystal phases with Sm content about 10%, and the structure of the liquid Al90Sm10 alloy. During molecular dynamics simulation in which the liquid alloy is cooled at a rate of 1010 K s(-1), the developed potential produces a glass structure with lower ab initio energy than that produced by ab initio molecular dynamics (AIMD) itself using a typical AIMD cooling rate of 8.1013 K s(-1). Based on these facts the developed potential should be suitable for simulations of phase transformations in the Al90Sm10 alloy. C1 [Mendelev, M. I.; Zhang, F.; Ye, Z.; Sun, Y.; Nguyen, M. C.; Wilson, S. R.; Wang, C. Z.; Ho, K. M.] Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA. [Ho, K. M.] Iowa State Univ, Dept Phys, Ames, IA 50011 USA. [Sun, Y.] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China. [Sun, Y.] Univ Sci & Technol China, Dept Phys, Hefei 230026, Anhui, Peoples R China. RP Mendelev, MI (reprint author), Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA. EM mendelev@ameslab.gov RI Nguyen, Manh Cuong/G-2783-2015 OI Nguyen, Manh Cuong/0000-0001-8027-9029 FU U S Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering; U S Department of Energy [DE-AC02-07CH11358] FX The authors are grateful to R T Ott, E Park, M F Besser and M J Kramer who performed experimental studies which motivated the present work and were heavily involved in the discussion of our simulation results. This work was supported by the U S Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering, including the computer time allocations at the national energy research scientific computing center (NERSC) in Berkeley, CA. The research was performed at the Ames Laboratory. Ames Laboratory is operated for the U S Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 24 TC 5 Z9 5 U1 1 U2 9 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 2015 VL 23 IS 4 AR 045013 DI 10.1088/0965-0393/23/4/045013 PG 11 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CH3RQ UT WOS:000353948400013 ER PT J AU Tonks, MR Zhang, YF Butterfield, A Bai, XM AF Tonks, Michael R. Zhang, Yongfeng Butterfield, Aaron Bai, Xian-Ming TI Development of a grain boundary pinning model that considers particle size distribution using the phase field method SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE zener pinning; phase field method; grain boundary migration; grain growth ID 2ND-PHASE PARTICLES; COMPUTER-SIMULATIONS; MOLECULAR-DYNAMICS; GROWTH; METALS; KINETICS; INHIBITION; DRAG AB In this work, we expand a grain boundary (GB) pinning model that considers a range of different spatial distributions of particles to also account for a distribution of particle sizes. We begin by developing a phase field model that describes GB and pore interactions and verify it by comparing to molecular dynamics simulations. We then develop an analytical pinning model that considers the impact of the particle size distribution, in terms of the mean and standard deviation of the particle radius. The analytical model is verified by comparing to simulation results of our phase field model and those of a simple Monte Carlo model. A significant finding from the model is that the mean value of the resistive pressure decreases with increasing standard deviation of the particle radius. C1 [Tonks, Michael R.; Zhang, Yongfeng; Butterfield, Aaron; Bai, Xian-Ming] Idaho Natl Lab, Fuel Modeling & Simulat, Idaho Falls, ID 83415 USA. RP Tonks, MR (reprint author), Idaho Natl Lab, Fuel Modeling & Simulat, POB 1625, Idaho Falls, ID 83415 USA. EM Michael.Tonks@inl.gov RI Bai, Xianming/E-2376-2017 OI Bai, Xianming/0000-0002-4609-6576 FU Department of Energy Nuclear Energy Advanced Modeling and Simulation program; US Department of Energy [DE-AC07-05ID14517] FX This work was funded by the Department of Energy Nuclear Energy Advanced Modeling and Simulation program. This manuscript has been authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 with the US Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 31 TC 4 Z9 4 U1 4 U2 20 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 2015 VL 23 IS 4 AR 045009 DI 