FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Li, K Gao, SM Wang, QY Xu, H Wang, ZY Huang, BB Dai, Y Lu, J AF Li, Kai Gao, Shanmin Wang, Qingyao Xu, Hui Wang, Zeyan Huang, Baibiao Dai, Ying Lu, Jun TI In-Situ-Reduced Synthesis of Ti3+ Self-Doped TiO2/g-C3N4 Heterojunctions with High Photocatalytic Performance under LED Light Irradiation SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE Ti3+ self-doped; TiO2/g-C3N4 heterojunctions; visible-light photocatalytic; LED light source ID GRAPHITIC CARBON NITRIDE; VISIBLE-LIGHT; COMPOSITE PHOTOCATALYST; EFFICIENT DEGRADATION; HYDROGEN EVOLUTION; TITANIUM-DIOXIDE; TIO2 NANOSHEETS; NANOPARTICLES; NANOCOMPOSITES; ENHANCEMENT AB A simple one-step calcination route was used to prepare Ti3+ self-doped TiO2/g-C3N4 heterojunctions by mixture of H2Ti3O7 and melamine. X-ray diffraction (XRD), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), electron spin resonance (ESR) spectroscopy, and UV-Vis diffuse reflectance spectroscopy (UV-vis DRS) technologies were used to characterize the structure, crystallinity, morphology, and chemical state of the as-prepared samples. The absorption of the prepared Ti3+ self-doped TiO2/g-C3N4 heterojunctions shifted to a longer wavelength region in comparison with pristine TiO2 and g-C3N4. The photocatalytic activities of the heterojunctions were studied by degrading methylene blue under a 30 W visible-light-emitting diode irradiation source. The visible-light photocatalytic activities enhanced by the prepared Ti3+ self-doped TiO2/g-C3N4 heterojunctions were observed and proved to be better than that of pure TiO2 and g-C3N4. The photocatalysis mechanism was investigated and discussed. The intensive separation efficiency of photogenerated electron-hole in the prepared heterojunction was confirmed by photoluminescence (PL) spectra. The removal rate constant reached 0.038 min(-1) for the 22.3 wt % Ti3+ self-doped TiO2/g-C3N4 heterojunction, which was 26.76 and 7.6 times higher than that of pure TiO2 and g-C3N4, respectively. The established heterojunction between the interfaces of TiO2 nanoparticles and g-C3N4 nanosheets as well as introduced Ti3+ led to the rapid electron transfer rate and improved photoinduced electron-hole pair's separation efficiency, resulting in the improved photocatalytic performance of the Ti3+ self-doped TiO2/g-C3N4 heterojunctions. C1 [Li, Kai; Gao, Shanmin; Wang, Qingyao; Xu, Hui] Ludong Univ, Coll Chem & Mat Sci, Yantai 264025, Peoples R China. [Gao, Shanmin; Wang, Zeyan; Huang, Baibiao; Dai, Ying] Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Peoples R China. [Lu, Jun] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Gao, SM (reprint author), Ludong Univ, Coll Chem & Mat Sci, Yantai 264025, Peoples R China. EM gaosm@ustc.edu; bbhuang@sdu.edu.cn; junlu@anl.gov FU Natural Science Foundation of Shandong Province [ZR2013EMZ001]; National Basic Research Program of China [2013CB632401]; National Nature Science Foundation of China [51402145]; Shandong Province Higher Educational Science and Technology Program [J12LA01]; Program for Scientific Research Innovation Team in Colleges and Universities of Shandong Province; U.S. Department of Energy [DE-AC0206CH11357]; Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) FX This work was supported by the Key Project of Natural Science Foundation of Shandong Province (ZR2013EMZ001), the National Basic Research Program of China (Grant No. 2013CB632401), the National Nature Science Foundation of China (51402145), and the Project of Shandong Province Higher Educational Science and Technology Program (J12LA01). This research has also been partially supported by the Program for Scientific Research Innovation Team in Colleges and Universities of Shandong Province. This work was also supported by the U.S. Department of Energy under Contract DE-AC0206CH11357 with the main support provided by the Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE). NR 52 TC 54 Z9 56 U1 69 U2 324 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD MAY 6 PY 2015 VL 7 IS 17 BP 9023 EP 9030 DI 10.1021/am508505n PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CH9EM UT WOS:000354338800010 PM 25867955 ER PT J AU Azimi, N Xue, Z Bloom, I Gordin, ML Wang, DH Daniel, T Takoudis, C Zhang, ZC AF Azimi, Nasim Xue, Zheng Bloom, Ira Gordin, Mikhail L. Wang, Donghai Daniel, Tad Takoudis, Christos Zhang, Zhengcheng TI Understanding the Effect of a Fluorinated Ether on the Performance of Lithium-Sulfur Batteries SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE lithium-sulfur batteries; fluorinated electrolyte; polysulfide shuttle dissolution; solid-electrolyte interphase; lithium anode passivation ID IONIC LIQUID ELECTROLYTE; X-RAY-DIFFRACTION; GLYCOL) DIMETHYL ETHER; ELECTROCHEMICAL PERFORMANCE; COMPOSITE ELECTRODES; THERMAL-STABILITY; CATHODE; DISCHARGE; CARBON; CAPACITY AB A high performance Li-S battery with novel fluoroether-based electrolyte was reported. The fluorinated electrolyte prevents the polysulfide shuttling effect and improves the Coulombic efficiency and capacity retention of the Li-S battery. Reversible redox reaction of the sulfur electrode in the presence of fluoroether TTE was systematically investigated. Electrochemical tests and post-test analysis using HPLC, XPS, and SEM/EDS were performed to examine the electrode and the electrolyte after cycling. The results demonstrate that TTE as a cosolvent mitigates polysulfide dissolution and promotes conversion kinetics from polysulfides to Li2S/Li2S2. Furthermore, TTE participates in a redox reaction on both electrodes, forming a solid electrolyte interphase (SEI) which further prevents parasitic reactions and thus improves the utilization of the active material. C1 [Azimi, Nasim; Xue, Zheng; Bloom, Ira; Zhang, Zhengcheng] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Gordin, Mikhail L.; Wang, Donghai] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Daniel, Tad; Takoudis, Christos] Univ Illinois, Dept Chem Engn & Bioengn, Res Resources Ctr, Chicago, IL 60607 USA. RP Zhang, ZC (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zzhang@anl.gov RI Wang, Donghai/L-1150-2013 OI Wang, Donghai/0000-0001-7261-8510 FU Vehicle Technologies Office, U.S. Department of Energy. Argonne, a U.S. Department of Energy laboratory [DE-AC02-06CH11357] FX This research is supported by the Vehicle Technologies Office, U.S. Department of Energy. Argonne, a U.S. Department of Energy laboratory, is operated by UChicago Argonne, LLC under contract DE-AC02-06CH11357. NR 52 TC 20 Z9 21 U1 14 U2 118 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD MAY 6 PY 2015 VL 7 IS 17 BP 9169 EP 9177 DI 10.1021/acsami.5b01412 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CH9EM UT WOS:000354338800028 PM 25866861 ER PT J AU Himmelberger, S Duong, DT Northrup, JE Rivnay, J Koch, FPV Beckingham, BS Stingelin, N Segalman, RA Mannsfeld, SCB Salleo, A AF Himmelberger, Scott Duong, Duc T. Northrup, John E. Rivnay, Jonathan Koch, Felix P. V. Beckingham, Bryan S. Stingelin, Natalie Segalman, Rachel A. Mannsfeld, Stefan C. B. Salleo, Alberto TI Role of Side-Chain Branching on Thin-Film Structure and Electronic Properties of Polythiophenes SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID X-RAY-DIFFRACTION; CHARGE-TRANSPORT; POLYMER SEMICONDUCTORS; REGIOREGULAR POLY(3-HEXYLTHIOPHENE); ORGANIC SEMICONDUCTORS; CONJUGATED POLYMERS; BUILDING-BLOCKS; HOLE MOBILITIES; SOLAR-CELLS; PERFORMANCE AB Side-chain engineering is increasingly being utilized as a technique to impact the structural order and enhance the electronic properties of semiconducting polymers. However, the correlations drawn between structural changes and the resulting charge transport properties are typically indirect and qualitative in nature. In the present work, a combination of grazing incidence X-ray diffraction and crystallographic refinement calculations is used to determine the precise molecular packing structure of two thiophene-based semiconducting polymers to study the impact of side-chain modifications. The optimized structures provide high-quality fits to the experimental data and demonstrate that in addition to a large difference in interchain spacing between the two materials, there exists a significant disparity in backbone orientation as well. The calculated structures are utilized in density functional theory calculations to determine the band structure of the two materials and are shown to exhibit a dramatic disparity in interchain dispersion which accounts for the large observed difference in charge carrier mobility. The techniques presented here are meant to be general and are therefore applicable to many other highly diffracting semicrystalline polymers. C1 [Himmelberger, Scott; Duong, Duc T.; Rivnay, Jonathan; Salleo, Alberto] Stanford Univ, Mat Sci & Engn, Stanford, CA 94305 USA. [Northrup, John E.] Xerox Corp, Palo Alto Res Ctr, Palo Alto, CA 94304 USA. [Koch, Felix P. V.] ETH, Dept Mat, CH-8093 Zurich, Switzerland. [Beckingham, Bryan S.; Segalman, Rachel A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Stingelin, Natalie] Univ London Imperial Coll Sci Technol & Med, Ctr Plast Elect, London SW7 2AZ, England. [Segalman, Rachel A.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Mannsfeld, Stefan C. B.] Tech Univ Dresden, Ctr Adv Elect Dresden, D-01062 Dresden, Germany. RP Himmelberger, S (reprint author), Stanford Univ, Mat Sci & Engn, Stanford, CA 94305 USA. EM stefan.mannsfeld@tu-dresden.de; asalleo@stanford.edu RI Stingelin, Natalie/D-6745-2016; OI Stingelin, Natalie/0000-0002-1414-4545; Beckingham, Bryan/0000-0003-4004-0755 FU National Science Foundation [DMR 1205752]; German Research Foundation (DFG) within the Cluster of Excellence "Center for Advancing Electronics Dresden"; AFOSR [FA9550-13-1-0106]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515] FX A.S. acknowledges funding from the National Science Foundation (Grant No. DMR 1205752). This work is partly supported by the German Research Foundation (DFG) within the Cluster of Excellence "Center for Advancing Electronics Dresden." The work at PARC (J.E.N.) was supported by the AFOSR under Grant No. FA9550-13-1-0106. Use of the Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. NR 52 TC 16 Z9 16 U1 11 U2 79 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAY 6 PY 2015 VL 25 IS 17 BP 2616 EP 2624 DI 10.1002/adfm.201500101 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 CH7FC UT WOS:000354200000015 ER PT J AU Sigala, PA Ruben, EA Liu, CW Piccoli, PMB Hohenstein, EG Martinez, TJ Schultz, AJ Herschlag, D AF Sigala, Paul A. Ruben, Eliza A. Liu, Corey W. Piccoli, Paula M. B. Hohenstein, Edward G. Martinez, Todd J. Schultz, Arthur J. Herschlag, Daniel TI Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID NUCLEAR-MAGNETIC-RESONANCE; ISOMERASE OXYANION HOLE; PROTON CHEMICAL-SHIFTS; ENZYMATIC CATALYSIS; KETOSTEROID ISOMERASE; ACTIVE-SITE; FRACTIONATION FACTORS; SUBSTITUTED PHENOLS; AQUEOUS-SOLUTION; ACETIC-ACID AB Hydrogen bonds profoundly influence the architecture and activity of biological macromolecules. Deep appreciation of hydrogen bond contributions to biomolecular function thus requires a detailed understanding of hydrogen bond structure and energetics and the relationship between these properties. Hydrogen bond formation energies (Delta G(f)) are enormously more favorable in aprotic solvents than in water, and two classes of contributing factors have been proposed to explain this energetic difference, focusing respectively on the isolated and hydrogen-bonded species: (I) water stabilizes the dissociated donor and acceptor groups much better than aprotic solvents, thereby reducing the driving force for hydrogen bond formation; and (II) water lengthens hydrogen bonds compared to aprotic environments, thereby decreasing the potential energy within the hydrogen bond. Each model has been proposed to provide a dominant contribution to Delta G(f), but incisive tests that distinguish the importance of these contributions are lacking. Here we directly test the structural basis of model II. Neutron crystallography, NMR spectroscopy, and quantum mechanical calculations demonstrate that O-H center dot center dot center dot O hydrogen bonds in crystals, chloroform, acetone, and water have nearly identical lengths and very similar potential energy surfaces despite Delta G(f) differences >8 kcal/mol across these solvents. These results rule out a substantial contribution from solvent-dependent differences in hydrogen bond structure and potential energy after association (model II) and thus support the conclusion that differences in hydrogen bond Delta G(f) are predominantly determined by solvent interactions with the dissociated groups (model I). These findings advance our understanding of universal hydrogen-bonding interactions and have important implications for biology and engineering. C1 [Sigala, Paul A.; Ruben, Eliza A.; Herschlag, Daniel] Stanford Univ, Dept Biochem, Stanford, CA 94305 USA. [Liu, Corey W.] Stanford Univ, Stanford Magnet Resonance Lab, Stanford, CA 94305 USA. [Hohenstein, Edward G.; Martinez, Todd J.; Herschlag, Daniel] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Piccoli, Paula M. B.; Schultz, Arthur J.] Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. RP Herschlag, D (reprint author), Stanford Univ, Dept Biochem, Stanford, CA 94305 USA. EM herschla@stanford.edu OI Sigala, Paul/0000-0002-3464-3042; Schultz, Arthur/0000-0003-3646-2269 FU NSF [MCB-1121778]; Burroughs Wellcome Fund Career Award at the Scientific Interface; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-06CH11357] FX We thank J. Schwans, M. Miller, and P. Almond for assistance with NMR sample preparation, neutron crystallography, and Xray crystallography, respectively. We thank J. Bowie, S. Benkovic, B. Cravatt, P. Kim, and C. Perrin for critical feedback on the manuscript. Funding was provided by NSF grant MCB-1121778 to D.H. P.A.S. is a recipient of a Burroughs Wellcome Fund Career Award at the Scientific Interface. Research at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division (Argonne Contract DE-AC02-06CH11357). NR 81 TC 6 Z9 6 U1 4 U2 39 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 6 PY 2015 VL 137 IS 17 BP 5730 EP 5740 DI 10.1021/ja512980h PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA CH9EJ UT WOS:000354338500017 PM 25871450 ER PT J AU Verma, P Vogiatzis, KD Planas, N Borycz, J Xiao, DJ Long, JR Gagliardi, L Truhlar, DG AF Verma, Pragya Vogiatzis, Konstantinos D. Planas, Nora Borycz, Joshua Xiao, Dianne J. Long, Jeffrey R. Gagliardi, Laura Truhlar, Donald G. TI Mechanism of Oxidation of Ethane to Ethanol at Iron(IV)-Oxo Sites in Magnesium-Diluted Fe-2(dobdc) SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID METAL-ORGANIC FRAMEWORK; H BOND ACTIVATION; HIGH-VALENT IRON; ALPHA-KETOGLUTARATE DIOXYGENASE; EXCHANGE-ENHANCED REACTIVITY; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; SPIN FE(IV) INTERMEDIATE; NONHEME FE-IV=O; WAVE BASIS-SET AB The catalytic properties of the metal organic framework Fe-2(dobdc), containing open Fe(II) sites, include hydroxylation of phenol by pure Fe-2(dobdc) and hydroxylation of ethane by its magnesium-diluted analogue, Fe0.1Mg1.9(dobdc). In earlier work, the latter reaction was proposed to occur through a redox mechanism involving the generation of an iron(IV)-oxo species, which is an intermediate that is also observed or postulated (depending on the case) in some heme and nonheme enzymes and their model complexes. In the present work, we present a detailed mechanism by which the catalytic material, Fe0.1Mg1.9(dobdc), activates the strong C-H bonds of ethane. Kohn-Sham density functional and multireference wave function calculations have been performed to characterize the electronic structure of key species. We show that the catalytic nonheme-Fe hydroxylation of the strong C-H bond of ethane proceeds by a quintet single-state sigma-attack pathway after the formation of highly reactive iron-oxo intermediate. The mechanistic pathway involves three key transition states, with the highest activation barrier for the transfer of oxygen from N2O to the Fe(II) center. The uncatalyzed reaction, where nitrous oxide directly oxidizes ethane to ethanol is found to have an activation barrier of 280 kJ/mol, in contrast to 82 kJ/mol for the slowest step in the iron(IV)-oxo catalytic mechanism. The energetics of the C-H bond activation steps of ethane and methane are also compared. Dehydrogenation and dissociation pathways that can compete with the formation of ethanol were shown to involve higher barriers than the hydroxylation pathway. C1 [Verma, Pragya; Vogiatzis, Konstantinos D.; Planas, Nora; Borycz, Joshua; Gagliardi, Laura; Truhlar, Donald G.] Univ Minnesota, Dept Chem, Chem Theory Ctr, Minneapolis, MN 55455 USA. [Verma, Pragya; Vogiatzis, Konstantinos D.; Planas, Nora; Borycz, Joshua; Gagliardi, Laura; Truhlar, Donald G.] Univ Minnesota, Supercomp Inst, Minneapolis, MN 55455 USA. [Xiao, Dianne J.; Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Long, Jeffrey R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Verma, Pragya; Vogiatzis, Konstantinos D.; Planas, Nora; Borycz, Joshua; Xiao, Dianne J.; Long, Jeffrey R.; Gagliardi, Laura; Truhlar, Donald G.] Univ Minnesota, Nanoporous Mat Genome Ctr, Minneapolis, MN 55455 USA. [Planas, Nora] Univ Wisconsin, Dept Chem, Eau Claire, WI 54702 USA. RP Gagliardi, L (reprint author), Univ Minnesota, Dept Chem, Chem Theory Ctr, Minneapolis, MN 55455 USA. EM gagliard@umn.edu; truhlar@umn.edu RI Truhlar, Donald/G-7076-2015 OI Truhlar, Donald/0000-0002-7742-7294 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-FG02-12ER16362]; Phillips 66 Fellowship for Excellence in Graduate Studies; Doctoral Dissertation Fellowship FX We thank Larry Que, Xuefei Xu, and Bo Wang for helpful discussions of this work. P.V. acknowledges a Phillips 66 Fellowship for Excellence in Graduate Studies and a Doctoral Dissertation Fellowship. This research was carried out within the Nanoporous Materials Genome Center, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences under award DE-FG02-12ER16362. NR 104 TC 18 Z9 18 U1 13 U2 93 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD MAY 6 PY 2015 VL 137 IS 17 BP 5770 EP 5781 DI 10.1021/jacs.5b00382 PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA CH9EJ UT WOS:000354338500021 PM 25882096 ER PT J AU Cantoni, C McGuire, MA Saparov, B May, AF Keiber, T Bridges, F Sefat, AS Sales, BC AF Cantoni, Claudia McGuire, Michael A. Saparov, Bayrammurad May, Andrew F. Keiber, Trevor Bridges, Frank Sefat, Athena S. Sales, Brian C. TI Room-Temperature Ba(Fe1-xCox)(2)As-2 is not Tetragonal: Direct Observation of Magnetoelastic Interactions in Pnictide Superconductors SO ADVANCED MATERIALS LA English DT Article ID MAGNETIC-BEHAVIOR; IRON; TRANSITION; MICROSCOPY; OCCUPANCY; CAFE2AS2; RATIO AB Lattice distortions corresponding to Ba displacements with respect to the FeAs sublattice are revealed to break the room-temperature tetragonal symmetry in Ba(Fe1-xCox)(2)As-2. The displacements yield twin domains of the size of approximate to 10 nm. The domain size correlates with the magnitude of the local Fe magnetic moment and its non-monotonic dependence on Co concentration. C1 [Cantoni, Claudia; McGuire, Michael A.; Saparov, Bayrammurad; May, Andrew F.; Sefat, Athena S.; Sales, Brian C.