10.1088/0965-0393/23/4/045009 PG 16 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CH3RQ UT WOS:000353948400009 ER PT J AU Montesinos, VN Sleiman, M Cohn, S Litter, MI Destaillats, H AF Montesinos, V. Nahuel Sleiman, Mohamad Cohn, Sebastian Litter, Marta I. Destaillats, Hugo TI Detection and quantification of reactive oxygen species (ROS) in indoor air SO TALANTA LA English DT Article DE Reactive oxygen species (ROS); Hydroxyl radical; Hydrogen peroxide; Plasma air cleaner ID HYDROGEN-PEROXIDE; SECONDARY POLLUTANTS; HENRYS LAW; GAS-PHASE; TEMPERATURE; BIOAEROSOLS; OZONE; HYDROPEROXIDES; INACTIVATION; CHEMISTRY AB Reactive oxygen species (ROS), such as free radicals and peroxides, are environmental trace pollutants potentially associated with asthma and airways inflammation. These compounds are often not detected in indoor air due to sampling and analytical limitations. This study developed and validated an experimental method to sample, identify and quantify ROS in indoor air using fluorescent probes. Tests were carried out simultaneously using three different probes: 2',7'-dichlorofluorescin (DCFH) to detect a broad range of ROS, Amplex ultra Red (R) (AuR) to detect peroxides, and terephthalic acid (TPA) to detect hydroxyl radicals (HO center dot). For each test, air samples were collected using two impingers in series kept in an ice bath, containing each 10 mL of 50 mM phosphate buffer at pH 7.2. In tests with TPA, that probe was also added to the buffer prior to sampling; in the other two tests, probes and additional reactants were added immediately after sampling. The concentration of fluorescent byproducts was determined fluorometrically. Calibration curves were developed by reacting DCFH and AuR with known amounts of H2O2, and using known amounts of 2-hydroxyterephthalic acid (HTPA) for TPA. Low detection limits (9-13 nM) and quantification limits (18-22 nM) were determined for all three probes, which presented a linear response in the range 10-500 nM for AuR and TPA, and 100-2000 nM for DCFH. High collection efficiency (CE) and recovery efficiency (RE) were observed for DCFH (CE=RE=100%) and AuR (CE=100%; RE=73%) by sampling from a laboratory-developed gas phase H2O2 generator. Interference of co-occurring ozone was evaluated and quantified for the three probes by sampling from the outlet of an ozone generator. The method was demonstrated by sampling air emitted by two portable air cleaners: a strong ozone generator (AC1) and a plasma generator (AC2). High ozone levels emitted by AC1 did not allow for simultaneous determination of ROS levels due to high background levels associated with ozone decomposition in the buffer. However, emitted ROS were quantified at the outlet of AC2 using two of the three probes. With AuR, the concentration of peroxides in air emitted by the air cleaner was 300 ppt of H2O2 equivalents. With WA, the HO center dot concentration was 47 ppt This method is best suited to quantify ROS in the presence of low ozone levels. Published by Elsevier B.V. C1 [Montesinos, V. Nahuel; Litter, Marta I.] Comis Nacl Energia Atom, RA-1650 San Martin, Buenos Aires, Argentina. [Montesinos, V. Nahuel; Litter, Marta I.] Consejo Nacl Invest Cient & Tecn, RA-1033 Buenos Aires, DF, Argentina. [Montesinos, V. Nahuel] Univ Buenos Aires, FCEN, INQUIMAE, DQIAQF, Buenos Aires, DF, Argentina. [Sleiman, Mohamad; Cohn, Sebastian; Destaillats, Hugo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Indoor Environm Grp, Berkeley, CA 94720 USA. [Sleiman, Mohamad] Clermont Univ, ENSCCF, Inst Chim Clermont Ferrand, F-63000 Clermont Ferrand, France. [Sleiman, Mohamad] CNRS, UMR 6296, ICCF, F-63177 Clermont Ferrand, France. [Litter, Marta I.] Univ Gen San Martin, Inst Invest & Ingn Ambiental, RA-1650 San Martin, Pcia Buenos Air, Argentina. RP Destaillats, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Indoor Environm Grp, 1 Cyclotron Rd,MS 70-108B, Berkeley, CA 94720 USA. EM HDestaillats@lbl.gov OI Litter, Marta/0000-0002-0312-0177 FU California Air Resources Board (CARB) [10-320]; U.S. Department of Energy [DE-AC02-05CH11231]; Agenda