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Keiber, Trevor; Bridges, Frank] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. RP Cantoni, C (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM cantonic@ornl.gov RI McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Sefat, Athena/R-5457-2016 OI McGuire, Michael/0000-0003-1762-9406; May, Andrew/0000-0003-0777-8539; Sefat, Athena/0000-0002-5596-3504 FU Materials Sciences and Engineering Division Office of Basic Energy Sciences, US Department of Energy; ORNL's Center for Nanophase Materials Sciences (CNMS) - Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; NSF [DMR1005568] FX The authors acknowledge fruitful discussion with S. J. Pennycook, and E. Dagotto. The research was supported by the Materials Sciences and Engineering Division Office of Basic Energy Sciences, US Department of Energy. Part of the work was supported by ORNL's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. The EXAFS work is supported under NSF (Grant No. DMR1005568). The experiments were performed at the Stanford Synchrotron Radiation Light Source operated by the DOE Division of Chemical Sciences. NR 41 TC 1 Z9 1 U1 1 U2 21 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD MAY 6 PY 2015 VL 27 IS 17 BP 2715 EP + DI 10.1002/adma.201404079 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 CH7LD UT WOS:000354217000003 PM 25809406 ER PT J AU Brown, M Moore, L McMahon, B Powell, D LaBute, M Hyman, JM Rivas, A Jankowski, M Berendzen, J Loeppky, J Manore, C Fair, J AF Brown, Mac Moore, Leslie McMahon, Benjamin Powell, Dennis LaBute, Montiago Hyman, James M. Rivas, Ariel Jankowski, Mark Berendzen, Joel Loeppky, Jason Manore, Carrie Fair, Jeanne TI Constructing Rigorous and Broad Biosurveillance Networks for Detecting Emerging Zoonotic Outbreaks SO PLOS ONE LA English DT Article ID AVIAN INFLUENZA-VIRUS; A H5N1 VIRUS; RISK-FACTORS; POULTRY FLOCKS; NIGERIA; TRANSMISSION; EPIDEMIC; AFRICA; SPREAD; FARMS AB Determining optimal surveillance networks for an emerging pathogen is difficult since it is not known beforehand what the characteristics of a pathogen will be or where it will emerge. The resources for surveillance of infectious diseases in animals and wildlife are often limited and mathematical modeling can play a supporting role in examining a wide range of scenarios of pathogen spread. We demonstrate how a hierarchy of mathematical and statistical tools can be used in surveillance planning help guide successful surveillance and mitigation policies for a wide range of zoonotic pathogens. The model forecasts can help clarify the complexities of potential scenarios, and optimize biosurveillance programs for rapidly detecting infectious diseases. Using the highly pathogenic zoonotic H5N1 avian influenza 2006-2007 epidemic in Nigeria as an example, we determined the risk for infection for localized areas in an outbreak and designed biosurveillance stations that are effective for different pathogen strains and a range of possible outbreak locations. We created a general multi-scale, multi-host stochastic SEIR epidemiological network model, with both short and long-range movement, to simulate the spread of an infectious disease through Nigerian human, poultry, backyard duck, and wild bird populations. We chose parameter ranges specific to avian influenza (but not to a particular strain) and used a Latin hypercube sample experimental design to investigate epidemic predictions in a thousand simulations. We ranked the risk of local regions by the number of times they became infected in the ensemble of simulations. These spatial statistics were then complied into a potential risk map of infection. Finally, we validated the results with a known outbreak, using spatial analysis of all the simulation runs to show the progression matched closely with the observed location of the farms infected in the 2006-2007 epidemic. C1 [Brown, Mac] Univ Calif Santa Barbara, Dept Econ, Santa Barbara, CA 93111 USA. [Moore, Leslie] Los Alamos Natl Lab, Stat Sci, Los Alamos, NM 87545 USA. [McMahon, Benjamin] Los Alamos Natl Lab, Theoret Biol & Biophys, Los Alamos, NM 87545 USA. [Powell, Dennis] Los Alamos Natl Lab, Energy & Infrastruct Anal, Los Alamos, NM 87545 USA. [LaBute, Montiago] Lawrence Livermore Natl Lab, Computat Engn Div, Appl Stat Group, Livermore, CA 94550 USA. [Hyman, James M.] Tulane Univ, Dept Math, New Orleans, LA 70118 USA. [Rivas, Ariel] Univ New Mexico, Hlth Sci Ctr, Ctr Global Hlth, Albuquerque, NM 87131 USA. [Jankowski, Mark] Minnesota Pollut Control Agcy, Environm Anal & Outcomes Div, St Paul, MN 55155 USA. [Berendzen, Joel] Los Alamos Natl Lab, Appl Modern Phys, Los Alamos, NM 87545 USA. [Loeppky, Jason] Univ British Columbia, Kelowna, BC V1V 1V7, Canada. [Manore, Carrie] Tulane Univ, Ctr Computat Sci, New Orleans, LA 70118 USA. [Fair, Jeanne] Los Alamos Natl Lab, Environm Stewardship, Los Alamos, NM 87545 USA. RP Fair, J (reprint author), Los Alamos Natl Lab, Environm Stewardship, K404, Los Alamos, NM 87545 USA. EM jmfair@lanl.gov FU US Department of Energy [DE-AC52-06NA25396]; Los Alamos National Security, LLC FX This work was performed in part by Defense Threat Reduction Agency (DTRA) CBT-09-IST- 05-1-0092. All other funding was through Los Alamos National Security, LLC, operator of the Los Alamos National Laboratory (LANL) under Contract No. DE-AC52-06NA25396 with the US Department of Energy. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 53 TC 2 Z9 2 U1 3 U2 29 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 6 PY 2015 VL 10 IS 5 AR e0124037 DI 10.1371/journal.pone.0124037 PG 20 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH5BQ UT WOS:000354049700031 PM 25946164 ER PT J AU Shogan, BD Belogortseva, N Luong, PM Zaborin, A Lax, S Bethel, C Ward, M Muldoon, JP Singer, M An, G Umanskiy, K Konda, V Shakhsheer, B Luo, J Klabbers, R Hancock, LE Gilbert, J Zaborina, O Alverdy, JC AF Shogan, Benjamin D. Belogortseva, Natalia Luong, Preston M. Zaborin, Alexander Lax, Simon Bethel, Cindy Ward, Marc Muldoon, Joseph P. Singer, Mark An, Gary Umanskiy, Konstantin Konda, Vani Shakhsheer, Baddr Luo, James Klabbers, Robin Hancock, Lynn E. Gilbert, Jack Zaborina, Olga Alverdy, John C. TI Collagen degradation and MMP9 activation by Enterococcus faecalis contribute to intestinal anastomotic leak SO SCIENCE TRANSLATIONAL MEDICINE LA English DT Article ID POLYMERASE-CHAIN-REACTION; MATRIX METALLOPROTEINASES; COLORECTAL SURGERY; COLON ANASTOMOSIS; VIRULENCE FACTORS; CLOSTRIDIUM-PERFRINGENS; ANTIBIOTIC-PROPHYLAXIS; EXTRACELLULAR-MATRIX; SERINE-PROTEASE; GELATINASE AB Even under the most expert care, a properly constructed intestinal anastomosis can fail to heal, resulting in leakage of its contents, peritonitis, and sepsis. The cause of anastomotic leak remains unknown, and its incidence has not changed in decades. We demonstrate that the commensal bacterium Enterococcus faecalis contributes to the pathogenesis of anastomotic leak through its capacity to degrade collagen and to activate tissue matrix metalloproteinase 9 (MMP9) in host intestinal tissues. We demonstrate in rats that leaking anastomotic tissues were colonized by E. faecalis strains that showed an increased collagen-degrading activity and also an increased ability to activate host MMP9, both of which contributed to anastomotic leakage. We demonstrate that the E. faecalis genes gelE and sprE were required for E. faecalis-mediated MMP9 activation. Either elimination of E. faecalis strains through direct topical antibiotics applied to rat intestinal tissues or pharmacological suppression of intestinal MMP9 activation prevented anastomotic leak in rats. In contrast, the standard recommended intravenous antibiotics used in patients undergoing colorectal surgery did not eliminate E. faecalis at anastomotic tissues nor did they prevent leak in our rat model. Finally, we show in humans undergoing colon surgery and treated with the standard recommended intravenous antibiotics that their anastomotic tissues still contained E. faecalis and other bacterial strains with collagen-degrading/MMP9-activating activity. We suggest that intestinal microbes with the capacity to produce collagenases and to activate host metalloproteinase MMP9 may break down collagen in the intestinal tissue contributing to anastomotic leak. C1 [Shogan, Benjamin D.; Belogortseva, Natalia; Luong, Preston M.; Zaborin, Alexander; Lax, Simon; Bethel, Cindy; Ward, Marc; An, Gary; Umanskiy, Konstantin; Konda, Vani; Shakhsheer, Baddr; Luo, James; Klabbers, Robin; Gilbert, Jack; Zaborina, Olga; Alverdy, John C.] Univ Chicago, Pritzker Sch Med, Chicago, IL 60637 USA. [Muldoon, Joseph P.; Singer, Mark] NorthShore Univ HealthSyst, Evanston, IL 60201 USA. [Klabbers, Robin] Radboud Univ Nijmegen, Med Ctr, Dept Surg, NL-6525 ED Nijmegen, Netherlands. [Hancock, Lynn E.] Univ Kansas, Lawrence, KS 66045 USA. [Gilbert, Jack] Argonne Natl Lab, Argonne, IL 60439 USA. RP Alverdy, JC (reprint author), Univ Chicago, Pritzker Sch Med, Chicago, IL 60637 USA. EM jalverdy@surgery.bsd.uchicago.edu OI An, Gary/0000-0003-4549-9004 FU NIH Digestive Diseases Research Core Centers [P30 DK42086] FX This study was funded by a pilot and feasibility grant (J.C.A.) from the NIH Digestive Diseases Research Core Centers (P30 DK42086). NR 64 TC 8 Z9 8 U1 1 U2 5 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 1946-6234 EI 1946-6242 J9 SCI TRANSL MED JI Sci. Transl. Med. PD MAY 6 PY 2015 VL 7 IS 286 AR 286ra68 DI 10.1126/scitranslmed.3010658 PG 12 WC Cell Biology; Medicine, Research & Experimental SC Cell Biology; Research & Experimental Medicine GA CI0MP UT WOS:000354431600010 PM 25947163 ER PT J AU Schroder, FAYN Cole, JM Waddell, PG McKechnie, S AF Schroeder, Florian A. Y. N. Cole, Jacqueline M. Waddell, Paul G. McKechnie, Scott TI Transforming Benzophenoxazine Laser Dyes into Chromophores for Dye-Sensitized Solar Cells: A Molecular Engineering Approach SO ADVANCED ENERGY MATERIALS LA English DT Article ID OPTOELECTRONIC PROPERTIES; AB-INITIO; CHARGE-TRANSFER; ORGANIC-DYES; TIO2 FILMS; EFFICIENCY; ENERGY; DERIVATIVES; INTERFACES; ORIGINS AB The refunctionalization of a series of four well-known industrial laser dyes, based on benzophenoxazine, is explored with the prospect of molecularly engineering new chromophores for dye-sensitized solar cell (DSC) applications. Such engineering is important since a lack of suitable dyes is stifling the progress of DSC technology. The conceptual idea involves making laser dyes DSC-active by chemical modification, while maintaining their key property attributes that are attractive to DSC applications. This molecular engineering follows a stepwise approach. First, molecular structures and optical absorption properties are determined for the parent laser dyes: Cresyl Violet (1), Oxazine 170 (2), Nile Blue A (3), Oxazine 750 (4). These reveal structure-property relationships which define the prerequisites for computational molecular design of DSC dyes; the nature of their molecular architecture (D-pi-A) and intramolecular charge transfer. Second, new DSC dyes are computationally designed by the in silico addition of a carboxylic acid anchor at various chemical substitution points in the parent laser dyes. A comparison of the resulting frontier molecular orbital energy levels with the conduction band edge of a TiO2 DSC photoanode and the redox potential of two electrolyte options I-/I-3(-) and Co (II/III) tris(bipyridyl) suggests promise for these computationally designed dyes as co-sensitizers for DSC applications. C1 [Schroeder, Florian A. Y. N.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. [Cole, Jacqueline M.] Argonne Natl Lab, Argonne, IL 60439 USA. [Cole, Jacqueline M.] Univ Calif Davis, Int Inst Complex Adapt Matter, Davis, CA 95616 USA. [Waddell, Paul G.] Australian Nucl Sci & Technol Org, Lucas Heights, NSW 2234, Australia. RP Cole, JM (reprint author), Univ Cambridge, Cavendish Lab, JJ Thomson Ave, Cambridge CB3 0HE, England. EM jmc61@cam.ac.uk RI Cole, Jacqueline/C-5991-2008; Waddell, Paul/C-7059-2011; OI Schroder, Florian/0000-0002-9131-9003 FU DOE Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Bragg Institute at ANSTO; King's College, University of Cambridge, UK; EPSRC [EP/P505445/1] FX J.M.C. is indebted to the ICAM Branches Cost Sharing Fund, the Fulbright Commission for a UK-US Fulbright Scholar Award, and to Argonne National Laboratory where work done was supported by DOE Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The Bragg Institute at ANSTO is also gratefully acknowledged for funding (for P.G.W.). S.M. is grateful to King's College, University of Cambridge, UK, and the EPSRC (Grant No. EP/P505445/1) for Ph.D. funding. The authors thank the EPSRC UK National Service for Computational Chemistry Software (NSCCS) and acknowledge contributions from its staff in supporting this work. NR 43 TC 3 Z9 3 U1 2 U2 24 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD MAY 6 PY 2015 VL 5 IS 9 AR 1401728 DI 10.1002/aenm.201401728 PG 12 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA CH7MG UT WOS:000354220000002 ER PT J AU Schulz, P Whittaker-Brooks, LL MacLeod, BA Olson, DC Loo, YL Kahn, A AF Schulz, Philip Whittaker-Brooks, Luisa L. MacLeod, Bradley A. Olson, Dana C. Loo, Yueh-Lin Kahn, Antoine TI Electronic Level Alignment in Inverted Organometal Perovskite Solar Cells SO ADVANCED MATERIALS INTERFACES LA English DT Article ID LOW-COST; EFFICIENT; FILMS; ENERGY; LAYERS C1 [Schulz, Philip; Kahn, Antoine] Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA. [Whittaker-Brooks, Luisa L.; Loo, Yueh-Lin] Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08544 USA. [MacLeod, Bradley A.; Olson, Dana C.] Natl Renewable Energy Lab, Golden, CO USA. RP Schulz, P (reprint author), Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA. EM aphschulz@gmail.com; kahn@princeton.edu RI MacLeod, Bradley/F-5589-2013; Schulz, Philip/N-2295-2015 OI MacLeod, Bradley/0000-0001-5319-3051; Schulz, Philip/0000-0002-8177-0108 FU National Science Foundation [DMR-1005892]; Princeton Center for Complex Materials MRSEC [DMR-0819860]; L'Oreal USA for Women in Science postdoctoral fellowship; Center for Interface Science: Solar Electric Materials (CISSEM), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0001084] FX Work at Princeton University was supported by a grant of the National Science Foundation (Grant No. DMR-1005892) and the Princeton Center for Complex Materials MRSEC (Grant No. DMR-0819860), which also provided access to the PRISM Imaging and Analysis Center. L.L.W.-B. is supported by the L'Oreal USA for Women in Science postdoctoral fellowship. Work at NREL was supported as part of the Center for Interface Science: Solar Electric Materials (CISSEM), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award Number DE-SC0001084. NR 23 TC 19 Z9 19 U1 6 U2 73 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 2196-7350 J9 ADV MATER INTERFACES JI Adv. Mater. Interfaces PD MAY 6 PY 2015 VL 2 IS 7 AR 1400532 DI 10.1002/admi.201400532 PG 5 WC Chemistry, Multidisciplinary; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA CH7AT UT WOS:000354188700001 ER PT J AU Padmanath, M Edwards, RG Mathur, N Peardon, M AF Padmanath, M. Edwards, Robert G. Mathur, Nilmani Peardon, Michael CA Hadron Spectrum Collaboration TI Spectroscopy of doubly charmed baryons from lattice QCD SO PHYSICAL REVIEW D LA English DT Article ID 2 HEAVY QUARKS; MODEL; SPECTRUM; MESONS; MASSES AB We present the ground and excited state spectra of doubly charmed baryons from lattice QCD with dynamical quark fields. Calculations are performed on anisotropic lattices of size 16(3) x 128, with inverse spacing in temporal direction a(t)(-1) = 5.67(4) GeV and with a pion mass of about 390 MeV. A large set of baryonic operators that respect the symmetries of the lattice yet which retain a memory of their continuum analogues are used. These operators transform as irreducible representations of SU(3)(F) symmetry for flavor, SU(4) symmetry for Dirac spins of quarks and O(3) for spatial symmetry. The distillation method is utilized to generate baryon correlation functions which are analyzed using the variational fitting method to extract excited states. The lattice spectra obtained have baryonic states with well-defined total spins up to 7/2 and the pattern of low-lying states does not support the diquark picture for doubly charmed baryons. On the contrary the calculated spectra are remarkably similar to the expectations from models with an SU(6) x O(3) symmetry. Various spin-dependent energy splittings between the extracted states are also evaluated. C1 [Padmanath, M.] Graz Univ, Inst Phys, A-8010 Graz, Austria. [Edwards, Robert G.] Jefferson Lab, Newport News, VA 23606 USA. [Mathur, Nilmani] Tata Inst Fundamental Res, Dept Theoret Phys, Bombay 400005, Maharashtra, India. [Peardon, Michael] Trinity Coll Dublin, Sch Math, Dublin 2, Ireland. RP Padmanath, M (reprint author), Graz Univ, Inst Phys, A-8010 Graz, Austria. EM padmanath.madanagopalan@uni-graz.at; edwards@jlab.org; nilmani@theory.tifr.res.in; mjp@maths.tcd.ie OI Peardon, Michael/0000-0002-4199-6284 FU Science Foundation Ireland (SFI), at the SFI/HEA Irish Centre for High-End Computing (ICHEC); Jefferson Laboratory under the USQCD Initiative; LQCD ARRA project; U.S. Department of Energy INCITE program at the Oak Ridge Leadership Computing Facility at Oak Ridge National Laboratory; NSF Teragrid at the Texas Advanced Computer Center; Pittsburgh Supercomputer Center; Trinity College Dublin Indian Research Collaboration Initiative; Austrian Science Fund (FWF) [I1313-N27]; Department of Theoretical Physics, TIFR; U.S. Department of Energy [DE-AC05-06OR23177]; European Union [238353]; Graduate School Tata Institute of Fundamental Research Mumbai FX We thank our colleagues within the Hadron Spectrum Collaboration. Chroma [66] and QUDA [67,68] were used to perform this work on the Gaggle and Brood clusters of the Department of Theoretical Physics, Tata Institute of Fundamental Research, at Lonsdale cluster maintained by the Trinity Centre for High Performance Computing funded through grants from Science Foundation Ireland (SFI), at the SFI/HEA Irish Centre for High-End Computing (ICHEC), and at Jefferson Laboratory under the USQCD Initiative and the LQCD ARRA project. Gauge configurations were generated using resources awarded from the U.S. Department of Energy INCITE program at the Oak Ridge Leadership Computing Facility at Oak Ridge National Laboratory, the NSF Teragrid at the Texas Advanced Computer Center and the Pittsburgh Supercomputer Center, as well as at Jefferson Lab. M. Padmanath acknowledges support from the Trinity College Dublin Indian Research Collaboration Initiative, Graduate School Tata Institute of Fundamental Research Mumbai and Austrian Science Fund (FWF), Grant No. I1313-N27; N. M. acknowledges support from Department of Theoretical Physics, TIFR; R. G. E. acknowledges support from U.S. Department of Energy Contract No. DE-AC05-06OR23177, under which Jefferson Science Associates, LLC, manages and operates Jefferson Laboratory; M. Peardon acknowledges support from the European Union under Grant Agreement No. 238353 (ITN STRONGnet). NR 68 TC 14 Z9 14 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD MAY 6 PY 2015 VL 91 IS 9 AR 094502 DI 10.1103/PhysRevD.91.094502 PG 17 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CH3YJ UT WOS:000353966800003 ER PT J AU Mokhov, NV Rakhno, IL Tropin, IS Cerutti, F Esposito, LS Lechner, A AF Mokhov, N. V. Rakhno, I. L. Tropin, I. S. Cerutti, F. Esposito, L. S. Lechner, A. TI Energy deposition studies for the high-luminosity Large Hadron Collider inner triplet magnets SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article AB A detailed model of the high-luminosity LHC inner triplet region with new large-aperture Nb3Sn magnets, field maps, corrector packages, and segmented tungsten inner absorbers was built and implemented into the FLUKA and MARS15 codes. Detailed simulations have been performed coherently with the codes on the impact of particle debris from the 14-TeV center-of-mass pp-collisions on the short- and long-term stability of the inner triplet magnets. After optimizing the absorber configuration, the peak power density averaged over the magnet inner cable width is found to be safely below the quench limit at the luminosity of 5 x 10(34) cm(-2) s(-1). For the anticipated lifetime integrated luminosity of 3000 fb(-1), the peak dose calculated for the innermost magnet insulator ranges from 20 to 35 MGy, a figure close to the commonly accepted limit. Dynamic heat loads to the triplet magnet cold mass are calculated to evaluate the cryogenic capability. FLUKA and MARS results on energy deposition are in very good agreement. C1 [Mokhov, N. V.; Rakhno, I. L.; Tropin, I. S.