Nacional de Promocion Cientifica y Tecnologica (Argentina) [PICT-0463] FX This study was funded by the California Air Resources Board (CARB) through Agreement no. 10-320. It was carried out at Lawrence Berkeley National Laboratory (LBNL), which operates under U.S. Department of Energy Contract DE-AC02-05CH11231. The authors thank P. Jenkins, M. Gabor and Q. Zhang of CARB's Research Division for their inputs, review and effective technical management. We also acknowledge valuable suggestions from W. Fisk (LBNL), S. Paulson (UCLA) and T. Kirchstetter (LBNL), and the experimental contributions of M. Russell (LBNL). The statements and conclusions in this study are those of the contractor and not necessarily those of CARB. The mention of commercial products, their source, or their use in connection with material reported herein is not to be construed as actual or implied endorsement of such products. VNM and MIL were supported by Agenda Nacional de Promocion Cientifica y Tecnologica (Argentina), project PICT-0463. NR 36 TC 2 Z9 2 U1 7 U2 68 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-9140 EI 1873-3573 J9 TALANTA JI Talanta PD JUN 1 PY 2015 VL 138 BP 20 EP 27 DI 10.1016/j.talanta.2015.02.015 PG 8 WC Chemistry, Analytical SC Chemistry GA CG8ZC UT WOS:000353603200004 PM 25863366 ER PT J AU Sun, N Xu, F Sathitsuksanoh, N Thompson, VS Cafferty, K Li, CL Tanjore, D Narani, A Pray, TR Simmons, BA Singh, S AF Sun, Ning Xu, Feng Sathitsuksanoh, Noppadon Thompson, Vicki S. Cafferty, Kara Li, Chenlin Tanjore, Deepti Narani, Akash Pray, Todd R. Simmons, Blake A. Singh, Seema TI Blending municipal solid waste with corn stover for sugar production using ionic liquid process SO BIORESOURCE TECHNOLOGY LA English DT Article DE Biomass pretreatment; Municipal solid waste; Paper mix; Ionic liquid; Acidolysis ID PRETREATMENT; BIOMASS AB Municipal solid waste (MSW) represents an attractive cellulosic resource for sustainable fuel production. However, its heterogeneity is the major barrier to efficient conversion to biofuels. MSW paper mix was generated and blended with corn stover (CS). It has been shown that both of them can be efficiently pretreated in certain ionic liquids (ILs) with high yields of fermentable sugars. After pretreatment in 1-ethyl-3-methylimidazolium acetate ([C(2)C(1)Im][OAc]), over 80% glucose has been released with enzymatic saccharification. We have also applied an enzyme-free process by adding mineral acid and water directly into the IL/biomass slurry to induce hydrolysis. With the acidolysis process in 1-ethyl-3-methylimidazolium chloride ([C(2)C(1)Im] Cl), up to 80% glucose and 90% xylose are released. There is a correlation between the viscosity profile and hydrolysis efficiency; low viscosity of the hydrolysate generally corresponds to high sugar yields. Overall, the results indicate the feasibility of incorporating MSW as a robust blending agent for biorefineries. (C) 2015 Published by Elsevier Ltd. C1 [Sun, Ning; Xu, Feng; Sathitsuksanoh, Noppadon; Simmons, Blake A.; Singh, Seema] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Deconstruct Div, Berkeley, CA 94720 USA. [Xu, Feng; Simmons, Blake A.; Singh, Seema] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA 94550 USA. [Thompson, Vicki S.] Idaho Natl Lab, Biol & Chem Proc Dept, Idaho Falls, ID USA. [Cafferty, Kara] Idaho Natl Lab, Environm Engn & Technol, Idaho Falls, ID USA. [Li, Chenlin; Tanjore, Deepti; Narani, Akash; Pray, Todd R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Biofuel Proc Demonstrat Unit, Berkeley, CA 94720 USA. RP Singh, S (reprint author), Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA 94550 USA. RI Thompson, Vicki/B-9086-2017 OI Thompson, Vicki/0000-0003-4975-392X FU DOE Energy Efficiency and Renewable Energy's BioEnergy Technology Office; Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The enzyme mixtures used in this study were obtained as a gift from Novozymes. This work was supported by funding from the DOE Energy Efficiency and Renewable Energy's BioEnergy Technology Office. The portion of the work conducted by the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 13 TC 3 Z9 3 U1 3 U2 27 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 2015 VL 186 BP 200 EP 206 DI 10.1016/j.biortech.2015.02.087 PG 7 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA CG3PA UT WOS:000353190900026 PM 25817030 ER PT J AU Arendt, DL Blaha, LM AF Arendt, Dustin L. Blaha, Leslie M. TI Opinions, influence, and zealotry: a computational study on stubbornness SO COMPUTATIONAL AND MATHEMATICAL ORGANIZATION THEORY LA English DT Article DE Dimer automaton; Innovation diffusion; Opinion dynamics; Influence maximization; Zealot ID CELLULAR-AUTOMATA; SYSTEMS; DYNAMICS; INNOVATION; DIFFUSION; MODELS AB We present a simple, efficient, and predictive model for opinion dynamics with zealots. Our model captures curvature-driven dynamics (e.g., clear, smooth boundaries separating domains whose curvature decreases over time) through a simple, individual rule, providing a method for rapidly testing basic hypotheses about innovation diffusion, opinion dynamics, and related phenomena. Our model belongs to a class of models called dimer automata, which are asynchronous, graph-based (i.e., non-uniform lattice) variants of cellular automata. Individuals in the model update their states via a dyadic update rule; population opinion dynamics emerge from these pairwise interactions. Zealots are stubborn individuals whose opinion is not susceptible to influence by others. We observe experimentally that a system without zealots usually converges to the majority opinion, but a relatively small number of zealots can sway the opinion of the whole population. The influence of zealots can be further increased by placing zealots at more effective locations within the network. These locations can be determined by rankings from standard social network analysis metrics, or by using a greedy algorithm for influence maximization. We apply the influence maximization technique to a politically polarized social network to explore opinion dynamics in a real-world network and to gain insight about influence and political entrenchment through the zealot model's ability to sway the entire network to one side or the other. C1 [Arendt, Dustin L.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Blaha, Leslie M.] Air Force Res Lab, Wright Patterson AFB, OH USA. RP Arendt, DL (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM dustin.arendt@pnnl.gov; leslie.blaha@us.af.mil FU AFOSR LRIR [12RH12COR]; National Research Council Research Associateship Award at the Air Force Research Laboratory FX Distribution A: Approved for public release; distribution unlimited. 88ABW cleared 11/08/2013; 88 ABW-2013-4691. This work was supported by AFOSR LRIR 12RH12COR to L.M.B. This research was performed while D.L.A. held a National Research Council Research Associateship Award at the Air Force Research Laboratory. NR 41 TC 7 Z9 7 U1 0 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1381-298X EI 1572-9346 J9 COMPUT MATH ORGAN TH JI Comput. Math. Organ. Theory PD JUN PY 2015 VL 21 IS 2 BP 184 EP 209 DI 10.1007/s10588-015-9181-1 PG 26 WC Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Social Sciences, Mathematical Methods SC Computer Science; Mathematics; Mathematical Methods In Social Sciences GA CG7EX UT WOS:000353466500003 ER PT J AU Qu, XH Jain, A Rajput, NN Cheng, L Zhang, Y Ong, SP Brafman, M Maginn, E Curtiss, LA Persson, KA AF Qu, Xiaohui Jain, Anubhav Rajput, Nav Nidhi Cheng, Lei Zhang, Yong Ong, Shyue Ping Brafman, Miriam Maginn, Edward Curtiss, Larry A. Persson, Kristin A. TI The Electrolyte Genome project: A big data approach in battery materials discovery SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE High-throughput; Battery; DFT; Ionization potential; Electron affinity; IP/EA; Dissociation constants; Electrolyte ID DENSITY-FUNCTIONAL THEORIES; CLEAN ENERGY PROJECT; REDOX FLOW BATTERY; ION-PAIR FORMATION; ELECTROCHEMICAL WINDOWS; THERMOCHEMICAL KINETICS; ORGANIC PHOTOVOLTAICS; NDDO APPROXIMATIONS; MOLECULAR-DYNAMICS; QUANTUM-CHEMISTRY AB We present a high-throughput infrastructure