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Cerutti, F.; Esposito, L. S.; Lechner, A.] CERN, CH-1211 Geneva, Switzerland. RP Mokhov, NV (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM mokhov@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; United States Department of Energy; High-Luminosity LHC Project FX This work was supported by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the United States Department of Energy and by the High-Luminosity LHC Project. NR 25 TC 0 Z9 0 U1 1 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD MAY 6 PY 2015 VL 18 IS 5 DI 10.1103/PhysRevSTAB.18.051001 PG 10 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA CH3ZM UT WOS:000353969900001 ER PT J AU Bornstein, AC Chapman, BJ Ghimire, NJ Mandrus, DG Parker, DS Lee, M AF Bornstein, Alexander C. Chapman, Benjamin J. Ghimire, Nirmal J. Mandrus, David G. Parker, David S. Lee, Minhyea TI Out-of-plane spin-orientation dependent magnetotransport properties in the anisotropic helimagnet Cr1/3NbS2 SO PHYSICAL REVIEW B LA English DT Article ID MAGNETOCRYSTALLINE ANISOTROPY; WEAK FERROMAGNETISM; MAGNETORESISTANCE; SKYRMIONS; MODEL AB Understanding the role of spin-orbit coupling (SOC) has been crucial for controlling magnetic anisotropy in magnetic multilayer films. It has been shown that electronic structure can be altered via interface SOC by varying the superlattice structure, resulting in spontaneous magnetization perpendicular or parallel to the plane. In lieu of magnetic thin films, we study the similarly anisotropic helimagnet Cr1/3NbS2 where the spin-polarization direction, controlled by the applied magnetic field, can modify the electronic structure. As a result, the direction of spin polarization can modulate the density of states and in turn affect the in-plane electrical conductivity. In Cr1/3NbS2, we found an enhancement of in-plane conductivity when the spin polarization is out-of-plane as compared to in-plane spin polarization. This is consistent with the increase in density of states near the Fermi energy at the same spin configuration, found from first-principles calculations. We also observe unusual field dependence of the Hall signal in the same temperature range. This is unlikely to originate from the noncollinear spin texture but rather further indicates strong dependence of electronic structure on spin orientation relative to the plane. C1 [Bornstein, Alexander C.; Chapman, Benjamin J.; Lee, Minhyea] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Ghimire, Nirmal J.; Mandrus, David G.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Ghimire, Nirmal J.; Mandrus, David G.; Parker, David S.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Mandrus, David G.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Bornstein, AC (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA. EM minhyea.lee@colorado.edu FU U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0006888]; ORNL by DOE, Office of Science BES, Materials Sciences and Engineering Division; Critical Materials Institute, an Energy Innovation Hub - U.S. DOE, Energy Efficiency and Renewable Energy, Advanced Manufacturing Office FX The authors thank J. G. Checkelsky, X. Fan, M. Hermele, and K. M. McElroy for enlightening discussions. This work at CU was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award No. DE-SC0006888, and at ORNL by DOE, Office of Science BES, Materials Sciences and Engineering Division. D.S.P. was supported by the Critical Materials Institute, an Energy Innovation Hub funded by the U.S. DOE, Energy Efficiency and Renewable Energy, Advanced Manufacturing Office. NR 31 TC 4 Z9 4 U1 5 U2 27 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 6 PY 2015 VL 91 IS 18 AR 184401 DI 10.1103/PhysRevB.91.184401 PG 6 WC Physics, Condensed Matter SC Physics GA CH3YC UT WOS:000353966100004 ER PT J AU Parsons, HT Heazlewood, JL AF Parsons, Harriet T. Heazlewood, Joshua L. TI Beyond the Western front: targeted proteomics and organelle abundance profiling SO FRONTIERS IN PLANT SCIENCE LA English DT Article DE multiple reaction monitoring (MRM); organelle abundance; immunoblotting; Arabidopsis; quantitative proteomics; proteomics ID PLANT PLASMA-MEMBRANE; ABSOLUTE QUANTIFICATION; MONOCLONAL-ANTIBODIES; ARABIDOPSIS-THALIANA; MASS-SPECTROMETRY; ELECTROPHORETIC TRANSFER; POLYACRYLAMIDE GELS; PROTEINS; MITOCHONDRIA; NITROCELLULOSE AB The application of westerns or immunoblotting techniques for assessing the composition, dynamics, and purity of protein extracts from plant material has become common practice. While the approach is reproducible, can be readily applied and is generally considered robust, the field of plant science suffers from a lack of antibody variety against plant proteins. The development of approaches that employ mass spectrometry to enable both relative and absolute quantification of many hundreds of proteins in a single sample from a single analysis provides a mechanism to overcome the expensive impediment in having to develop antibodies in plant science. We consider it an opportune moment to consider and better develop the adoption of multiple reaction monitoring (MRM)-based analyses in plant biochemistry. C1 [Parsons, Harriet T.] Univ Copenhagen, Dept Plant & Environm Sci, Sect Plant Glycobiol, Frederiksberg, Denmark. [Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Joint BioEnergy Inst, Berkeley, CA 94720 USA. [Heazlewood, Joshua L.] Univ Melbourne, Sch BioSci, Ctr Excellence Plant Cell Walls, Australian Res Council, Melbourne, Vic 3010, Australia. RP Heazlewood, JL (reprint author), Univ Melbourne, Sch BioSci, Ctr Excellence Plant Cell Walls, Australian Res Council, Swanston St, Melbourne, Vic 3010, Australia. EM joshua.heazlewood@unimelb.edu.au RI Heazlewood, Joshua/A-2554-2008; Parsons, Harriet/J-9094-2016 OI Heazlewood, Joshua/0000-0002-2080-3826; Parsons, Harriet/0000-0003-1666-9123 FU U. S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231]; Australian Research Council Future Fellowship [FT130101165]; Marie Curie Intra European Fellowship [FP7-PEOPLE-2011-IEF 301401] FX This work was supported by the U. S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the U. S. Department of Energy. JH is supported by an Australian Research Council Future Fellowship [FT130101165]. HP is supported by a Marie Curie Intra European Fellowship 2012 [FP7-PEOPLE-2011-IEF 301401]. NR 39 TC 0 Z9 0 U1 1 U2 17 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-462X J9 FRONT PLANT SCI JI Front. Plant Sci. PD MAY 5 PY 2015 VL 6 AR 301 DI 10.3389/fpls.2015.00301 PG 5 WC Plant Sciences SC Plant Sciences GA CL4CV UT WOS:000356901100001 PM 25999968 ER PT J AU Imam, S Schauble, S Brooks, AN Baliga, NS Price, ND AF Imam, Saheed Schaeuble, Sascha Brooks, Aaron N. Baliga, Nitin S. Price, Nathan D. TI Data-driven integration of genome-scale regulatory and metabolic network SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE metabolic networks; transcriptional networks; constraint-based modeling; network integration; flux balance analysis; signaling; regulation; metabolism ID ESCHERICHIA-COLI K-12; WHOLE-CELL SIMULATION; HIGH-THROUGHPUT; TRANSCRIPTIONAL REGULATION; SALMONELLA-TYPHIMURIUM; SIGNAL-TRANSDUCTION; PYRUVATE-KINASE; SYSTEMS BIOLOGY; GENE; MODELS AB Microbes are diverse and extremely versatile organisms that play vital roles in all ecological niches. Understanding and harnessing microbial systems will be key to the sustainability of our planet. One approach to improving our knowledge of microbial processes is through data-driven and mechanism-informed computational modeling. Individual models of biological networks (such as metabolism, transcription, and signaling) have played pivotal roles in driving microbial research through the years. These networks, however, are highly interconnected and function in concert a fact that has led to the development of a variety of approaches aimed at simulating the integrated functions of two or more network types. Though the task of integrating these different models is fraught with new challenges, the large amounts of high-throughput data sets being generated, and algorithms being developed, means that the time is at hand for concerted efforts to build integrated regulatory-metabolic networks in a data-driven fashion. In this perspective, we review current approaches for constructing integrated regulatory-metabolic models and outline new strategies for future development of these network models for any microbial system. C1 [Imam, Saheed; Schaeuble, Sascha; Brooks, Aaron N.; Baliga, Nitin S.; Price, Nathan D.] Inst Syst Biol, Seattle, WA 98109 USA. [Schaeuble, Sascha] Univ Jena, Language & Informat Engn Lab, Jena, Germany. [Baliga, Nitin S.] Univ Washington, Dept Biol, Seattle, WA 98195 USA. [Baliga, Nitin S.] Univ Washington, Dept Microbiol, Seattle, WA 98195 USA. [Baliga, Nitin S.] Univ Washington, Mol & Cellular Biol Program, Seattle, WA 98195 USA. [Baliga, Nitin S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Price, ND (reprint author), Inst Syst Biol, 401 Terry Ave N, Seattle, WA 98109 USA. EM nprice@systemsbiology.org FU DOE-ABY [DEEE0006315]; DOE ARPA-E program [DE-AR0000426]; NIH Center for Systems Biology [2P50 GM076547]; Camille Dreyfus Teacher-Scholar program; German Ministry for Research and Education [FKZ 0315581D] FX This work was funded in part by DOE-ABY (DEEE0006315) (NSB, NDP), DOE ARPA-E program (DE-AR0000426) (NDP), NIH Center for Systems Biology/2P50 GM076547 (NSB, NDP) and the Camille Dreyfus Teacher-Scholar program (NDP). We also acknowledge financial support from the German Ministry for Research and Education within the framework of the GerontoSys initiative (grant FKZ 0315581D) (SS). NR 96 TC 8 Z9 8 U1 3 U2 21 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD MAY 5 PY 2015 VL 6 AR 409 DI 10.3389/fmicb.2015.00409 PG 10 WC Microbiology SC Microbiology GA CI9SV UT WOS:000355111000001 PM 25999934 ER PT J AU Loutherback, K Chen, L Holman, HYN AF Loutherback, Kevin Chen, Liang Holman, Hoi-Ying N. TI Open-Channel Microfluidic Membrane Device for Long-Term FT-IR Spectromicroscopy of Live Adherent Cells SO ANALYTICAL CHEMISTRY LA English DT Article ID INFRARED MICROSPECTROSCOPY; LIVING CELLS; BIOLOGICAL-SYSTEMS; MICRO-SPECTROSCOPY; DIFFERENTIATION; ENVIRONMENT; PATHWAYS; TISSUE AB Spatially resolved infrared spectroscopy is a label-free and nondestructive analytical technique that can provide spatiotemporal information on functional groups in biomolecules of a sample by their characteristic vibrational modes. One difficulty in performing long-term FT-IR measurements on live cells is the competition between the strong IR absorption from water and the need to supply nutrients and remove waste. In this proof of principle study, we developed an open-channel membrane device that allows long-term continuous IR measurement of live, adherent mammalian cells. Composed of a gold-coated porous membrane between a feeding channel and a viewing chamber, it allows cells to be maintained on the upper membrane surface in a thin layer of fluid while media is replenished from the feeding channel below. Using this device, we monitored the spatiotemporal chemical changes in living colonies of PC12 cells under nerve growth factor (NGF) stimulation for up to 7 days using both conventional globar and high-resolution synchrotron radiation-based IR sources. We identified the primary chemical change cells undergo is an increase in glycogen that may be associated with secretion of glycoprotein to protect the cells from evaporative stress at the air-liquid interface. Analyzing the spectral maps with multivariate methods of hierarchical cluster analysis (HCA) and principal component analysis (PCA), we found that the cells at the boundary of the colony and in a localized region in the center of the colony tend to produce more glycogen and glycoprotein than cells located elsewhere in the colony and that the degree of spatial heterogeneity decreases with time. This method provides a promising approach for long-term live-cell spectromicroscopy on mammalian cell systems. C1 [Loutherback, Kevin; Chen, Liang; Holman, Hoi-Ying N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley Synchrotron Infrared Struct Biol BSISB P, Berkeley, CA 94720 USA. RP Holman, HYN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley Synchrotron Infrared Struct Biol BSISB P, Berkeley, CA 94720 USA. EM hyholman@lbl.gov RI Loutherback, Kevin/G-1957-2015; Holman, Hoi-Ying/N-8451-2014; Chen, Liang/F-3496-2011 OI Loutherback, Kevin/0000-0002-4020-5188; Holman, Hoi-Ying/0000-0002-7534-2625; FU U.S. Department of Energy, Office of Science, and Office of Biological and Environmental Research [DE-AC02-05CH11231]; Office of Science, and Office of Basic Energy Sciences [DE-AC02-05CH11231] FX This work was performed under the Berkeley Synchrotron Infrared Structural Biology (BSISB) Program funded by the U.S. Department of Energy, Office of Science, and Office of Biological and Environmental Research. The Advanced Light Source is supported by the Director, Office of Science, and Office of Basic Energy Sciences. Both were supported through Contract DE-AC02-05CH11231. NR 33 TC 6 Z9 6 U1 3 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 EI 1520-6882 J9 ANAL CHEM JI Anal. Chem. PD MAY 5 PY 2015 VL 87 IS 9 BP 4601 EP 4606 DI 10.1021/acs.analchem.5b00524 PG 6 WC Chemistry, Analytical SC Chemistry GA CH6NP UT WOS:000354153600004 PM 25886198 ER PT J AU Yang, JY Rubel, O Prabhat Mahoney, MW Bowen, BP AF Yang, Jiyan Ruebel, Oliver Prabhat Mahoney, Michael W. Bowen, Benjamin P. TI Identifying Important Ions and Positions in Mass Spectrometry Imaging Data Using CUR Matrix Decompositions SO ANALYTICAL CHEMISTRY LA English DT Article ID IDENTIFICATION; LOCALIZATION AB Mass spectrometry imaging enables label-free, high-resolution spatial mapping of the chemical composition of complex, biological samples. Typical experiments require selecting ions and/or positions from the images: ions for fragmentation studies to identify keystone compounds and positions for follow up validation measurements using microdissection or other orthogonal techniques. Unfortunately, with modern imaging machines, these must be selected from an overwhelming amount of raw data. Existing techniques to reduce the volume of data, the most popular of which are principle component analysis and non-negative matrix factorization, have the disadvantage that they return difficultto-interpret linear combinations of actual data elements. In this work, we show that CX and CUR matrix decompositions can be used directly to address this selection need. CX and CUR matrix decompositions use empirical statistical leverage scores of the input data to provide provably good low-rank approximations of the measured data that are expressed in terms of actual ions and actual positions, as opposed to difficult-to-interpret eigenions and eigenpositions. We show that this leads to effective prioritization of information for both ions and positions. In particular, important ions can be found either by using the leverage scores as a ranking function and using a deterministic greedy selection algorithm or by using the leverage scores as an importance sampling distribution and using a random sampling algorithm; however, selection of important positions from the original matrix performed significantly better when they were chosen with the random sampling algorithm. Also, we show that 20 ions or 40 locations can be used to reconstruct the original matrix to a tolerance of 17% error for a widely studied image of brain lipids; and we provide a scalable implementation of this method that is applicable for analysis of the raw data where there are often more than a million rows and/or columns, which is larger than SVD-based low-rank approximation methods can handle. These results introduce the concept of CX/CUR matrix factorizations to mass spectrometry imaging, describing their utility and illustrating principled algorithmic approaches to deal with the overwhelming amount of data generated by modern mass spectrometry imaging. C1 [Yang, Jiyan] Stanford Univ, Inst Computat & Math Engn, Stanford, CA 94305 USA. [Ruebel, Oliver; Prabhat] Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. [Mahoney, Michael W.] Univ Calif Berkeley, Int Comp Sci Inst, Berkeley, CA 94720 USA. [Mahoney, Michael W.] Univ Calif Berkeley, Dept Stat, Berkeley, CA 94720 USA. [Bowen, Benjamin P.] Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Bowen, BP (reprint author), Lawrence Berkeley Lab, Div Life Sci, One Cyclotron Rd, Berkeley, CA 94720 USA. EM bpbowen@lbl.gov FU Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Defense Advanced Research Projects Agency FX This work was supported by the Director, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This work used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Partial support for this work was provided by the Defense Advanced Research Projects Agency. NR 22 TC 3 Z9 3 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 EI 1520-6882 J9 ANAL CHEM JI Anal. Chem. PD MAY 5 PY 2015 VL 87 IS 9 BP 4658 EP 4666 DI 10.1021/ac5040264 PG 9 WC Chemistry, Analytical SC Chemistry GA CH6NP UT WOS:000354153600013 PM 25825055 ER PT J AU Hou, HM Chan, GCY Mao, XL Zorba, V Zheng, R Russo, RE AF Hou, Huaming Chan, George C. -Y. Mao, Xianglei Zorba, Vassilia Zheng, Ronger Russo, Richard E. TI Femtosecond Laser Ablation Molecular Isotopic Spectrometry for Zirconium Isotope Analysis SO ANALYTICAL CHEMISTRY LA English DT Article ID INDUCED BREAKDOWN SPECTROSCOPY; HIGH-RESOLUTION SPECTROSCOPY; REFRACTORY MOLECULES; LOW-TEMPERATURE; INDUCED PLASMAS; OXIDE; ZRO; SYSTEMS; RATIO; LIBS AB Laser ablation molecular isotopic spectrometry (LAMIS) for rapid isotopic analysis of zirconium at atmospheric pressure was studied with a femtosecond-laser system operated under high repetition rate (1 kHz) and low pulse energy (160 mu J). The temporal evolution of zirconium neutral-atomic and ionic lines, as well as zirconium oxide molecular bands, were studied. Six molecular bands, belonging to the d(3)Delta-a(3)Delta A (i.e., the alpha system) and E-1 Sigma(+),X-1 Sigma(+) transitions, were observed with appreciable isotopic shifts. The assignments of the isotopic bandheads were first based on theoretical predictions of the band origins and the associated isotopic shifts of various dipole-allowed ZrO electronic transitions, followed by an experimental confirmation with a Zr-94-enriched ZrO2 sample. In this work, the alpha(0,1) band from the d(3)Delta(3)-a(3)Delta(3) subsystem was utilized for Zr isotope analysis based on a compromise between the magnitude of isotopic shifts in emission wavelengths, emission strengths, signal-to-background ratios, and spectral interferences. The analysis was performed in a standardless calibration approach; the isotopic information was extracted from the experimentally measured molecular spectra through theoretical spectral fitting. The results demonstrate the feasibility to obtain isotopic information for a spectrally complicated element like zirconium, without the need to use isotopically labeled calibration standards. The availability of comprehensive molecular constants will further improve the analytical accuracy of this standardless calibration approach. C1 [Hou, Huaming; Chan, George C. -Y.; Mao, Xianglei; Zorba, Vassilia; Russo, Richard E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Hou, Huaming; Zheng, Ronger] Ocean Univ China, Qingdao 266100, Peoples R China. RP Russo, RE (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM rerusso@lbl.gov RI Zorba, Vassilia/C-4589-2015 FU U.S. Department of Energy, Office of Nuclear Nonproliferation at the Lawrence Berkeley National Laboratory [DEAC02-05CH112]; China Scholarship Council (CSC) FX The research was supported by the U.S. Department of Energy, Office of Nuclear Nonproliferation, under contract no. DEAC02-05CH112 at the Lawrence Berkeley National Laboratory. Huaming Hou acknowledges support from the China Scholarship Council (CSC). NR 50 TC 8 Z9 8 U1 5 U2 41 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 EI 1520-6882 J9 ANAL CHEM JI Anal. Chem. PD MAY 5 PY 2015 VL 87 IS 9 BP 4788 EP 4796 DI 10.1021/acs.analchem.5b00056 PG 9 WC Chemistry, Analytical SC Chemistry GA CH6NP UT WOS:000354153600030 PM 25821993 ER PT J AU Giang, A Stokes, LC Streets, DG Corbitt, ES Selin, NE AF Giang, Amanda Stokes, Leah C. Streets, David G. Corbitt, Elizabeth S. Selin, Noelle E. TI Impacts of the Minamata Convention on Mercury Emissions and Global Deposition from Coal-Fired Power Generation in Asia SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID ANTHROPOGENIC SOURCES; CLIMATE-CHANGE; METHYLMERCURY EXPOSURE; SOUTHEASTERN US; PLANT PLUMES; HUMAN HEALTH; CHINA; SPECIATION; MODEL; FISH AB We explore implications of the United Nations Minamata Convention on Mercury for emissions from Asian coal-fired power generation, and resulting changes to deposition worldwide by 2050. We use engineering analysis, document analysis, and interviews to construct plausible technology scenarios consistent with the Convention. We translate these scenarios into emissions projections for 2050, and use the GEOS-Chem model to calculate global mercury deposition. Where technology requirements in the Convention are flexibly defined, under a global energy and development scenario that relies heavily on coal, we project similar to 90 and 150 Mg.y(-1) of avoided power sector emissions for China and India, respectively, in 2050, compared to a scenario in which only current technologies are used. Benefits of this avoided emissions growth are primarily captured regionally, with projected changes in annual average gross deposition over China and India similar to 2 and 13 mu g.m(-2) lower, respectively, than the current technology case. Stricter, but technologically feasible, mercury control requirements in both countries could lead to a combined additional 170 Mg.y(-1) avoided emissions. Assuming only current technologies but a global transition away from coal avoids 6% and 36% more emissions than this strict technology scenario under heavy coal use for China and India, respectively. C1 [Giang, Amanda; Selin, Noelle E.] MIT, Engn Syst Div, Cambridge, MA 02139 USA. [Stokes, Leah C.] MIT, Dept Urban Studies & Planning, Cambridge, MA 02139 USA. [Stokes, Leah C.] MIT, Dept Polit Sci, Cambridge, MA 02139 USA. [Streets, David G.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Corbitt, Elizabeth S.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. [Selin, Noelle E.] MIT, Dept Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA. RP Giang, A (reprint author), MIT, Engn Syst Div, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM agiang@mit.edu RI Selin, Noelle/A-4158-2008; Chem, GEOS/C-5595-2014 OI Selin, Noelle/0000-0002-6396-5622; FU NSF [1053648, 1313755]; MIT SSRC Stokes Fellowship; MIT J.H. and E.V. Wade fund FX Funding was provided by the NSF Atmospheric Chemistry (no. 1053648), and Dynamics of Coupled Natural and Human Systems (no. 1313755) programs, the MIT SSRC Stokes Fellowship, and the MIT J.H. and E.V. Wade fund. We thank all interviewees for sharing their time and insights, and Rebecca Silverman (MIT) for interview transcriptions. NR 78 TC 8 Z9 8 U1 10 U2 51 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD MAY 5 PY 2015 VL 49 IS 9 BP 5326 EP 5335 DI 10.1021/acs.est.5b00074 PG 10 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA CH6OL UT WOS:000354155800011 PM 25851589 ER PT J AU Zhao, LD Dong, HL Kukkadapu, RK Zeng, Q Edelmann, RE Pentrak, M Agrawal, A AF Zhao, Linduo Dong, Hailiang Kukkadapu, Ravi K. Zeng, Qiang Edelmann, Richard E. Pentrak, Martin Agrawal, Abinash TI Biological Redox Cycling of Iron in Nontronite and Its Potential Application in Nitrate Removal SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID MICROBIAL REDUCTION; ILLITE REACTION; ANAEROBIC BIOOXIDATION; ORGANIC-MATTER; HUMIC ACIDS; SMECTITE; FE(III); BACTERIA; MOSSBAUER; OXIDATION AB Biological redox cycling of structural Fe in phyllosilicates is an important but poorly understood process. The objective of this research was to study microbially mediated redox cycles of Fe in nontronite (NAu-2). During the reduction phase, structural Fe(III) in NAu-2 served as electron acceptor, lactate as electron donor, AQDS as electron shuttle, and dissimilatory Fe(III)-reducing bacterium Shewanella putrefaciens CN32 as mediator in bicarbonate- and PIPES-buffered media. During the oxidation phase, biogenic Fe(II) served as electron donor and nitrate as electron acceptor. Nitrate-dependent Fe(II)-oxidizing bacterium Pseudogulbenkiania sp. strain 2002 was added as mediator in the same media. For all three cycles, structural Fe in NAu-2 was able to reversibly undergo three redox cycles without significant dissolution. Fe(II) in bioreduced samples occurred in two distinct environments, at edges and in the interior of the NAu-2 structure. Nitrate reduction to nitrogen gas was coupled with oxidation of edge-Fe(II) and part of interior-Fe(II) under both buffer conditions, and its extent and rate did not change with Fe redox cycles. These results suggest that biological redox cycling of structural Fe in phyllosilicates is a reversible process and has important implications for biogeochemical cycles of carbon, nitrogen, and other nutrients in natural environments. C1 [Zhao, Linduo; Dong, Hailiang] Miami Univ, Dept Geol & Environm Earth Sci, Oxford, OH 45056 USA. [Edelmann, Richard E.] Miami Univ, Ctr Adv Microscopy & Imaging, Oxford, OH 45056 USA. [Dong, Hailiang; Zeng, Qiang] China Univ Geosci, State Key Lab Biogeol & Environm Geol, Geomicrobiol Lab, Beijing 100083, Peoples R China. [Kukkadapu, Ravi K.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. [Pentrak, Martin] Univ Illinois, Dept Nat Resources & Environm Sci, Urbana, IL 61801 USA. [Agrawal, Abinash] Wright State Univ, Dept Earth & Environm Sci, Dayton, OH 45435 USA. RP Dong, HL (reprint author), Miami Univ, Dept Geol & Environm Earth Sci, Oxford, OH 45056 USA. EM dongh@miamioh.edu FU National Science Foundation (NSF) [EAR 1148039]; Department of Energy's Office of Biological and Environmental Research; NSF [EAR-0722807] FX The work was supported by a grant from National Science Foundation (NSF) (EAR 1148039). A portion of the research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory. The JEOL 2100 TEM used in this study was supported by NSF Grant No. EAR-0722807. We are grateful to the associate Editor and three anonymous reviewers whose comments significantly improved the quality of the manuscript. NR 56 TC 12 Z9 12 U1 13 U2 94 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD MAY 5 PY 2015 VL 49 IS 9 BP 5493 EP 5501 DI 10.1021/acs.est.5b00131 PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA CH6OL UT WOS:000354155800030 PM 25873540 ER PT J AU Du, ZY Fang, DL Wang, ZY Du, G Yang, X Yang, H Gu, GD Wen, HH AF Du Zeng-Yi Fang De-Long Wang Zhen-Yu Du Guan Yang Xiong Yang Huan Gu Gen-Da Wen Hai-Hu TI Investigation of scanning tunneling spectra on iron-based superconductor FeSe0.5Te0.5 SO ACTA PHYSICA SINICA LA Chinese DT Article DE iron-based superconductor; scanning tunneling spectrum; unconventional superconductivity ID WAVE AB FeSe0.5Te0.5 single crystals with superconducting critical temperature of 13.5 K are investigated by scanning tunneling microscopy/spectroscopy (STM/STS) measurements in detail. STM image on the top surface shows an atomically resolved square lattice consisted by white and dark spots with a constant of about 3.73 +/- 0.03 angstrom which is consistent with the lattice constant 3.78 angstrom. The Se and Te atoms with a height difference of about 0.35 angstrom are successfully identified since the sizes of the two kinds of atoms are different. The tunneling spectra show very large zero-bias conductance value and asymmetric coherent peaks in the superconducting state. According to the positions of coherence peaks, we determine the superconducting gap 2 Delta = 5.5 meV, and the reduced gap 2 Delta/k(B)T(c) = 4.9 is larger than the value predicted by the weak-coupling BCS theory. The zero-bias conductance at 1.7 K only have a decrease of about 40% compared with the normal state conductance, which may originate from some scattering and broadening mechanism in the material. This broadening effect will also make the superconducting gap determined by the distance between the coherence peaks larger than the exact gap value. The asymmetric structure of the tunneling spectra near the superconducting gap is induced by the hump on the background. This hump appears at temperature more than twice the superconducting critical temperature. This kind of hump has also been observed in other iron pnictides and needs further investigation. A possible bosonic mode outside the coherence peak with a mode energy O of about 5.5 meV is observed in some tunneling spectra, and the ratio between the mode energy and superconducting transition temperature Omega/k(B)T(c) approximate to 4.7 is roughly consistent with the universal ratio 4.3 in iron-based superconductors. The high-energy background of the spectra beyond the superconducting gaps shows a V-shape feature. The slopes of the differential conductance spectra at high energy are very different in the areas of Te-atom cluster and Se-atom cluster, and the difference extends to the energy of more than 300 meV. The differential conductance mapping has very little information about the quasi-particle interference of the superconducting state, which may result from the other strong scattering mechanism in the sample. C1 [Du Zeng-Yi; Fang De-Long; Du Guan; Yang Xiong; Yang Huan; Wen Hai-Hu] Nanjing Univ, Sch Phys, Ctr Superconducting Phys & Mat, Nanjing 210093, Jiangsu, Peoples R China. [Wang Zhen-Yu] Chinese Acad Sci, Inst Phys, Natl Lab Superconduct, Beijing 100190, Peoples R China. [Gu Gen-Da] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Yang, H (reprint author), Nanjing Univ, Sch Phys, Ctr Superconducting Phys & Mat, Nanjing 210093, Jiangsu, Peoples R China. EM huanyang@nju.edu.cn; hhwen@nju.edu.cn FU State Key Development Program for Basic Research of China [2011CBA00102]; National Natural Science Foundation of China [11374144]; Office of Basic Energy Sciences, Division of Materials Science and Engineering, U.S. Department of Energy [DE-AC02-98CH10886] FX Project supported by the State Key Development Program for Basic Research of China (Grant No. 2011CBA00102), the National Natural Science Foundation of China (Grant No. 11374144). Work at Brookhaven National Laboratory was supported by the Office of Basic Energy Sciences, Division of Materials Science and Engineering, U.S. Department of Energy, under Contract DE-AC02-98CH10886. NR 33 TC 0 Z9 0 U1 5 U2 18 PU CHINESE PHYSICAL SOC PI BEIJING PA P O BOX 603, BEIJING 100080, PEOPLES R CHINA SN 1000-3290 J9 ACTA PHYS SIN-CH ED JI Acta Phys. Sin. PD MAY 5 PY 2015 VL 64 IS 9 SI SI AR 097401 DI 10.7498/aps.64.097401 PG 7 WC Physics, Multidisciplinary SC Physics GA CI2VL UT WOS:000354605400045 ER PT J AU Sue, ACH Mannige, RV Deng, HX Cao, D Wang, C Gandara, F Stoddart, JF Whitelam, S Yaghi, OM AF Sue, Andrew C. -H. Mannige, Ranjan V. Deng, Hexiang Cao, Dennis Wang, Cheng Gandara, Felipe Stoddart, J. Fraser Whitelam, Stephen Yaghi, Omar M. TI Heterogeneity of functional groups in a metal-organic framework displays magic number ratios SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE metal-organic framework; out of equilibrium; polycrystalline; Monte Carlo simulation ID DESIGN; SERIES; NETS AB Multiple organic functionalities can now be apportioned into nanoscale domains within a metal-coordinated framework, posing the following question: how do we control the resulting combination of "heterogeneity and order"? Here, we report the creation of a metal-organic framework, MOF-2000, whose two component types are incorporated in a 2:1 ratio, even when the ratio of component types in the starting solution is varied by an order of magnitude. Statistical mechanical modeling suggests that this robust 2:1 ratio has a nonequilibrium origin, resulting from kinetic trapping of component types during framework growth. Our simulations show how other "magic number" ratios of components can be obtained by modulating the topology of a framework and the noncovalent interactions between component types, a finding that may aid the rational design of functional multicomponent materials. C1 [Sue, Andrew C. -H.; Deng, Hexiang; Gandara, Felipe; Yaghi, Omar M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Sue, Andrew C. -H.; Deng, Hexiang; Gandara, Felipe; Yaghi, Omar M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Sue, Andrew C. -H.; Cao, Dennis; Wang, Cheng; Stoddart, J. Fraser] Northwestern Univ, Dept Chem, Evanston, IL 60201 USA. [Mannige, Ranjan V.; Whitelam, Stephen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Yaghi, Omar M.] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. RP Stoddart, JF (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60201 USA. EM stoddart@northwestern.edu; SWhitelam@lbl.gov; yaghi@berkeley.edu RI Gandara, Felipe/B-9198-2013; Sue, Andrew/K-1641-2015; Foundry, Molecular/G-9968-2014; Wang, Cheng/S-2641-2016; OI Gandara, Felipe/0000-0002-1671-6260; Wang, Cheng/0000-0003-0326-2674; Yaghi, Omar/0000-0002-5611-3325 FU National Center for Research Resources [5P41RR015301-10]; National Institute of General Medical Sciences from National Institutes of Health [P41 GM103403]; US Department of Energy [DE-AC02-06CH11357]; Office of Science, Office of Basic Energy Sciences of the US Department of Energy [DE-AC02-05CH11231]; Office of Science of the US Department of Energy [DE-AC02-05CH11231]; Non-Equilibrium Energy Research Center, an Energy Frontiers Research Center - US Department of Energy, Office of Science, Office of Basic Energy Science [DE-SC000989]; NU [34-949]; KACST; NU; National Science Foundation; Ryan Fellowship; NU International Institute for Nanotechnology FX A.C.-H.S. acknowledges T.-Y. Chen at University of California, Los Angeles (UCLA) for discussions on graph theory and initial theoretical modeling. A.C.-H.S. and H.D. acknowledge B. Kahr and A. Shtukenberg at New York University for crystal optics measurement and discussion. A.C.-H.S., H.D., and F.G. thank D. Cascio at UCLA and S. Teat at Advanced Light Source (ALS), Lawrence Berkeley National Laboratory (LBNL) for help on synchrotron experiments. We thank M. Capel, K. Rajashankar, N. Sukumar, J. Schuermann, I. Kourinov, and F. Murphy at Northeastern Collaborative Access Team beamlines 24-ID at Advanced Photon Source (APS) of Argonne National Laboratory, which are supported by grants from the National Center for Research Resources (5P41RR015301-10) and the National Institute of General Medical Sciences (P41 GM103403) from the National Institutes of Health. Use of the APS is supported by US Department of Energy under Contract DE-AC02-06CH11357. ALS is supported by the Director, Office of Science, Office of Basic Energy Sciences of the US Department of Energy under Contract DE-AC02-05CH11231. This work used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US Department of Energy under Contract DE-AC02-05CH11231. The research at Northwestern University (NU) by A.C.-H.S., D.C., and C.W., which was supported by the Non-Equilibrium Energy Research Center, an Energy Frontiers Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Science, under Award DE-SC000989, is part of the Joint Center of Excellence in Integrated Nanosystems at King Abdul-Aziz City for Science and Technology (KACST) and NU (Project 34-949). We thank both KACST and NU for their continued support of this research. D.C. acknowledges the National Science Foundation for a Graduate Research Fellowship. D.C. also gratefully acknowledges support from the Ryan Fellowship and the NU International Institute for Nanotechnology. S.W. and R.V.M. performed work at the Molecular Foundry at LBNL, supported by the Office of Science, Office of Basic Energy Sciences of the US Department of Energy under Contract DE-AC02-05CH11231. NR 29 TC 11 Z9 11 U1 11 U2 98 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 5 PY 2015 VL 112 IS 18 BP 5591 EP 5596 DI 10.1073/pnas.1416417112 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH3TS UT WOS:000353953800035 PM 25901326 ER PT J AU Michalczyk, R Unkefer, CJ Bacik, JP Schrader, TE Ostermann, A Kovalevsky, AY McKenna, R Fisher, SZ AF Michalczyk, Ryszard Unkefer, Clifford J. Bacik, John-Paul Schrader, Tobias E. Ostermann, Andreas Kovalevsky, Andrey Y. McKenna, Robert Fisher, Suzanne Zoe TI Joint neutron crystallographic and NMR solution studies of Tyr residue ionization and hydrogen bonding: Implications for enzyme-mediated proton transfer SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE proton transfer; neutron crystallography; perturbed pKa; solution NMR ID CARBONIC-ANHYDRASE-II; NUCLEAR-MAGNETIC-RESONANCE; ACTIVE-SITE; CATALYTIC MECHANISM; IONIZABLE GROUPS; PK VALUES; PROTEINS; WATER; C-13; HISTIDINE-64 AB Human carbonic anhydrase II (HCA II) uses a Zn-bound OH-/H2O mechanism to catalyze the reversible hydration of CO2. This catalysis also involves a separate proton transfer step, mediated by an ordered solvent network coordinated by hydrophilic residues. One of these residues, Tyr7, was previously shown to be deprotonated in the neutron crystal structure at pH 10. This observation indicated that Tyr7 has a perturbed pK(a) compared with free tyrosine. To further probe the pK(a) of this residue, NMR spectroscopic measurements of [C-13] Tyr-labeled holo HCA II (with active-site Zn present) were preformed to titrate all Tyr residues between pH 5.4-11.0. In addition, neutron studies of apo HCA II (with Zn removed from the active site) at pH 7.5 and holo HCA II at pH 6 were conducted. This detailed interrogation of tyrosines in HCA II by NMR and neutron crystallography revealed a significantly lowered pK(a) of Tyr7 and how pH and Tyr proximity to Zn affect hydrogen-bonding interactions. C1 [Michalczyk, Ryszard; Unkefer, Clifford J.; Bacik, John-Paul; Fisher, Suzanne Zoe] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Schrader, Tobias E.] Forschungszentrum Julich, Julich Ctr Neutron Sci, Heinz Maier Leibnitz Zentrum MLZ, D-85747 Garching, Germany. [Ostermann, Andreas] Tech Univ Munich, Heinz Maier Leibnitz Zentrum MLZ, D-85748 Garching, Germany. [Kovalevsky, Andrey Y.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [McKenna, Robert] Univ Florida, Dept Biochem & Mol Biol, Gainesville, FL 32610 USA. RP Fisher, SZ (reprint author), European Spallat Source, Sci Directorate, Sci Act Div, S-22100 Lund, Sweden. EM zoe.fisher@esss.se OI Kovalevsky, Andrey/0000-0003-4459-9142; Michalczyk, Ryszard/0000-0001-8839-6473 FU Protein Crystallography Station from the Department of Energy Office of Biological and Environmental Research; LANL [20110535ER] FX We thank Pete Silks for providing the labeled Tyr used in some of the labeling experiments and Esko Oksanen for useful discussions. R.M. and S.Z.F. thank Los Alamos National Laboratory (LANL) Principal Associate Directorate for Science, Technology, and Engineering for investing in key equipment that enabled many of the measurements reported here. We also thank Dr. Virginia A. Unkefer for help with editing the manuscript. S.Z.F., J.-P.B., and C.J.U. were partially funded through the Protein Crystallography Station from the Department of Energy Office of Biological and Environmental Research. S.Z.F. and R.M. were also funded through LANL Early Career Grant 20110535ER. NR 31 TC 5 Z9 5 U1 2 U2 21 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD MAY 5 PY 2015 VL 112 IS 18 BP 5673 EP 5678 DI 10.1073/pnas.1502255112 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH3TS UT WOS:000353953800049 PM 25902526 ER PT J AU Kofinger, J Ragusa, MJ Lee, IH Hummer, G Hurley, JH AF Koefinger, Juergen Ragusa, Michael J. Lee, Il-Hyung Hummer, Gerhard Hurley, James H. TI Solution Structure of the Atg1 Complex: Implications for the Architecture of the Phagophore Assembly Site SO STRUCTURE LA English DT Article ID PRE-AUTOPHAGOSOMAL STRUCTURE; X-RAY-SCATTERING; CELLULAR SELF-DIGESTION; KINASE COMPLEX; EARLY STEPS; BIOGENESIS; PROTEINS; ORGANIZATION; MEMBRANE; DISEASE AB The biogenesis of autophagosomes commences at the phagophore assembly site (PAS), a protein-vesicle ultrastructure that is organized by the Atg1 complex. The Atg1 complex consists of the Atg1 protein kinase, the intrinsically disordered region-rich Atg13, and the dimeric double crescent-shaped Atg17-Atg31-Atg29 subcomplex. We show that the PAS contains a relatively uniform similar to 28 copies of Atg17, and upon autophagy induction, similar numbers of Atg1 and Atg13 molecules. We then apply ensemble refinement of small-angle X-ray scattering to determine the solution structures of the Atg1-Atg13 and Atg17-Atg31-Atg29 subcomplexes and the Atg1 complex, using a trimmed minipentamer tractable to biophysical studies. We observe tetramers of Atg1 pentamers that assemble via Atg17-Atg31-Atg29. This leads to a model for the higher organization of the Atg1 complex in PAS scaffolding. C1 [Koefinger, Juergen; Hummer, Gerhard] Max Planck Inst Biophys, Dept Theoret Biophys, D-60438 Frankfurt, Germany. [Ragusa, Michael J.; Lee, Il-Hyung; Hurley, James H.] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Hurley, James H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Kofinger, J (reprint author), Max Planck Inst Biophys, Dept Theoret Biophys, Max Von Laue Str 3, D-60438 Frankfurt, Germany. EM jimhurley@berkeley.edu; juergen.koefinger@biophys.mpg.de RI Hummer, Gerhard/A-2546-2013 OI Hummer, Gerhard/0000-0001-7768-746X FU NIH [GM111730, GM105404]; Ruth Kirschtein NRSA Fellowship [GM099319]; Max Planck Society; DOE Office of Biological and Environmental Research FX We thank Greg Hura for help with SAXS data collection and interpretation and Jason Brickner and Will Prinz for yeast strains. This work was supported by the NIH GM111730 (J.H.H), Ruth Kirschtein NRSA Fellowship GM099319 (M.J.R.), and the Max Planck Society (J.K., G.H.). This work was conducted in part at the Advanced Light Source (ALS), a national user facility operated by Lawrence Berkeley National Laboratory on behalf of the Department of Energy, Office of Basic Energy Sciences, through the Integrated Diffraction Analysis Technologies (IDAT) program, supported by DOE Office of Biological and Environmental Research and NIH grant GM105404. NR 37 TC 13 Z9 13 U1 1 U2 14 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0969-2126 EI 1878-4186 J9 STRUCTURE JI Structure PD MAY 5 PY 2015 VL 23 IS 5 BP 809 EP 818 DI 10.1016/j.str.2015.02.012 PG 10 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA CH4TD UT WOS:000354024900005 PM 25817386 ER PT J AU Banerjee, A Tsai, CL Chaudhury, P Tripp, P Arvai, AS Ishida, JP Tainer, JA Albers, SV AF Banerjee, Ankan Tsai, Chi-Lin Chaudhury, Paushali Tripp, Patrick Arvai, Andrew S. Ishida, Justin P. Tainer, John A. Albers, Sonja-Verena TI FlaF Is a beta-Sandwich Protein that Anchors the Archaellum in the Archaeal Cell Envelope by Binding the S-Layer Protein SO STRUCTURE LA English DT Article ID SULFOLOBUS-ACIDOCALDARIUS; IV PILUS; FLAGELLAR MOTOR; X-RAY; MOTILITY STRUCTURE; SIGNAL PEPTIDES; INSIGHTS; RESOLUTION; SYSTEM; PILIN AB Archaea employ the archaellum, a type IV pilus-like nanomachine, for swimming motility. In the crenarchaeon Sulfolobus acidocaldarius, the archaellum consists of seven proteins: FlaB/X/G/F/H/I/J. FlaF is conserved and essential for archaellum assembly but no FlaF structures exist. Here, we truncated the FlaF N terminus and solved 1.5-angstrom and 1.65-angstrom resolution crystal structures of this monotopic membrane protein. Structures revealed an N-terminal alpha-helix and an eight-strand beta-sandwich, immunoglobulin-like fold with striking similarity to S-layer proteins. Crystal structures, X-ray scattering, and mutational analyses suggest dimer assembly is needed for in vivo function. The sole cell envelope component of S. acidocaldarius is a paracrystalline S-layer, and FlaF specifically bound to S-layer protein, suggesting that its interaction domain is located in the pseudoperiplasm with its N-terminal helix in the membrane. From these data, FlaF may act as the previously unknown archaellum stator protein that anchors the rotating archaellum to the archaeal cell envelope. C1 [Banerjee, Ankan; Chaudhury, Paushali; Tripp, Patrick; Albers, Sonja-Verena] Max Planck Inst Terr Microbiol, Mol Biol Archaea, D-35043 Marburg, Germany. [Tsai, Chi-Lin; Ishida, Justin P.; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Arvai, Andrew S.; Tainer, John A.] Univ Texas MD Anderson Canc Ctr, Dept Mol & Cellular Oncol, Houston, TX 77030 USA. [Chaudhury, Paushali; Tripp, Patrick; Albers, Sonja-Verena] Univ Freiburg, Inst Biol, Mol Biol Archaea, D-79211 Freiburg, Germany. RP Tainer, JA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. EM jatainer@lbl.gov; sonja.albers@biologie.uni-freiburg.de RI Banerjee, Ankan/A-5520-2016; OI Banerjee, Ankan/0000-0002-1791-252X; Tsai, Chi-Lin/0000-0002-0365-2405 FU Max Planck Society; ERC [311523]; NIH [AI22160, GM105404]; United States Department of Energy FX A.B., P.T., P.C., and S.V.A. were supported by intramural funds from the Max Planck Society and an ERC starting grant, ARCHAELLUM (no. 311523). We thank the Lawrence Berkeley National Laboratory Advanced Light Source and SIBYLS beamline staff, Scott Classen and Greg Hura, at 12.3.1 for assistance. This study was supported in part by NIH grant AI22160 to J.A.T. The SIBYLS beamline (BL12.3.1) is supported by the United States Department of Energy program (IDAT) and by NIH MINOS grant GM105404. NR 67 TC 8 Z9 8 U1 1 U2 6 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0969-2126 EI 1878-4186 J9 STRUCTURE JI Structure PD MAY 5 PY 2015 VL 23 IS 5 BP 863 EP 872 DI 10.1016/j.str.2015.03.001 PG 10 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA CH4TD UT WOS:000354024900010 PM 25865246 ER PT J AU Degrande, C Fuks, B Hirschi, V Proudom, J Shao, HS AF Degrande, Celine Fuks, Benjamin Hirschi, Valentin Proudom, Josselin Shao, Hua-Sheng TI Automated next-to-leading order predictions for new physics at the LHC: The case of colored scalar pair production SO PHYSICAL REVIEW D LA English DT Article ID SUPERSYMMETRY; PHENOMENOLOGY; AMPLITUDES; LEVEL AB We present for the first time the full automation of collider predictions matched with parton showers at the next-to-leading accuracy in QCD within nontrivial extensions of the standard model. The sole inputs required from the user are the model Lagrangian and the process of interest. As an application of the above, we explore scenarios beyond the standard model where new colored scalar particles can be pair produced in hadron collisions. Using simplified models to describe the new field interactions with the standard model, we present precision predictions for the LHC within the MADGRAPH5_aMC@NLO framework. C1 [Degrande, Celine] Univ Durham, Dept Phys, Inst Particle Phys Phenomenol, Durham DH1 3LE, England. [Fuks, Benjamin; Shao, Hua-Sheng] CERN, PH TH, CH-1211 Geneva 23, Switzerland. [Fuks, Benjamin] Univ Strasbourg, CNRS IN2P3, Inst Pluridisciplinaire Hubert Curien, Dept Rech Subatom, F-67037 Strasbourg, France. [Hirschi, Valentin] Natl Accelerator Lab, SLAC, Menlo Pk, CA 94025 USA. [Proudom, Josselin] Univ Grenoble Alpes, CNRS IN2P3, Lab Phys Subatom & Cosmol, F-38026 Grenoble, France. RP Degrande, C (reprint author), Univ Durham, Dept Phys, Inst Particle Phys Phenomenol, Durham DH1 3LE, England. OI Fuks, Benjamin/0000-0002-0041-0566 FU ERC [291377]; Research Executive Agency of the European Union [PITN-GA-2012-315877]; Theory-LHC-France initiative of the CNRS/IN2P3; SNF [PBELP2 146525]; Investissements d'avenir, Labex ENIGMASS FX We are extremely grateful to D. Goncalves-Netto, D. Lopez-Val and K. Mawatari for their help with MADGOLEM. We also thank R. Frederix, S. Frixione, F. Maltoni, O. Mattelaer, P. Torrielli and M. Zaro for enlightening discussions. This work has been supported in part by the ERC Grant No. 291377 LHCtheory: Theoretical predictions and analyses of LHC physics: advancing the precision frontier, the Research Executive Agency of the European Union under Grant Agreement No. PITN-GA-2012-315877 (MCNet) and the Theory-LHC-France initiative of the CNRS/IN2P3. C.D. is a Durham International Junior Research Fellow, the work of V.H. is supported by the SNF with Grant No. PBELP2 146525 and the one of J.P. by a PhD grant of the Investissements d'avenir, Labex ENIGMASS. NR 26 TC 9 Z9 9 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD MAY 5 PY 2015 VL 91 IS 9 AR 094005 DI 10.1103/PhysRevD.91.094005 PG 5 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CH2UW UT WOS:000353881200006 ER PT J AU Francis, A Kaczmarek, O Laine, M Neuhaus, T Ohno, H AF Francis, A. Kaczmarek, O. Laine, M. Neuhaus, T. Ohno, H. TI Critical point and scale setting in SU(3) plasma: An update SO PHYSICAL REVIEW D LA English DT Article ID QUENCHED LATTICE QCD; STRING TENSION; THERMODYNAMICS; BEHAVIOR AB We explore a method developed in statistical physics which has been argued to have exponentially small finite-volume effects, in order to determine the critical temperature T-c of pure SU(3) gauge theory close to the continuum limit. The method allows us to estimate the critical coupling beta(c) of the Wilson action for temporal extents up to N-tau similar to 20 with less than or similar to 0.1% uncertainties. Making use of the scale setting parameters r(0) and root t(0) in the same range of beta-values, these results lead to the independent continuum extrapolations T(c)r(0) = 0.7457(45) and T-c root t(0) = 0.2489(14), with the latter originating from a more convincing fit. Inserting a conversion of r(0) from literature (unfortunately with much larger errors) yields T-c/Lambda(MS) over bar = 1.24(10). C1 [Francis, A.] York Univ, Dept Phys & Astron, Toronto, ON M3J 1P3, Canada. [Kaczmarek, O.] Univ Bielefeld, Fac Phys, D-33501 Bielefeld, Germany. [Laine, M.] Univ Bern, Albert Einstein Ctr, Inst Theoret Phys, CH-3012 Bern, Switzerland. [Neuhaus, T.] Inst Adv Simulat, Julich Supercomputing Ctr, D-52425 Julich, Germany. [Ohno, H.] Univ Tsukuba, Ctr Computat Sci, Tsukuba, Ibaraki 3058577, Japan. [Ohno, H.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Francis, A (reprint author), York Univ, Dept Phys & Astron, 4700 Keele St, Toronto, ON M3J 1P3, Canada. OI Laine, Mikko/0000-0002-2680-4213 FU DFG [GRK881]; SNF [200020-155935]; European Union [283286, 238353]; JARA-HPC resources at the RWTH Aachen [JARA0039, JARA0108] FX We thank M. Muller for collaboration at initial stages of this project. Our work has been supported in part by the DFG under Grant No. GRK881, by the SNF under Grant No. 200020-155935, and by the European Union through HadronPhysics3 (Grant No. 283286) and ITN STRONGnet (Grant No. 238353). Simulations were performed using JARA-HPC resources at the RWTH Aachen (projects JARA0039 and JARA0108), JUDGE/JUROPA at the JSC Julich, the OCuLUS Cluster at the Paderborn Center for Parallel Computing, and the Bielefeld GPU cluster. NR 36 TC 13 Z9 13 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 EI 1550-2368 J9 PHYS REV D JI Phys. Rev. D PD MAY 5 PY 2015 VL 91 IS 9 AR 096002 DI 10.1103/PhysRevD.91.096002 PG 7 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CH2UW UT WOS:000353881200013 ER PT J AU Levin, EM Hanus, R Cui, J Xing, Q Riedemann, T Lograsso, TA Schmidt-Rohr, K AF Levin, E. M. Hanus, R. Cui, J. Xing, Q. Riedemann, T. Lograsso, T. A. Schmidt-Rohr, K. TI Phase analysis and determination of local charge carrier concentration in eutectic Mg2Si-Si alloysdy SO MATERIALS CHEMISTRY AND PHYSICS LA English DT Article DE Crystal structure; Electron microscopy; Nuclear magnetic resonance; Thermoelectric effect; Thermal properties ID THERMOELECTRIC PROPERTIES; THERMAL-CONDUCTIVITY; SILICON; MG2GE AB Multiphase materials attract attention due to possible combination of various properties attributed to each phase. The phase diagram of Mg-Si system shows that solidification of a melt containing about 45 and 55 at.% of Mg and Si should result in formation of Mg2Si and Si. Two alloys, Mg45Si55 and Mg46Si54 + 0.5 wt.%.Cu have been synthesized and studied using XRD, SEM, and Si-29 NMR at 300 K, and the Seebeck effect, electrical resistivity, and thermal conductivity in the temperature range of 300-750 K have been measured. Si-29 NMR detects two distinct signals, at -177 and -80 ppm, in both materials, which are assigned to Mg2Si and Si phases, respectively. Both phases are slightly nonstoichiometric and doped with Mg. Two phases also are found by XRD and electron microscopy. Si-29 NMR spin-lattice relaxation measurements in Mg2Si and Si phases show at least two components, short and long, which can be attributed to different local carrier concentrations, high and low, respectively, reflecting a local electronic inhomogeneity in each phase. The carrier concentrations range between 0.6 x 10(19) and 9 x 10(19) cm(-3). The Seebeck coefficient in both alloys is mostly determined by the Si phase, while the thermal conductivity is limited by the Mg2Si phase with a lower value than that of the Si phase. By utilizing all characterization tools, we show how various experimental methods can be used as complementary methods to better understand the individual and combined properties of multiphase alloys. (C) 2015 Elsevier B.V. All rights reserved. C1 [Levin, E. M.; Hanus, R.; Cui, J.; Xing, Q.; Riedemann, T.; Lograsso, T. A.; Schmidt-Rohr, K.] US DOE, Ames Lab, Div Engn & Mat Sci, Ames, IA 50011 USA. [Levin, E. M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Cui, J.; Schmidt-Rohr, K.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Lograsso, T. A.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Levin, EM (reprint author), US DOE, Ames Lab, Div Engn & Mat Sci, Ames, IA 50011 USA. EM levin@iastate.edu FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; U.S. Department of Energy [DE-AC02-07CH11358] FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. The research was performed at the Ames Laboratory, which is operated for the U.S. Department of Energy by Iowa State University under Contract No DE-AC02-07CH11358. NR 31 TC 0 Z9 0 U1 3 U2 30 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0254-0584 EI 1879-3312 J9 MATER CHEM PHYS JI Mater. Chem. Phys. PD MAY 5 PY 2015 VL 158 BP 1 EP 9 DI 10.1016/j.matchemphys.2015.03.017 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA CH0UA UT WOS:000353736700001 ER PT J AU Ivanov, SA Tellgren, R Porcher, F Andre, G Ericsson, T Nordblad, P Sadovskaya, N Kaleva, G Politova, E Baldini, M Sun, C Arvanitis, D Kumar, PA Mathieu, R AF Ivanov, S. A. Tellgren, R. Porcher, F. Andre, G. Ericsson, T. Nordblad, P. Sadovskaya, N. Kaleva, G. Politova, E. Baldini, M. Sun, C. Arvanitis, D. Kumar, P. Anil Mathieu, R. TI Structural and magnetic properties of nickel antimony ferrospinels SO MATERIALS CHEMISTRY AND PHYSICS LA English DT Article DE Oxides; Neutron scattering and diffraction; Crystal structure; Magnetic properties ID HYPERFINE PARAMETER DISTRIBUTIONS; OXIDIC SPINEL FERRITES; MOSSBAUER-SPECTROSCOPY; CATION DISTRIBUTIONS; CRYSTAL-CHEMISTRY; SB-121 MOSSBAUER; METAL OXIDES; FILIPSTADITE; ARRANGEMENT; LANGBAN AB Spinel-type compounds of Fe-Ni-Sb-O system were synthesized as polycrystalline powders. The crystal and magnetic properties were investigated using X-ray and neutron powder diffraction, Mossbauer and X-ray absorption spectroscopy and magnetization measurements. The samples crystallize in the cubic system, space group Fd - 3 m. The distribution of cations between octahedral and tetrahedral sites was refined from the diffraction data sets using constraints imposed by the magnetic, Mossbauer and EDS results and the ionic radii. The cation distribution and the temperature dependence of the lattice parameter (a) and the oxygen positional parameter (u) were obtained. A chemical formula close to Fe0.8Ni1.8Sb0.4O4 was determined, with Sb5+ cations occupying octahedral sites, and Fe3+ and Ni2+ occupying both tetrahedral and octahedral sites. Fe3+ mainly (85/15 ratio) occupy tetrahedral sites, and conversely Ni2+ mainly reside on octahedral ones. The magnetic unit cell is the same as the crystallographic one, having identical symmetry relations. The results indicate that the compounds have a collinear ferrimagnetic structure with antiferromagnetic coupling between the tetrahedral (A) and octahedral (B) sites. Uniquely, the temperature dependence of the net magnetization of this rare earth free ferrimagnet exhibits a compensation point. (C) 2015 Elsevier B.V. All rights reserved. C1 [Ivanov, S. A.; Sadovskaya, N.; Kaleva, G.; Politova, E.] Karpov Inst Phys Chem, Ctr Mat Sci, Moscow 105064, Russia. [Ivanov, S. A.; Nordblad, P.; Kumar, P. Anil; Mathieu, R.] Uppsala Univ, Dept Engn Sci, S-75121 Uppsala, Sweden. [Tellgren, R.; Ericsson, T.] Uppsala Univ, Dept Chem, S-75121 Uppsala, Sweden. [Porcher, F.; Andre, G.] Lab L Brillouin Spectrometrie Neutr, Saclay, France. [Baldini, M.] Carnegie Inst Sci, HPSynC, Argonne, IL 60439 USA. [Sun, C.] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, Argonne, IL 60439 USA. [Arvanitis, D.] Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden. RP Mathieu, R (reprint author), Uppsala Univ, Dept Engn Sci, Box 534, S-75121 Uppsala, Sweden. EM roland.mathieu@angstrom.uu.se RI Puri, Anil Kumar/E-9596-2010; OI Mathieu, Roland/0000-0002-5261-2047 FU Swedish Research Council (VR); Goran Gustafsson Foundation; Swedish Foundation for International Cooperation in Research and Higher Education (STINT); Russian Foundation for Basic Research; US Department of Energy Basic Energy Sciences; Canadian Light Source; University of Washington; Advanced Photon Source; U.S. DOE [DE-AC02-06CH11357] FX We thank the Swedish Research Council (VR), the Goran Gustafsson Foundation, the Swedish Foundation for International Cooperation in Research and Higher Education (STINT), and the Russian Foundation for Basic Research for financial support. PNC/XSD facilities at the Advanced Photon Source, and research at these facilities, are supported by the US Department of Energy Basic Energy Sciences, the Canadian Light Source and its funding partners, the University of Washington, and the Advanced Photon Source. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 48 TC 1 Z9 1 U1 3 U2 23 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0254-0584 EI 1879-3312 J9 MATER CHEM PHYS JI Mater. Chem. Phys. PD MAY 5 PY 2015 VL 158 BP 127 EP 137 DI 10.1016/j.matchemphys.2015.03.051 PG 11 WC Materials Science, Multidisciplinary SC Materials Science GA CH0UA UT WOS:000353736700017 ER PT J AU Casandruc, E Nicoletti, D Rajasekaran, S Laplace, Y Khanna, V Gu, GD Hill, JP Cavalleri, A AF Casandruc, E. Nicoletti, D. Rajasekaran, S. Laplace, Y. Khanna, V. Gu, G. D. Hill, J. P. Cavalleri, A. TI Wavelength-dependent optical enhancement of superconducting interlayer coupling in La1.885Ba0.115CuO4 SO PHYSICAL REVIEW B LA English DT Article ID CHARGE FLUCTUATION SPECTROSCOPY; CUPRATE SUPERCONDUCTOR; QUASI-PARTICLES; ORDER; PSEUDOGAP AB We analyze the pump wavelength dependence for the photoinduced enhancement of interlayer coupling in La1.885Ba0.115CuO4, which is promoted by optical melting of the stripe order. In the equilibrium superconducting state (T < T-C = 13 K) in which stripes and superconductivity coexist, time-domain terahertz spectroscopy reveals a photoinduced blueshift of the Josephson plasma resonance after excitation with optical pulses polarized perpendicular to the CuO2 planes. In the striped nonsuperconducting state (T-C < T < T-SO similar or equal to 40 K) a transient plasma resonance similar to that seen below T-C appears from a featureless equilibrium reflectivity. Most strikingly, both these effects become stronger upon tuning of the pump wavelength from the midinfrared to the visible, underscoring an unconventional competition between stripe order and superconductivity, which occurs on energy scales far above the ordering temperature. C1 [Casandruc, E.; Nicoletti, D.; Rajasekaran, S.; Laplace, Y.; Khanna, V.; Cavalleri, A.] Max Planck Inst Struct & Dynam Matter, Hamburg, Germany. [Casandruc, E.; Nicoletti, D.; Rajasekaran, S.; Laplace, Y.; Khanna, V.; Cavalleri, A.] Ctr Free Electron Laser Sci, Hamburg, Germany. [Khanna, V.; Cavalleri, A.] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [Khanna, V.] Diamond Light Source, Didcot, Oxon, England. [Gu, G. D.; Hill, J. P.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Casandruc, E (reprint author), Max Planck Inst Struct & Dynam Matter, Hamburg, Germany. EM eliza.casandruc@mpsd.mpg.de; daniele.nicoletti@mpsd.mpg.de; andrea.cavalleri@mpsd.mpg.de FU European Research Council under the European Union's Seventh Framework Programme (FP7)/ERC Grant [319286]; German Research Foundation [DFG-SFB 925]; Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, U.S. Department of Energy [DE-SC00112704] FX The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC Grant Agreement No. 319286 (Q-MAC) and from the German Research Foundation (Grant No. DFG-SFB 925). Work at Brookhaven was supported by the Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, U.S. Department of Energy under Contract No. DE-SC00112704. NR 28 TC 6 Z9 6 U1 3 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 5 PY 2015 VL 91 IS 17 AR 174502 DI 10.1103/PhysRevB.91.174502 PG 7 WC Physics, Condensed Matter SC Physics GA CH2TQ UT WOS:000353878000002 ER PT J AU Zhang, Y Wang, CZ Mendelev, MI Zhang, F Kramer, MJ Ho, KM AF Zhang, Y. Wang, C. Z. Mendelev, M. I. Zhang, F. Kramer, M. J. Ho, K. M. TI Diffusion in a Cu-Zr metallic glass studied by microsecond-scale molecular dynamics simulations SO PHYSICAL REVIEW B LA English DT Article ID ALLOYS; LIQUID; SYSTEM AB Icosahedral short-range order (ISRO) has been widely accepted to be dominant in Cu-Zr metallic glasses (MGs). However, the diffusion mechanism and correlation of ISRO and medium-range order (MRO) to diffusion in MGs remain largely unexplored. Here, we perform a long time annealing up to 1.8 mu s in molecular dynamics simulations to study the diffusion mechanism and the relationship between atomic structures and the diffusion path in a Cu64.5Zr35.5 MG. It is found that most of the diffusing events performed by the diffusing atoms are outside ISRO and the Bergman-type MRO. The long-range diffusion in MGs is highly heterogeneous, via collective diffusing events through the liquidlike channels in the glass. Our results clearly demonstrate a strong correlation between the atomic structures and transport in MGs. C1 [Zhang, Y.; Wang, C. Z.; Mendelev, M. I.; Zhang, F.; Kramer, M. J.; Ho, K. M.] US DOE, Ames Lab, Ames, IA 50011 USA. [Wang, C. Z.; Ho, K. M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Kramer, M. J.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Zhang, Y (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM wangcz@ameslab.gov FU U.S. DOE by Iowa State University [DE-AC02-07CH11358] FX The research was performed at the Ames Laboratory, which is operated for the U.S. DOE by Iowa State University under Contract No. DE-AC02-07CH11358. The computer time support came from National Energy Research Scientific Computing Center (NERSC) in Berkeley, CA. NR 37 TC 6 Z9 6 U1 6 U2 53 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 5 PY 2015 VL 91 IS 18 AR 180201 DI 10.1103/PhysRevB.91.180201 PG 5 WC Physics, Condensed Matter SC Physics GA CH2TS UT WOS:000353878200001 ER PT J AU Rees, JM Paul, ES Simpson, J Riley, MA Ayangeakaa, AD Carpenter, MP Chiara, CJ Garg, U Hampson, P Hartley, DJ Hoffman, CR Janssens, RVF Kondev, FG Lauritsen, T Mason, PJR Matta, J Miller, SL Nolan, PJ Ollier, J Petri, M Radford, DC Revill, JP Wang, X Zhu, S Gellanki, J Ragnarsson, I AF Rees, J. M. Paul, E. S. Simpson, J. Riley, M. A. Ayangeakaa, A. D. Carpenter, M. P. Chiara, C. J. Garg, U. Hampson, P. Hartley, D. J. Hoffman, C. R. Janssens, R. V. F. Kondev, F. G. Lauritsen, T. Mason, P. J. R. Matta, J. Miller, S. L. Nolan, P. J. Ollier, J. Petri, M. Radford, D. C. Revill, J. P. Wang, X. Zhu, S. Gellanki, J. Ragnarsson, I. TI High-spin terminating states in the N=88 Ho-155 and Er-156 isotones SO PHYSICAL REVIEW C LA English DT Article ID BAND TERMINATION; ROTATIONAL BANDS; NUCLEI; SIGNATURE; MOMENTS; SPECTROSCOPY; EXCITATIONS; ENERGIES; YB-158; M1 AB The Sn-124(Cl-37, 6n gamma) fusion-evaporation reaction at a bombarding energy of 180 MeV has been used to significantly extend the excitation level scheme of Ho-155(67)88. The collective rotational behavior of this nucleus breaks down above spin I similar to 30 and a fully aligned noncollective (band terminating) state has been identified at I-pi = 79/2(-). Comparison with cranked Nilsson-Strutinsky calculations also provides evidence for core-excited noncollective states at I-pi = 87/2(-) and (89/2(+)) involving particle-hole excitations across the Z = 64 shell gap. A similar core-excited state in Er-156(68)88 at I-pi = (46(+)) is also presented. C1 [Rees, J. M.; Paul, E. S.; Hampson, P.; Nolan, P. J.; Revill, J. P.] Univ Liverpool, Oliver Lodge Lab, Liverpool L69 7ZE, Merseyside, England. [Simpson, J.; Mason, P. J. R.; Ollier, J.] STFC Daresbury Lab, Warrington WA4 4AD, Cheshire, England. [Riley, M. A.; Miller, S. L.; Wang, X.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Ayangeakaa, A. D.; Garg, U.; Matta, J.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Carpenter, M. P.; Chiara, C. J.; Hoffman, C. R.; Janssens, R. V. F.; Lauritsen, T.; Zhu, S.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Chiara, C. J.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA. [Hartley, D. J.] US Naval Acad, Dept Phys, Annapolis, MD 21402 USA. [Kondev, F. G.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Petri, M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Radford, D. C.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Gellanki, J.; Ragnarsson, I.] Lund Univ, LTH, Div Math Phys, S-22100 Lund, Sweden. RP Rees, JM (reprint author), Univ Liverpool, Oliver Lodge Lab, Liverpool L69 7ZE, Merseyside, England. EM esp@ns.ph.liv.ac.uk RI Ayangeakaa, Akaa/F-3683-2015; Carpenter, Michael/E-4287-2015; Hoffman, Calem/H-4325-2016; Petri, Marina/H-4630-2016 OI Ayangeakaa, Akaa/0000-0003-1679-3175; Carpenter, Michael/0000-0002-3237-5734; Hoffman, Calem/0000-0001-7141-9827; Petri, Marina/0000-0002-3740-6106 FU United Kingdom Science and Technology Facilities Council [DE-FG02-94ER40834, DE-FG02-96ER40983, DE-AC02-06CH11357, DE-AC02-05CH11231]; National Science Foundation [PHY-756474, PHY-1203100, PHY-0754674]; Swedish Research Council; State of Florida FX This material is based upon work supported by the United Kingdom Science and Technology Facilities Council in addition to the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under Awards No. DE-FG02-94ER40834 (UMD) and No. DE-FG02-96ER40983 (UTK), and under Contracts No. DE-AC02-06CH11357 (ANL) and No. DE-AC02-05CH11231 (LBL), and by the National Science Foundation under Contracts No. PHY-756474 (FSU), No. PHY-1203100 (USNA), and No. PHY-0754674 (UND). This research used resources of ANL's ATLAS facility, which is a DOE Office of Science User Facility. Support was also provided by the Swedish Research Council and the State of Florida. The authors acknowledge the ATLAS operations staff for the beam support and John Greene (ATLAS) and Paul Morrall (STFC Daresbury) for preparing the targets. NR 49 TC 1 Z9 1 U1 0 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 EI 1089-490X J9 PHYS REV C JI Phys. Rev. C PD MAY 5 PY 2015 VL 91 IS 5 AR 054301 DI 10.1103/PhysRevC.91.054301 PG 17 WC Physics, Nuclear SC Physics GA CH2UP UT WOS:000353880500001 ER PT J AU Buckley, MR Charles, E Gaskins, JM Brooks, AM Drlica-Wagner, A Martin, P Zhao, G AF Buckley, Matthew R. Charles, Eric Gaskins, Jennifer M. Brooks, Alyson M. Drlica-Wagner, Alex Martin, Pierrick Zhao, Geng TI Search for gamma-ray emission from dark matter annihilation in the large magellanic cloud with the fermi large area telescope SO PHYSICAL REVIEW D LA English DT Article ID GALACTIC-CENTER; NEUTRALINO ANNIHILATION; STAR-FORMATION; CROSS-SECTION; MILKY-WAY; GALAXIES; CONSTRAINTS; CALIBRATION; KINEMATICS; MODELS AB At a distance of 50 kpc and with a dark matter mass of similar to 10(10) M-circle dot, the large magellanic cloud (LMC) is a natural target for indirect dark matter searches. We use five years of data from the Fermi Large Area Telescope (LAT) and updated models of the gamma-ray emission from standard astrophysical components to search for a dark matter annihilation signal from the LMC. We perform a rotation curve analysis to determine the dark matter distribution, setting a robust minimum on the amount of dark matter in the LMC, which we use to set conservative bounds on the annihilation cross section. The LMC emission is generally very well described by the standard astrophysical sources, with at most a 1-2 sigma excess identified near the kinematic center of the LMC once systematic uncertainties are taken into account. We place competitive bounds on the dark matter annihilation cross section as a function of dark matter particle mass and annihilation channel. C1 [Buckley, Matthew R.; Brooks, Alyson M.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Charles, Eric; Zhao, Geng] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Dept Phys, WW Hansen Expt Phys Lab, Stanford, CA 94305 USA. [Charles, Eric; Zhao, Geng] Stanford Univ, SLAC Natl Accelerator Lab, Stanford, CA 94305 USA. [Gaskins, Jennifer M.] CALTECH, Pasadena, CA 91125 USA. [Gaskins, Jennifer M.] Univ Amsterdam, GRAPPA, NL-1098 XH Amsterdam, Netherlands. [Drlica-Wagner, Alex] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Martin, Pierrick] UPS CNRS, Inst Rech Astrophys & Planetol, UMR5277, F-31028 Toulouse 4, France. RP Buckley, MR (reprint author), Rutgers State Univ, Dept Phys & Astron, POB 849, Piscataway, NJ 08854 USA. OI Buckley, Matthew/0000-0003-1109-3460 FU Istituto Nazionale di Astrofisica in Italy; Centre National d'Etudes Spatiales in France FX The Fermi LAT Collaboration acknowledges generous ongoing support from a number of agencies and institutes that have supported both the development and the operation of the LAT as well as scientific data analysis. These include the National Aeronautics and Space Administration and the Department of Energy in the United States, the Commissariat a l'Energie Atomique and the Centre National de la Recherche Scientifique/Institut National de Physique Nucleaire et de Physique des Particules in France, the Agenzia Spaziale Italiana and the Istituto Nazionale di Fisica Nucleare in Italy, the Ministry of Education, Culture, Sports, Science and Technology (MEXT), High Energy Accelerator Research Organization (KEK) and Japan Aerospace Exploration Agency (JAXA) in Japan, and the K.A. Wallenberg Foundation, the Swedish Research Council and the Swedish National Space Board in Sweden. Additional support for science analysis during the operations phase is gratefully acknowledged from the Istituto Nazionale di Astrofisica in Italy and the Centre National d'Etudes Spatiales in France. We thank Knut Olsen for his help in analyzing the LMC H I rotational velocity data and Charles Keeton for his help in the calculation of the magnitude of the gravitational lensing caused by the LMC. Finally, we thank Johann Cohen-Tanugi, Gabrijela Zaharijas, Rouven Essig and Neelima Sehgal for help with quantifying the effects of electroweak corrections to the dark matter spectra. NR 118 TC 17 Z9 17 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD MAY 5 PY 2015 VL 91 IS 10 AR 102001 DI 10.1103/PhysRevD.91.102001 PG 29 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CH2VB UT WOS:000353881700001 ER PT J AU Wu, SM Pearson, JE Bhattacharya, A AF Wu, Stephen M. Pearson, John E. Bhattacharya, Anand TI Paramagnetic Spin Seebeck Effect SO PHYSICAL REVIEW LETTERS LA English DT Article ID GADOLINIUM GALLIUM GARNET; SHORT-RANGE ORDER; FRUSTRATED MAGNET; WAVES; FLUCTUATIONS; GD3GA5O12 AB We report the observation of the longitudinal spin Seebeck effect in paramagnetic insulators. By using a microscale on-chip local heater, we generate a large thermal gradient confined to the chip surface without a large increase in the total sample temperature. Using this technique at low temperatures (< 20 K), we resolve the paramagnetic spin Seebeck effect in the insulating paramagnets Gd3Ga5O12 (gadolinium gallium garnet) and DyScO3 (DSO), using either W or Pt as the spin detector layer. By taking advantage of the strong magnetocrystalline anisotropy of DSO, we eliminate contributions from the Nernst effect in W or Pt, which produces a phenomenologically similar signal. C1 [Wu, Stephen M.; Pearson, John E.; Bhattacharya, Anand] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Wu, SM (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM swu@anl.gov RI Bhattacharya, Anand/G-1645-2011 OI Bhattacharya, Anand/0000-0002-6839-6860 FU U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), Materials Sciences and Engineering Division; U.S. DOE, BES [DE-AC02-06CH11357] FX All authors acknowledge support of the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), Materials Sciences and Engineering Division. The use of facilities at the Center for Nanoscale Materials was supported by the U.S. DOE, BES under Contract No. DE-AC02-06CH11357. NR 41 TC 22 Z9 22 U1 3 U2 50 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD MAY 5 PY 2015 VL 114 IS 18 AR 186602 DI 10.1103/PhysRevLett.114.186602 PG 5 WC Physics, Multidisciplinary SC Physics GA CH2WF UT WOS:000353884900005 PM 26001014 ER PT J AU Zhang, X Zhang, L Tong, HM Peng, B Rames, MJ Zhang, SL Ren, G AF Zhang, Xing Zhang, Lei Tong, Huimin Peng, Bo Rames, Matthew J. Zhang, Shengli Ren, Gang TI 3D Structural Fluctuation of IgG1 Antibody Revealed by Individual Particle Electron Tomography SO SCIENTIFIC REPORTS LA English DT Article ID NEGATIVE-STAINING PROTOCOL; IMMUNOGLOBULIN-G MOLECULES; 3-DIMENSIONAL RECONSTRUCTION; MICROSCOPE TOMOGRAPHY; MONOCLONAL-ANTIBODY; ATOMIC-RESOLUTION; CRYSTAL-STRUCTURE; CRYO-EM; X-RAY; CRYOMICROSCOPY AB Commonly used methods for determining protein structure, including X-ray crystallography and single-particle reconstruction, often provide a single and unique three-dimensional (3D) structure. However, in these methods, the protein dynamics and flexibility/fluctuation remain mostly unknown. Here, we utilized advances in electron tomography (ET) to study the antibody flexibility and fluctuation through structural determination of individual antibody particles rather than averaging multiple antibody particles together. Through individual-particle electron tomography (IPET) 3D reconstruction from negatively-stained ET images, we obtained 120 ab-initio 3D density maps at an intermediate resolution (similar to 1-3 nm) from 120 individual IgG1 antibody particles. Using these maps as a constraint, we derived 120 conformations of the antibody via structural flexible docking of the crystal structure to these maps by targeted molecular dynamics simulations. Statistical analysis of the various conformations disclosed the antibody 3D conformational flexibility through the distribution of its domain distances and orientations. This blueprint approach, if extended to other flexible proteins, may serve as a useful methodology towards understanding protein dynamics and functions. C1 [Zhang, Xing; Zhang, Lei; Tong, Huimin; Peng, Bo; Rames, Matthew J.; Ren, Gang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Zhang, Xing; Zhang, Shengli] Xi An Jiao Tong Univ, Dept Appl Phys, Xian 710049, Shaanxi, Peoples R China. RP Ren, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM gren@lbl.gov RI Foundry, Molecular/G-9968-2014; Zhang, Lei/G-6427-2012 OI Zhang, Lei/0000-0002-4880-824X FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; NIH [R01 HL115153, R01 GM104427] FX We thank Drs. Allan Kaspar, Gary Woodnutt for providing antibody samples, Kevin Dyer and Petrus Zwart for discussion, and Amy Ren for editing. 