for the automated calculation of molecular properties with a focus on battery electrolytes. The infrastructure is largely open-source and handles both practical aspects (input file generation, output file parsing, and information management) as well as more complex problems (structure matching, salt complex generation, and failure recovery). Using this infrastructure, we have computed the ionization potential (IP) and electron affinities (EA) of 4830 molecules relevant to battery electrolytes (encompassing almost 55,000 quantum mechanics calculations) at the B3LYP/6-31+G(*) level. We describe automated workflows for computing redox potential, dissociation constant, and salt-molecule binding complex structure generation. We present routines for automatic recovery from calculation errors, which brings the failure rate from 9.2% to 0.8% for the QChem DFT code. Automated algorithms to check duplication between two arbitrary molecules and structures are described. We present benchmark data on basis sets and functionals on the G2-97 test set; one finding is that a IP/EA calculation method that combines PBE geometry optimization and B3LYP energy evaluation requires less computational cost and yields nearly identical results as compared to a full B3LYP calculation, and could be suitable for the calculation of large molecules. Our data indicates that among the 8 functionals tested, XYGJ-OS and B3LYP are the two best functionals to predict IP/EA with an RMSE of 0.12 and 0.27 eV, respectively. Application of our automated workflow to a large set of quinoxaline derivative molecules shows that functional group effect and substitution position effect can be separated for IP/EA of quinoxaline derivatives, and the most sensitive position is different for IP and EA. Published by Elsevier B.V. C1 [Qu, Xiaohui; Jain, Anubhav; Rajput, Nav Nidhi; Brafman, Miriam; Persson, Kristin A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Cheng, Lei; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Zhang, Yong; Maginn, Edward] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA. [Ong, Shyue Ping] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA. RP Persson, KA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RI Ong, Shyue Ping/D-7573-2014 OI Ong, Shyue Ping/0000-0001-5726-2587 FU U.S. Department of Energy, Basic Energy Science, Joint Center for Energy Storage Research [DE-AC02-06CH11357]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Materials Project (BES DOE) [EDCBEE] FX Support for this work came from the U.S. Department of Energy, Basic Energy Science, Joint Center for Energy Storage Research under Contract No. DE-AC02-06CH11357. The calculations were performed using the computational resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The Materials Project (BES DOE Grant No. EDCBEE) is acknowledged for infrastructure and algorithmic support. NR 76 TC 22 Z9 22 U1 18 U2 114 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD JUN 1 PY 2015 VL 103 BP 56 EP 67 DI 10.1016/j.commatsci.2015.02.050 PG 12 WC Materials Science, Multidisciplinary SC Materials Science GA CG6AK UT WOS:000353377100007 ER PT J AU Uberuaga, BP Sickafus, KE AF Uberuaga, Blas Pedro Sickafus, Kurt E. TI Interpreting oxygen vacancy migration mechanisms in oxides using the layered structure motif SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Oxides; Layered structure motif; Defect kinetics; Oxygen vacancy ID MAGNESIUM ALUMINATE SPINEL; A(2)B(2)O(7) PYROCHLORES; RADIATION-DAMAGE; CERIA; SIMULATIONS; DIFFUSION; STABILITY; DYNAMICS; DISORDER; DEFECTS AB The manner in which oxygen vacancies migrate in oxide ceramics is analyzed in terms of an atom layer stacking motif to elucidate similarities and differences in migration mechanisms as a function of crystal structure and chemistry. In particular, five oxide structures are examined: rocksalt, spinel, bixbyite, pyrochlore, and fluorite. While there are similarities that are related to structure in the types of migration mechanisms that are possible, there are significant differences as a consequence of chemistry and deviations from the parent structures (rocksalt and fluorite). One primary difference occurs because of structural relaxations related to the complex chemistry in spinel and pyrochlore, in which oxygen ions tend to form localized groupings within which oxygen vacancy hopping mechanisms are particularly fast. While these mechanisms cannot lead to net migration, a kinetic Monte Carlo model does show that they do influence overall diffusivity. We conclude that the atom layer stacking motif is an effective scheme to understand the dependency of oxygen vacancy migration mechanisms on oxide crystal structure. (C) 2014 Elsevier B.V. All rights reserved. C1 [Uberuaga, Blas Pedro] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Sickafus, Kurt E.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Uberuaga, BP (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM blas@lanl.gov FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; National Nuclear Security Administration of the (U.S.) Department of Energy [DE-AC52-06NA25396] FX This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the (U.S.) Department of Energy under contract DE-AC52-06NA25396. We thank Arthur F. Voter for helpful discussions. NR 46 TC 4 Z9 4 U1 2 U2 31 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD JUN 1 PY 2015 VL 103 BP 216 EP 223 DI 10.1016/j.commatsci.2014.10.013 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA CG6AK UT WOS:000353377100029 ER PT J AU Sjostrand, T Ask, S Christiansen, JR Corke, R Desai, N Ilten, P Mrenna, S Prestel, S Rasmussen, CO Skands, PZ AF Sjostrand, Torbjorn Ask, Stefan Christiansen, Jesper R. Corke, Richard Desai, Nishita Ilten, Philip Mrenna, Stephen Prestel, Stefan Rasmussen, Christine O. Skands, Peter Z. TI An introduction to PYTHIA 8.2 SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Event generators; Multiparticle production; Matrix elements; Parton showers; Matching and merging; Multiparton interactions; Hadronisation ID LUND MONTE-CARLO; HIGH-ENERGY-PHYSICS; TOTAL CROSS-SECTIONS; HIGH-PT PHYSICS; JET FRAGMENTATION; PARTON SHOWERS; EVENT GENERATION; MATRIX-ELEMENTS; E+E-PHYSICS; QCD AB The PYTHIA program is a standard tool for the generation of events in high-energy collisions, comprising a coherent set of physics models for the evolution from a few-body hard process to a complex multiparticle final state. It contains a library of hard processes, models for initial- and final-state parton showers, matching and merging methods between hard processes and parton showers, multiparton interactions, beam remnants, string fragmentation and particle decays. It also has a set of utilities and several interfaces to external programs. PYTHIA 8.2 is the second main release after the complete rewrite from Fortran to C++, and now has reached such a maturity that it offers a complete replacement for most applications, notably for LHC physics studies. The many new features should allow an improved description of data. New version program summary Program title: PYTHIA 8.2 Catalogue identifier: ACTU_v4_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/ACTU_v4_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public Licence, version 2 No. of lines in distributed program, including test data, etc.: 478360 No. of bytes in distributed program, including test data, etc.: 14131810 Distribution format: tar.gz Programming language: C++. Computer: Commodity PCs, Macs. Operating system: Linux, OS X; should also work on other systems. RAM: 10 megabytes Classification: 11.2. Does the new version supersede the previous version?: Yes Catalogue identifier of previous version: ACTU_v3_0 Journal reference of previous version: Comput Phys. Comm. 178 (2008) 852 Nature of problem: High-energy collisions between elementary particles normally give rise to complex final states, with large multiplicities of hadrons, leptons, photons and neutrinos. The relation between these final states and the underlying physics description is not a simple one, for two main reasons. Firstly, we do not even in principle have a complete understanding of the physics. Secondly, any analytical approach is made intractable by the large multiplicities. Solution method: Complete events are generated by Monte Carlo methods. The complexity is mastered by a subdivision of the full problem into a set of simpler separate tasks. All main aspects of the events are simulated, such as hard-process selection, initial- and final-state radiation, beam remnants, fragmentation, decays, and so on. Therefore events should be directly comparable with experimentally observable ones. The programs can be used to extract physics from comparisons with existing data, or to. study physics at future experiments. Reasons for new version: Improved and expanded physics models. Summary of revisions: Hundreds of new features and bug fixes, allowing improved modelling. Restrictions: Depends on the problem studied. Running time: 10-1000 events per second, depending on process studied. (C) 2015 Elsevier B.V. All rights reserved. C1 [Sjostrand, Torbjorn; Christiansen, Jesper R.; Corke, Richard; Rasmussen, Christine O.] Lund Univ, Dept Astron & Theoret Phys, SE-22362 Lund, Sweden. [Ask, Stefan] Univ Cambridge, Dept Phys, Cambridge, England. [Desai, Nishita] Heidelberg Univ, Inst Theoret Phys, D-69120 Heidelberg, Germany. [Ilten, Philip] MIT, Cambridge, MA 02139 USA. [Mrenna, Stephen] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Prestel, Stefan] DESY, Theory Grp, D-22607 Hamburg, Germany. [Prestel, Stefan] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Skands, Peter Z.] CERN PH, CH-1211 Geneva 23, Switzerland. [Skands, Peter Z.] Monash Univ, Sch Phys, Melbourne, Vic 3800, Australia. RP Sjostrand, T (reprint author), Lund Univ, Dept Astron & Theoret Phys, Solvegatan 14A, SE-22362 Lund, Sweden. EM torbjorn@thep.lu.se OI Skands, Peter/0000-0003-0024-3822; Sjostrand, Torbjorn/0000-0002-7630-8605 FU Swedish Research Council [621-2013-4287]; MCnetITN FP7 Marie Curie Initial Training Network [PITN-GA-2012-315877] FX The work was supported in part by the Swedish Research Council, contract number 621-2013-4287, and in part by the MCnetITN FP7 Marie Curie Initial Training Network, contract PITN-GA-2012-315877. NR 109 TC 148 Z9 148 U1 2 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JUN PY 2015 VL 191 BP 159 EP 177 DI 10.1016/j.cpc.2015.01.024 PG 19 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA CG2CZ UT WOS:000353083800017 ER PT J AU Verbeke, JM Randrup, J Vogt, R AF Verbeke, J. M. Randrup, J. Vogt, R. TI Fission Reaction Event Yield Algorithm, FREYA - For event-by-event simulation of fission SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Fission; Event-by-event Monte Carlo ID PROMPT NEUTRON EMISSION; NUCLEAR-MASS FORMULA; CF-252; PU-239; U-233 AB From nuclear materials accountability to detection of special nuclear material, SNM, the need for better modeling of fission has grown over the past decades. Current radiation transport codes compute average quantities with great accuracy and performance, but performance and averaging come at the price of limited interaction-by-interaction modeling. For fission applications, these codes often lack the capability of modeling interactions exactly: energy is not conserved, energies of emitted particles are uncorrelated, prompt fission neutron and photon multiplicities are uncorrelated. Many modern applications require more exclusive quantities than averages, such as the fluctuations in certain observables (e.g. the neutron multiplicity) and correlations between neutrons and photons. The new computational model, FREYA (Fission Reaction Event Yield Algorithm), aims to meet this need by modeling complete fission events. Thus it automatically includes fluctuations as well as correlations resulting from conservation of energy and momentum. FREYA has been integrated into the LLNL Fission Library, and will soon be part of MCNPX2.7.0, MCNP6, TRIPOLI-4.9, and Geant4.10. Program summary Program title: FREYA 1.0 Catalogue identifier: AEVS_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEVS_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Special LLNL licence No. of lines in distributed program, including test data, etc.: 187792 No. of bytes in distributed program, including test data, etc.: 2585089 Distribution format: tar.gz Programming language: Fortran 90, C++. Computer: Any computer with a Fortran 90 and a C++ compiler, tested with (a) Intel Xeon CPU X5660, 2.8 GHz, 48 GB RAM, (b) Intel(R) Xeon(R) CPU E5-2620, 2 GHz, 64 GB RAM, (c) Intel Xeon CPU W3520, 2.67 GHz, 6 GB RAM. Operating system: (a) Red Hat Enterprise Linux Server release 6.5 (GNU Fortran and g++ (GCC) 4.4.7 20120313 (Red Hat 4.4.7-4)), (b) CentOS release 6.4 (GNU Fortran and g++ (GCC) 4.4.7 20120313 (Red Hat 4.4.7-3)), (c) MacBook Pro OSX 10.6.8 (GNU Fortran and g++-mp-4.7 (MacPorts gcc47 4.7.3 5) 4.7.3). RAM: 6 GB Classification: 17.8. Nature of problem: Modeling of fission events. Solution method: Simulation of complete fission events, production of secondary fission fragments, fission neutrons and photons. Restrictions: Restricted to spontaneous fission of 238 U, 240 Pu, 244 Cm, 252 Cf; neutron-induced fission of 233 U, 235 U, 239 Pu, for incident neutron energies less than 20 MeV. Running time: 8 s for 1M events. Published by Elsevier B.V. C1 [Verbeke, J. M.; Vogt, R.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Randrup, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Vogt, R.] Univ Calif Davis, Davis, CA 95616 USA. RP Verbeke, JM (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM verbeke@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and by Lawrence Berkeley National Laboratory under Contract DE-AC02-05CH11231. NR 44 TC 8 Z9 8 U1 2 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JUN PY 2015 VL 191 BP 178 EP 202 DI 10.1016/j.cpc.2015.02.002 PG 25 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA CG2CZ UT WOS:000353083800018 ER PT J AU Jaffari, GH Rumaiz, AK Ni, C Yassitepe, E Bah, M Shah, SI AF Jaffari, G. Hassnain Rumaiz, Abdul K. Ni, C. Yassitepe, Emre Bah, M. Shah, S. Ismat TI Observation of metastable phase separation and amorphous phase in Fe67Co33 alloy thin films synthesized by pulsed laser depositions SO CURRENT APPLIED PHYSICS LA English DT Article DE Pulsed laser deposition; Fe67Co33 films; Metastable phase; Shape anisotropy; Quenching AB Pulsed laser deposition technique has been used to manipulate the structural order of Fe67Co33 films grown at various substrate temperatures. Films deposited at room temperature exhibited two phases including the stable crystalline phase embedded in the amorphous phase. The crystalline phase separated into two distinct bcc phases as evident from the splitting of (110) reflections, as compared to the bulk counterpart which crystalize into the single phase bcc structure. Both crystalline phases and the amorphous phase were metastable. Films prepared at higher substrate temperatures (similar to 500 degrees C), crystallized into the single stable equilibrium bcc structure. Orientation dependent magnetic properties are also presented for the films prepared at both room temperature and higher substrate temperatures. As expected, the easy axes lie parallel to the plane of the substrate due to shape anisotropy. Out of plane magnetization for the films which exhibited short range ordering is found to saturate at smaller field compared to films where single phase bcc structure is stabilized. (C) 2015 Elsevier B.V. All rights reserved. C1 [Jaffari, G. Hassnain] Quaid I Azam Univ, Dept Phys, Islamabad, Pakistan. [Rumaiz, Abdul K.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Ni, C.; Yassitepe, Emre; Bah, M.; Shah, S. Ismat] Univ Delaware, Dept Mat Sci & Engn, Newark, DE 19716 USA. [Shah, S. Ismat] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. RP Jaffari, GH (reprint author), Quaid I Azam Univ, Dept Phys, Islamabad, Pakistan. EM hassnain@udel.edu NR 14 TC 0 Z9 0 U1 0 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1567-1739 EI 1878-1675 J9 CURR APPL PHYS JI Curr. Appl. Phys. PD JUN PY 2015 VL 15 IS 6 BP 717 EP 721 DI 10.1016/j.cap.2015.03.001 PG 5 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CG6FA UT WOS:000353391400010 ER EF