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. The technique developments were supported by NIH grants (R01 HL115153 and R01 GM104427) NR 61 TC 3 Z9 3 U1 4 U2 24 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD MAY 5 PY 2015 VL 5 AR 09803 DI 10.1038/srep09803 PG 13 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH3CO UT WOS:000353904300001 PM 25940394 ER PT J AU Coblentz, D Pabian, F AF Coblentz, David Pabian, Frank TI Revised Geologic Site Characterization of the North Korean Test Site at Punggye-ri SO SCIENCE & GLOBAL SECURITY LA English DT Article ID ADVANCED SEISMIC ANALYSES; RADAR IMAGERY; NUCLEAR TESTS AB An evaluation of terrain characteristics provides a way to make geologic interpretations for denied-access sites. This contribution illustrates the utility of this approach by developing a revised geologic map of the North Korean test site through reconnaissance-based geomorphometrics (defined as the science of quantitative land surface analysis) and geospatial investigation. This study provides a way to quantify the geologic differences at the test site and suggests that geologic factors contributed to the prompt release of detected radionuclides associated with the 2006 nuclear test event compared to the 2009 and 2013 events. This method is relevant for test monitoring by providing: 1) A better understanding of host rock integrity and geologic coupling characteristics; 2) A means to facilitate a more accurate determination of explosive yields; 3) A better understanding of event containment and the likelihood of venting, and 4) An enhanced understanding of potential radionuclide transport mechanisms that might assist in future monitoring and verification of clandestine tests. C1 [Coblentz, David] Los Alamos Natl Lab, Solid Earth Geophys Earth & Environm Sci Div, Los Alamos, NM 87545 USA. [Pabian, Frank] Los Alamos Natl Lab, Intelligence Anal & Technol Div, Los Alamos, NM 87545 USA. RP Coblentz, D (reprint author), Los Alamos Natl Lab, Earth & Environm Sci Div, Solid Earth Geophys EES 17, POB 1663,Mailstop F665, Los Alamos, NM 87545 USA. EM coblentz@lanl.gov NR 15 TC 2 Z9 2 U1 0 U2 0 PU ROUTLEDGE JOURNALS, TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXFORDSHIRE, ENGLAND SN 0892-9882 EI 1547-7800 J9 SCI GLOB SECUR JI Sci. Glob. Secur. PD MAY 4 PY 2015 VL 23 IS 2 BP 101 EP 120 DI 10.1080/08929882.2015.1039343 PG 20 WC International Relations SC International Relations GA DB9BZ UT WOS:000368812300003 ER PT J AU Bertolini, D Thaler, J Walsh, JR AF Bertolini, Daniele Thaler, Jesse Walsh, Jonathan R. TI The first calculation of fractional jets SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE QCD Phenomenology; Jets ID TO-LEADING ORDER; QUANTUM CHROMODYNAMICS; E(+)E(-) ANNIHILATION; GLUON BREMSSTRAHLUNG; E+E-ANNIHILATION; E&E-ANNIHILATION; MATRIX-ELEMENTS; PARTON SHOWERS; HIGH-ENERGIES; EVENT SHAPES AB In collider physics, jet algorithms are a ubiquitous tool for clustering particles into discrete jet objects. Event shapes offer an alternative way to characterize jets, and one can define a jet multiplicity event shape, which can take on fractional values, using the framework of "jets without jets". In this paper, we perform the first analytic studies of fractional jet multiplicity (N) over tilde (jet) in the context of e(+)e(-) collisions. We use fixed-order QCD to understand the (N) over tilde (jet) cross section at order alpha(2)(s), and we introduce a candidate factorization theorem to capture certain higher-order effects. The resulting distributions have a hybrid jet algorithm/event shape behavior which agrees with parton shower Monte Carlo generators. The (N) over tilde (jet) observable does not satisfy ordinary soft-collinear factorization, and the (N) over tilde (jet) cross section exhibits a number of unique features, including the absence of collinear logarithms and the presence of soft logarithms that are purely non-global. Additionally, we find novel divergences connected to the energy sharing between emissions, which are reminiscent of rapidity divergences encountered in other applications. Given these interesting properties of fractional jet multiplicity, we advocate for future measurements and calculations of (N) over tilde (jet) at hadron colliders like the LHC. C1 [Bertolini, Daniele; Walsh, Jonathan R.] Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bertolini, Daniele; Walsh, Jonathan R.] Univ Calif Berkeley, Ctr Theoret Phys, Berkeley, CA 94720 USA. [Thaler, Jesse] MIT, Ctr Theoret Phys, Cambridge, MA 02139 USA. RP Bertolini, D (reprint author), Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM dbertolini@lbl.gov; jthaler@mit.edu; jwalsh@lbl.gov OI Thaler, Jesse/0000-0002-2406-8160 FU Office of Science, Office of High Energy Physics, of U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; DOE Early Career research program [DE-FG02-11ER-41741]; Sloan Research Fellowship from Alfred P. Sloan Foundation; Office of Science of DOE [DE-AC02-05CH11231]; [DE-SC00012567] FX We thank Andrew Larkoski for helpful discussions. D.B. and J.R.W. are supported by the Office of Science, Office of High Energy Physics, of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231, and J.T. is supported under grant Contract No. DE-SC00012567. J.T. is also supported by the DOE Early Career research program DE-FG02-11ER-41741 and by a Sloan Research Fellowship from the Alfred P. Sloan Foundation. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the DOE under Contract No. DE-AC02-05CH11231. NR 95 TC 4 Z9 4 U1 1 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD MAY 4 PY 2015 IS 5 AR 008 DI 10.1007/JHEP05(2015)008 PG 45 WC Physics, Particles & Fields SC Physics GA CL4TB UT WOS:000356946400001 ER PT J AU Berg, JM Gaunt, AJ May, I Pugmire, AL Reilly, SD Scott, BL Wilkerson, MP AF Berg, John M. Gaunt, Andrew J. May, Iain Pugmire, Alison L. Reilly, Sean D. Scott, Brian L. Wilkerson, Marianne P. TI Unexpected Actinyl Cation-Directed Structural Variation in Neptunyl(VI) A-Type Tri-lacunary Heteropolyoxotungstate Complexes SO INORGANIC CHEMISTRY LA English DT Article ID SANDWICH-TYPE COMPLEX; SPECTROSCOPIC CHARACTERIZATION; ELECTRONIC-STRUCTURE; ALKALINE-SOLUTION; POLYOXOMETALATE COMPLEX; URANYL COMPLEXES; IONS; COORDINATION; NEPTUNIUM; CHEMISTRY AB A-type tri-lacunary heteropolyoxotungstate anions (e.g., [PW9O34](9-), [AsW9O34](9-), [SiW9O34](10-), and [GeW9O34](10-)) are multidentate oxygen donor ligands that readily form sandwich complexes with actinyl cations ({UO2}(2+), {NpO2}(+), {NpO2}(2+), and {PuO2}(2+)) in near-neutral/slightly alkaline aqueous solutions. Two or three actinyl cations are sandwiched between two tri-lacunary anions, with additional cations (Na+, K+, or NH4+) also often held within the cluster. Studies thus far have indicated that it is these additional +1 cations, rather than the specific actinyl cation, that direct the structural variation in the complexes formed. We now report the structural characterization of the neptunyl(VI) cluster complex (NH4)(13)[Na(NpO2)(2)(A-alpha-PW9O34)(2)] 12H(2)O. The anion in this complex, [Na(NpO2)(2)(PW9O34)(2)](13-), contains one Na+ cation and two {NpO2}(2+) cations held between two [PW9O34](9-) anions, with an additional partial occupancy NH4+ or {NpO2}(2+) cation also present. In the analogous uranium(VI) system, under similar reaction conditions that include an excess of NH4Cl in the parent solution, it was previously shown that [(NH4)(2)((UO2)-O-VI)(2)(A-PW9O34)(2)](12-) is the dominant species in both solution and the crystallized salt. Spectroscopic studies provide further proof of differences in the observed chemistry for the {NpO2}(2+)/[PW9O34](9-) and {UO2}(2+)/[PW9O34](9-) systems, both in solution and in solid state complexes crystallized from comparable salt solutions. This work reveals that varying the actinide element (Np vs U) can indeed measurably impact structure and complex stability in the cluster chemistry of actinyl(VI) cations with A-type tri-lacunary heteropolyoxotungstate anions. C1 [Berg, John M.; Gaunt, Andrew J.; May, Iain; Pugmire, Alison L.; Reilly, Sean D.; Scott, Brian L.; Wilkerson, Marianne P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP May, I (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM iainmay@lanl.gov; alisonc@lanl.gov RI Scott, Brian/D-8995-2017; OI Scott, Brian/0000-0003-0468-5396; Berg, John/0000-0002-6533-3573; Gaunt, Andrew/0000-0001-9679-6020 FU Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy; Los Alamos National Laboratory Laboratory Directed Research program through a Seaborg Fellowship; U.S. Department of Energy [DE-AC52-06NA25396] FX This work was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy, under the Heavy Element program. A.L.P. was also supported through the Los Alamos National Laboratory Laboratory Directed Research program through a Seaborg Fellowship. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of U.S. Department of Energy (contract DE-AC52-06NA25396). NR 104 TC 4 Z9 4 U1 7 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD MAY 4 PY 2015 VL 54 IS 9 BP 4192 EP 4199 DI 10.1021/ic5024345 PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CH5KX UT WOS:000354075600006 PM 25901900 ER PT J AU Lewandowska-Andralojc, A Baine, T Zhao, X Muckerman, JT Fujita, E Polyansky, DE AF Lewandowska-Andralojc, Anna Baine, Teera Zhao, Xuan Muckerman, James T. Fujita, Etsuko Polyansky, Dmitry E. TI Mechanistic Studies of Hydrogen Evolution in Aqueous Solution Catalyzed by a Tertpyridine-Amine Cobalt Complex SO INORGANIC CHEMISTRY LA English DT Article ID ELECTRON-TRANSFER REACTIONS; SOLVATION FREE-ENERGIES; VISIBLE-LIGHT; HOMOGENEOUS CATALYSIS; H-2 PRODUCTION; FUNCTIONAL MODELS; PHOTO-REDUCTION; GENERATING HYDROGEN; PENTADENTATE LIGAND; WATER REDUCTION AB The ability of cobalt-based transition metal complexes to catalyze electrochemical proton reduction to produce molecular hydrogen has resulted in a large number of mechanistic studies involving various cobalt complexes. While the basic mechanism of proton reduction promoted by cobalt species is well-understood, the reactivity of certain reaction intermediates, such as Co-I and Co-III-H, is still relatively unknown owing to their transient nature, especially in aqueous media. In this work we investigate the properties of intermediates produced during catalytic proton reduction in aqueous solutions promoted by the [(DPA-Bpy)Co(OH2)](n+) (DPA-Bpy = N,N-bis(2-pyridinylmethyl)-2,20-bipyridine-6-methanamine) complex ([Co(L)(OH2)](n+) where L is the pentadentate DPA-Bpy ligand or [Co(OH2)](n+) as a shorthand). Experimental results based on transient pulse radiolysis and laser flash photolysis methods, together with electrochemical studies and supported by density functional theory (DFT) calculations indicate that, while the water ligand is strongly coordinated to the metal center in the oxidation state 3+, one-electron reduction of the complex to form a Co-II species results in weakening the Co-O bond. The further reduction to a Co-I species leads to the loss of the aqua ligand and the formation of [Co-I-VS)](+) (VS = vacant site). Interestingly, DFT calculations also predict the existence of a [Co-I(kappa(4)-L)(OH2)](+) species at least transiently, and its formation is consistent with the experimental Pourbaix diagram. Both electrochemical and kinetics results indicate that the Co-I species must undergo some structural change prior to accepting the proton, and this transformation represents the rate-determining step (RDS) in the overall formation of [Co-III-H](2+). We propose that this RDS may originate from the slow removal of a solvent ligand in the intermediate [Co-I(kappa(4))-L)(OH2)](+) in addition to the significant structural reorganization of the metal complex and surrounding solvent resulting in a high free energy of activation. C1 [Lewandowska-Andralojc, Anna; Muckerman, James T.; Fujita, Etsuko; Polyansky, Dmitry E.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Baine, Teera; Zhao, Xuan] Univ Memphis, Dept Chem, Memphis, TN 38152 USA. RP Lewandowska-Andralojc, A (reprint author), Adam Mickiewicz Univ, Fac Chem, Umultowska 89b, PL-61614 Poznan, Poland. EM alewand@amu.edu.pl; dmitriyp@bnl.gov RI Polyansky, Dmitry/C-1993-2009; Lewandowska-Andralojc, Anna/A-8149-2012 OI Polyansky, Dmitry/0000-0002-0824-2296; FU U.S. Department of Energy [DE-SC00112704]; Division of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences; NSF [EPS 1004083, CHE 1352036] FX Dr. Y. Matsubara is acknowledged for providing a BIH sample. The work at Brookhaven National Laboratory (BNL) was performed under Contract No. DE-SC00112704 with the U.S. Department of Energy and supported by its Division of Chemical Sciences, Geosciences, & Biosciences, Office of Basic Energy Sciences. Accelerator Center for Energy Research (ACER) at BNL is acknowledged for providing access to Van de Graaff pulse radiolysis facility. X.Z. acknowledges the financial support from NSF EPS 1004083 and CHE 1352036. NR 83 TC 13 Z9 13 U1 4 U2 84 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD MAY 4 PY 2015 VL 54 IS 9 BP 4310 EP 4321 DI 10.1021/ic5031137 PG 12 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CH5KX UT WOS:000354075600019 PM 25902004 ER PT J AU Labios, LA Heiden, ZM Mock, MT AF Labios, Liezel A. Heiden, Zachariah M. Mock, Michael T. TI Electronic and Steric Influences of Pendant Amine Groups on the Protonation of Molybdenum Bis(dinitrogen) Complexes SO INORGANIC CHEMISTRY LA English DT Article ID DINITROGEN COMPLEXES; COORDINATED DINITROGEN; TUNGSTEN-DINITROGEN; MOLECULAR-STRUCTURE; 7-COORDINATE COMPLEXES; LIGATING DINITROGEN; CATALYTIC-REDUCTION; DIPHOSPHINE LIGAND; CRYSTAL-STRUCTURES; NITROGEN-FIXATION AB The synthesis of a series of (PPNRR)-P-Et (p(Et)p(NRR) = Et2P CH2 CH2P-CH2NRW) (CH2NRR)(2) R' = Ph or 2,4-difluorophenyl; R = R' = Ph or IPr) diphosphine ligands containing mono- and disubstituted pendant amine groups and the preparation of their corresponding molybdenum bis(dinitrogen) complexes trans-Mo(N-2)(2)(PMePh2)(2)(papNR)(9) is described. In situ IR and multinudear NMR spectroscopic studies monitoring the stepwise addition of triflic acid (HOT to trans-Mo(N-2)(2)(PMePh2)(2)(pEtpNR11) complexes in tetrahydrofuran at 40 degrees C show that the electronic and steric properties of the R and R' groups of the pendant amines influence whether the complexes are protonated at Mo, a pendant amine, a coordinated N, ligand, or a combination of these sites. For example, complexes containing monoaryl-substituted pendant amines are protonated at Mo and the pendant amine site to generate mono- and dicationic Mo H species. Protonation of the complex containing less basic diphenylsubstituted pendant amines exclusively generates a monocationic hydrazido (Mo(NNH2)) product, indicating preferential protonation of an N, ligand. Addition of HOTf to the complex featuring more basic diisopropyl amines primarily produces a monocationic product protonated at a pendant amine site, as well as a trace amount of dicationic Mo(NNH2) product that is additionally protonated at a pendant amine site. In addition, trans-Mo(N-2)(2)(PMePh2)(2)(depe) (depe = Et2PCH2CH2PEt2) was synthesized to serve as a counterpart lacking pendant amines. Treatment of this complex with HOTf generated a monocationic Mo(NNH2) product. Protonolysis experiments conducted on several complexes in this study afforded trace amounts of NH4RI Computational analysis of trans-Mo(N2)2(PMePh2)2(P EtpNV) complexes provides further insight into the proton affinity values of the metal center, N2 ligand, and pendant amine sites to rationalize differences in their reactivity profiles. C1 [Labios, Liezel A.; Mock, Michael T.] Pacific NW Natl Lab, Div Phys Sci, Ctr Mol Electrocatalysis, Richland, WA 99352 USA. [Heiden, Zachariah M.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. RP Mock, MT (reprint author), Pacific NW Natl Lab, Div Phys Sci, Ctr Mol Electrocatalysis, Richland, WA 99352 USA. EM Michael.Mock@pnnl.gov FU Center for Molecular Electrocatalysis, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences FX This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Computational resources provided by the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy. NR 61 TC 3 Z9 3 U1 5 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD MAY 4 PY 2015 VL 54 IS 9 BP 4409 EP 4422 DI 10.1021/acsinorgchem.5b00209 PG 14 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CH5KX UT WOS:000354075600031 PM 25871448 ER PT J AU Yan, Y Lee, JS Ruddy, DA AF Yan, Yong Lee, John S. Ruddy, Daniel A. TI Structure-Function Relationships for Electrocatalytic Water Oxidation by Molecular [Mn12O12] Clusters SO INORGANIC CHEMISTRY LA English DT Article ID DEPENDENT ACTIVITY; COMPLEX; MANGANESE; CATALYST; PHOSPHATE; CARBOXYLATE; MAGNETS; OXYGEN; STATE; SITE AB A series of Mn12O12(OAc)(16-x)L-x(H2O)(4) molecular clusters (L = acetate, benzoate, benzenesulfonate, diphenylphosphonate, dichloroacetate) were electrocatalytically investigated as water oxidation electrocatalysts on a fluorine-doped tin oxide glass electrode. Four of the [Mn12O12] compounds demonstrated water oxidation activity at pH 7.0 at varying overpotentials (640-820 mV at 0.2 mA/cm(2)) and with high Faradaic efficiency (85-93%). For the most active complex, more than 200 turnovers were observed after 5 min. Two structure-function relationships for these complexes were developed. First, these complexes must undergo at least one-electron oxidation to become active catalysts, and complexes that cannot be oxidized in this potential window were inactive. Second, a greater degree of distortion at Mn1 and Mn3 centers correlated with higher catalytic activity. From this distortion analysis, either or both of these two Mn centers are proposed to be the catalytically active site. C1 [Yan, Yong; Lee, John S.; Ruddy, Daniel A.] Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA. RP Ruddy, DA (reprint author), Natl Renewable Energy Lab, Chem & Nanosci Ctr, Golden, CO 80401 USA. EM dan.ruddy@nrel.gov RI Yan, Yong/E-1087-2013 FU NREL's Laboratory Directed Research & Development (LDRD) program under U.S. Dept. of Energy [DE-AC36-08-GO28308]; U.S. Dept. of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Science Undergraduate Laboratory Internship (SULI) program FX The authors thank J. Gu and N. R. Neale for helpful discussions. This research was supported by NREL's Laboratory Directed Research & Development (LDRD) program under U.S. Dept. of Energy Contract No. DE-AC36-08-GO28308. This research was supported in part (J.S.L.) by the U.S. Dept. of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Science Undergraduate Laboratory Internship (SULI) program. NR 29 TC 2 Z9 2 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 MAY 4 PY 2015 VL 54 IS 9 BP 4550 EP 4555 DI 10.1021/acs.inorgchem.5b00398 PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA CH5KX UT WOS:000354075600045 PM 25884959 ER PT J AU Alikin, DO Ievlev, AV Turygin, AP Lobov, AI Kalinin, SV Shur, VY AF Alikin, D. O. Ievlev, A. V. Turygin, A. P. Lobov, A. I. Kalinin, S. V. Shur, V. Ya. TI Tip-induced domain growth on the non-polar cuts of lithium niobate single-crystals SO APPLIED PHYSICS LETTERS LA English DT Article ID ATOMIC-FORCE MICROSCOPY; FERROELECTRIC DOMAINS; POLARIZATION; SURFACE; LINBO3; LITAO3 AB Currently, ferroelectric materials with designed domain structures are considered as a perspective material for new generation of photonic, data storage, and data processing devices. Application of external electric field is the most convenient way of the domain structure formation. Lots of papers are devoted to the investigation of domain kinetics on polar surface of crystals while the forward growth remains one of the most mysterious stages due to lack of experimental methods allowing to study it. Here, we performed tip-induced polarization reversal on X-and Y-non-polar cuts in single-crystal of congruent lithium niobate which allows us to study the forward growth with high spatial resolution. The revealed difference in the shape and length of domains induced on X-and Y-cuts is beyond previously developed theoretical approaches used for the theoretical consideration of the domains growth at non-polar ferroelectric surfaces. To explain experimental results, we used kinetic approach with anisotropy of screening efficiency along different crystallographic directions. (C) 2015 AIP Publishing LLC. C1 [Alikin, D. O.; Turygin, A. P.; Lobov, A. I.; Shur, V. Ya.] Ural Fed Univ, Inst Nat Sci, Ferroelect Lab, Ekaterinburg 620000, Russia. [Ievlev, A. V.; Kalinin, S. V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Ievlev, A. V.; Kalinin, S. V.] Oak Ridge Natl Lab, Inst Funct Imaging Mat, Oak Ridge, TN 37831 USA. RP Alikin, DO (reprint author), Ural Fed Univ, Inst Nat Sci, Ferroelect Lab, 51 Lenin Ave, Ekaterinburg 620000, Russia. RI Kalinin, Sergei/I-9096-2012; Ievlev, Anton/H-3678-2012; Alikin, Denis/K-7914-2015; OI Kalinin, Sergei/0000-0001-5354-6152; Ievlev, Anton/0000-0003-3645-0508; Alikin, Denis/0000-0001-9330-7463; Turygin, Anton/0000-0002-4843-0662 FU Ministry of Education and Science of the Russian Federation [UID RFMEFI59414X0011]; UrFU development program; CNMS [2013-130]; RFBR [13-02-01391-a]; Government of Sverdlovsk region [13-02-96041-r-Ural-a] FX The equipment of the Ural Center of Shared Use UrFU has been used. The research was made possible in part by the Ministry of Education and Science of the Russian Federation (UID RFMEFI59414X0011) and in part by UrFU development program with the financial support of young scientists. A portion of this research (A.V.I. and S.V.K.) was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. V.Y.S., D.O.A., A.I.L., and A.P.T. acknowledge CNMS user proposal (Project 2013-130), RFBR and the Government of Sverdlovsk region (Grant 13-02-96041-r-Ural-a), and RFBR (Grant 13-02-01391-a). NR 30 TC 7 Z9 7 U1 1 U2 30 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 4 PY 2015 VL 106 IS 18 AR 182902 DI 10.1063/1.4919872 PG 5 WC Physics, Applied SC Physics GA CH8AW UT WOS:000354259200033 ER PT J AU Garcia-Hemme, E Yu, KM Wahnon, P Gonzalez-Diaz, G Walukiewicz, W AF Garcia-Hemme, E. Yu, K. M. Wahnon, P. Gonzalez-Diaz, G. Walukiewicz, W. TI Effects of the d-donor level of vanadium on the properties of Zn1-xVxO films SO APPLIED PHYSICS LETTERS LA English DT Article ID ZNO THIN-FILMS; SEMICONDUCTOR; BAND; ALLOYS; STATES AB We report the effect of d-levels of vanadium atoms on the electronic band structure of ZnO. Polycrystalline layers of Zn1-xVxO with 0 <= x <= 0.08 were synthesized using magnetron sputtering technique. Electrical measurements show that electron concentration increases with vanadium up to x=0.04 and then decreases and films become insulating for x>0.06. Optical characterization reveals that the absorption edge shifts to higher energy, while the photoluminescence (PL) peak shows a shift to lower energy with increasing vanadium content. This unusual optical behavior can be explained by an anticrossing interaction between the vanadium d-levels and the conduction band (CB) of ZnO. The interaction results in an upward shift of unoccupied CB (E+) and the downward shift of the fully occupied E-band derived from the vanadium d-levels. The composition dependence of optical absorption edge (E+) and PL peak (E-) can be fitted using the Band Anticrossing model with the vanadium d-level located at 0.13 eV below CB of ZnO and a coupling constant of 0.65 eV. (C) 2015 AIP Publishing LLC. C1 [Garcia-Hemme, E.; Gonzalez-Diaz, G.] Univ Complutense Madrid, Dept Fis Aplicada Elect & Elect 3, E-28040 Madrid, Spain. [Garcia-Hemme, E.; Wahnon, P.; Gonzalez-Diaz, G.] UCM UPM, Madrid 28040, Spain. [Garcia-Hemme, E.; Yu, K. M.; Walukiewicz, W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Yu, K. M.] City Univ Hong Kong, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China. [Wahnon, P.] Univ Politecn Madrid, ETSI Telecomunicac, Inst Energia Solar, E-28040 Madrid, Spain. [Wahnon, P.] Univ Politecn Madrid, ETSI Telecomunicac, Dept TFB, E-28040 Madrid, Spain. RP Garcia-Hemme, E (reprint author), Univ Complutense Madrid, Dept Fis Aplicada Elect & Elect 3, E-28040 Madrid, Spain. EM eric.garcia@ucm.es RI Garcia-Hemme, Eric/E-6095-2012 OI Garcia-Hemme, Eric/0000-0001-5328-8341 FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; National Center for Electron Microscopy/LBNL [DE-AC02-05CH11231]; MADRID-PV - Comunidad de Madrid [P 2013/MAE-2780]; Spanish MINECO [TEC 2013-41730-R, ENE2013-46624-C4-2]; PICATA Predoctoral Fellowship of the Moncloa Campus of International Excellence (UCM-UPM) FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division and National Center for Electron Microscopy/LBNL, under Contract No. DE-AC02-05CH11231. This work was partially supported by the Project MADRID-PV (P 2013/MAE-2780) funded by the Comunidad de Madrid and the project TEC 2013-41730-R and ENE2013-46624-C4-2 from the Spanish MINECO. E. Garcia-Hemme acknowledges the support by a PICATA Predoctoral Fellowship of the Moncloa Campus of International Excellence (UCM-UPM). NR 20 TC 1 Z9 1 U1 1 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 MAY 4 PY 2015 VL 106 IS 18 AR 182101 DI 10.1063/1.4919791 PG 4 WC Physics, Applied SC Physics GA CH8AW UT WOS:000354259200018 ER PT J AU He, ZR Shaik, S Bi, S Chen, JH Li, DW AF He, Zhengran Shaik, Shoieb Bi, Sheng Chen, Jihua Li, Dawen TI Air-stable solution-processed n-channel organic thin film transistors with polymer-enhanced morphology SO APPLIED PHYSICS LETTERS LA English DT Article ID HIGH-ELECTRON-MOBILITY; HIGH-PERFORMANCE; CRYSTAL-GROWTH; TRANSPORT; SEMICONDUCTORS; BOUNDARY; ORDER AB N,Ns'-1H,1H-perfluorobutyl dicyanoperylenecarboxydiimide (PDIF-CN2) is an n-type semiconductor exhibiting high electron mobility and excellent air stability. However, the reported electron mobility based on spin-coated PDIF-CN2 Zfilm is much lower than the value of PDIF-CN2 single crystals made from vapor phase deposition, indicating significant room for mobility enhancement. In this study, various insulating polymers, including poly(vinyl alcohol), poly(methyl methacrylate) (PMMA), and poly(alpha-methylstyrene) (P alpha MS), are pre-coated on silicon substrate aiming to enhance the morphology of the PDIF-CN2 thin film, thereby improving the charge transport and air stability. Atomic force microscopy images reveal that with the pre-deposition of P alpha MS or PMMA polymers, the morphology of the PDIF-CN2 polycrystalline films is optimized in semiconducting crystal connectivity, domain size, and surface roughness, which leads to significant improvement of organic thin-film transistor (OTFT) performance. Particularly, an electron mobility of up to 0.55 cm(2)/V s has been achieved from OTFTs based on the PDIF-CN2 film with the pre-deposition of P alpha MS polymer. (c) 2015 AIP Publishing LLC. C1 [He, Zhengran; Shaik, Shoieb; Bi, Sheng; Li, Dawen] Univ Alabama, Ctr Mat Informat Technol, Dept Elect & Comp Engn, Tuscaloosa, AL 35487 USA. [Chen, Jihua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Li, DW (reprint author), Univ Alabama, Ctr Mat Informat Technol, Dept Elect & Comp Engn, Tuscaloosa, AL 35487 USA. EM dawenl@eng.ua.edu RI Chen, Jihua/F-1417-2011; He, Zhengran/A-9898-2017 OI Chen, Jihua/0000-0001-6879-5936; FU National Science Foundation [ECCS-1151140, EPS-1158862] FX This work was supported by National Science Foundation ECCS-1151140 and EPS-1158862. A portion of the research work was conducted at the Center for Nanophase NR 24 TC 3 Z9 3 U1 5 U2 40 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 4 PY 2015 VL 106 IS 18 AR 183301 DI 10.1063/1.4919677 PG 5 WC Physics, Applied SC Physics GA CH8AW UT WOS:000354259200047 ER PT J AU Miao, JS Chen, H Liu, F Zhao, BF Hu, LY He, ZC Wu, HB AF Miao, Jingsheng Chen, Hui Liu, Feng Zhao, Baofeng Hu, Lingyu He, Zhicai Wu, Hongbin TI Efficiency enhancement in solution-processed organic small molecule: Fullerene solar cells via solvent vapor annealing SO APPLIED PHYSICS LETTERS LA English DT Article ID POLYMER PHOTOVOLTAIC CELLS; BENZODITHIOPHENE UNIT; PERFORMANCE; 10-PERCENT; LAYER AB We report highly efficient small molecule solar cells (SMSCs) by using dichloromethane solvent vapor annealing method. The resulted devices delivered a power conversion efficiency (PCE) of 8.3%, which is among the highest in SMSCs. Comparing to the control devices, the short circuit current (Jsc), fill factor, and PCE of solvent vapor annealed devices are significantly improved. Summarizing the results of optical absorption, film morphology, and charge carrier transporting properties, we see that the enhanced structure order and reduced size of phase separation are major reasons for the improved device performances, establishing a solid structure-property relationship. The solvent vapor annealing method can thus be a useful method in device fabrication to enhance performances of SMSCs. (c) 2015 AIP Publishing LLC. C1 [Miao, Jingsheng; Chen, Hui; Zhao, Baofeng; Hu, Lingyu; He, Zhicai; Wu, Hongbin] S China Univ Technol, State Key Lab Luminescent Mat & Devices, Inst Polymer Optoelect Mat & Devices, Guangzhou 510640, Guangdong, Peoples R China. [Liu, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Liu, F (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM iamfengliu@gmail.com; hbwu@scut.edu.cn RI Liu, Feng/J-4361-2014 OI Liu, Feng/0000-0002-5572-8512 FU National Nature Science Foundation of China [51225301, 51403066, 91333206, 61177022]; Fundamental Research Funds for the Central Universities [2014ZM001]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0001087] FX H.W. and Z.H. thank the National Nature Science Foundation of China (Nos. 51225301, 51403066, 91333206, and 61177022) and Fundamental Research Funds for the Central Universities (2014ZM001) for the financial support. F.L. thanks Polymer-Based Materials for Harvesting Solar Energy (PHaSE), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Basic Energy Sciences (DE-SC0001087) for the support. NR 28 TC 13 Z9 13 U1 5 U2 63 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 4 PY 2015 VL 106 IS 18 AR 183302 DI 10.1063/1.4919707 PG 5 WC Physics, Applied SC Physics GA CH8AW UT WOS:000354259200048 ER PT J AU Negi, DS Loukya, B Ramasamy, K Gupta, A Datta, R AF Negi, D. S. Loukya, B. Ramasamy, K. Gupta, A. Datta, R. TI Spatially resolved quantitative magnetic order measurement in spinel CuCr2S4 nanocrystals SO APPLIED PHYSICS LETTERS LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPE; CHALCOGENIDE SPINELS; FINE PARTICLES; FREE-IRON; NANOPARTICLES; CLUSTERS; SIZE; NANOMAGNETISM; DICHROISM; BEHAVIOR AB We have utilized spatially resolved high resolution electron energy loss spectroscopy to quantify the relative percentage of ferromagnetic order in the core and the surface regions of CuCr2S4 nanoparticles with nanocube and nanocluster morphology. The organic capping layer is found to play a significant role in restoring magnetic order at the surface. The technique is based on recording the fine features of the Cr L-3 absorption edge and matching them with the theoretical spectra. The nanoscale probing technique we have developed is quite versatile and can be extended to understand magnetic ordering in a number of nanodimensional magnetic materials. (C) 2015 AIP Publishing LLC. C1 [Negi, D. S.; Loukya, B.; Datta, R.] Jawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, Int Ctr Mat Sci, Bangalore 560064, Karnataka, India. [Ramasamy, K.; Gupta, A.] Univ Alabama, Ctr Mat Informat Technol, Tuscaloosa, AL 35487 USA. [Ramasamy, K.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Albuquerque, NM 87123 USA. RP Datta, R (reprint author), Jawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, Int Ctr Mat Sci, Bangalore 560064, Karnataka, India. EM ranjan@jncasr.ac.in FU National Science Foundation [CHE-1012850]; CSIR, India FX The authors at JNCASR sincerely acknowledge Professor C. N. R. Rao for constant support and providing the advanced microscopy facility for this work. The work at the University of Alabama was supported by the National Science Foundation under Grant No. CHE-1012850. D. S. Negi acknowledges the financial support from CSIR, India. NR 57 TC 2 Z9 2 U1 5 U2 24 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 4 PY 2015 VL 106 IS 18 AR 182402 DI 10.1063/1.4919864 PG 5 WC Physics, Applied SC Physics GA CH8AW UT WOS:000354259200024 ER PT J AU Sanders, CE Beaton, DA Reedy, RC Alberi, K AF Sanders, C. E. Beaton, D. A. Reedy, R. C. Alberi, K. TI Fermi energy tuning with light to control doping profiles during epitaxy SO APPLIED PHYSICS LETTERS LA English DT Article ID MOLECULAR-BEAM EPITAXY; V-COMPOUND SEMICONDUCTORS; II-VI; GAAS; GROWTH; SI; REDISTRIBUTION; DEFECTS AB The influence of light stimulation and photogenerated carriers on the process of dopant surface segregation during growth is studied in molecular beam epitaxially grown Si-doped GaAs structures. The magnitude of surface segregation decreases under illumination by above-bandgap photons, wherein splitting of the quasi Fermi levels reduces the band bending at the growth surface and raises the formation energy of compensating defects that can enhance atomic diffusion. We further show that light-stimulated epitaxy can be used as a practical approach to diminish dopant carry-forward in device structures and improve the performance of inverted modulation-doped quantum wells. (C) 2015 AIP Publishing LLC. C1 [Sanders, C. E.; Beaton, D. A.; Reedy, R. C.; Alberi, K.] Natl Renewable Energy Lab, Ctr Mat Sci, Golden, CO 80401 USA. RP Alberi, K (reprint author), Natl Renewable Energy Lab, Ctr Mat Sci, Golden, CO 80401 USA. EM kirstin.alberi@nrel.gov FU Department of Energy Office of Science, Basic Energy Sciences [DE-AC36-08GO28308] FX We acknowledge the financial support of the Department of Energy Office of Science, Basic Energy Sciences under Contract No. DE-AC36-08GO28308. We also thank S.-H. Wei and M. A. Scarpulla for helpful conversations. NR 19 TC 3 Z9 4 U1 0 U2 11 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 4 PY 2015 VL 106 IS 18 AR 182105 DI 10.1063/1.4921047 PG 4 WC Physics, Applied SC Physics GA CH8AW UT WOS:000354259200022 ER PT J AU Wang, WY Klots, A Yang, YM Li, W Kravchenko, II Briggs, DP Bolotin, KI Valentine, J AF Wang, Wenyi Klots, Andrey Yang, Yuanmu Li, Wei Kravchenko, Ivan I. Briggs, Dayrl P. Bolotin, Kirill I. Valentine, Jason TI Enhanced absorption in two-dimensional materials via Fano-resonant photonic crystals SO APPLIED PHYSICS LETTERS LA English DT Article ID ULTRAFAST GRAPHENE PHOTODETECTOR; HIGH RESPONSIVITY; BROAD-BAND AB The use of two-dimensional (2D) materials in optoelectronics has attracted much attention due to their fascinating optical and electrical properties. However, the low optical absorption of 2D materials arising from their atomic thickness limits the maximum attainable external quantum efficiency. For example, in the visible and near-infrared regimes monolayer MoS2 and graphene absorb only similar to 10% and 2.3% of incoming light, respectively. Here, we experimentally demonstrate the use of Fano-resonant photonic crystals to significantly boost absorption in atomically thin materials. Using graphene as a test bed, we demonstrate that absorption in the monolayer thick material can be enhanced to 77% within the telecommunications band, the highest value reported to date. We also show that the absorption in the Fano-resonant structure is non-local, with light propagating up to 16 mu m within the structure. This property is particularly beneficial in harvesting light from large areas in field-effect-transistor based graphene photodetectors in which separation of photo-generated carriers only occurs similar to 0.2 mu m adjacent to the graphene/electrode interface. (C) 2015 AIP Publishing LLC. C1 [Wang, Wenyi] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37212 USA. [Klots, Andrey; Bolotin, Kirill I.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37240 USA. [Yang, Yuanmu] Vanderbilt Univ, Interdisciplinary Mat Sci Program, Nashville, TN 37212 USA. [Li, Wei; Valentine, Jason] Vanderbilt Univ, Dept Mech Engn, Nashville, TN 37212 USA. [Kravchenko, 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 Kravchenko, Ivan/K-3022-2015; Yang, Yuanmu/J-3187-2012; Valentine, Jason/A-6121-2012; Bolotin, Kirill/O-5101-2016; Li, Wei/C-5904-2017 OI Kravchenko, Ivan/0000-0003-4999-5822; Yang, Yuanmu/0000-0002-5264-0822; Li, Wei/0000-0002-2227-9431 FU Vanderbilt University; Office of Naval Research (ONR) [N00014-12-1-0571, N00014-14-1-0475, N00014-13-10299] FX This work was funded by a Vanderbilt University Discovery Grant and the Office of Naval Research (ONR) under programs N00014-12-1-0571, N00014-14-1-0475, and N00014-13-10299. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. A portion of this work was also performed in the Vanderbilt Institute of Nanoscale Science and Engineering (VINSE), we thank the staff for their support. NR 30 TC 9 Z9 10 U1 12 U2 77 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD MAY 4 PY 2015 VL 106 IS 18 AR 181104 DI 10.1063/1.4919760 PG 5 WC Physics, Applied SC Physics GA CH8AW UT WOS:000354259200004 ER PT J AU Koepp, GA Snedden, BJ Levine, JA AF Koepp, Gabriel A. Snedden, Bradley J. Levine, James A. TI Workplace slip, trip and fall injuries and obesity SO ERGONOMICS LA English DT Article DE workplace; obesity; ergonomics; falls; injury ID WORKERS-COMPENSATION; OLDER-PEOPLE; RISK-FACTORS; CARE COSTS; HEALTH; PREVENTION; OVERWEIGHT; ADULTS; ABSENTEEISM; MODEL AB The objective of this study was to examine the relationship between slip, trip and fall injuries and obesity in a population of workers at the Idaho National Laboratory (INL) in Idaho Falls, Idaho. INL is an applied engineering facility dedicated to supporting the US Department of Energy's mission. An analysis was performed on injuries reported to the INL Medical Clinic to determine whether obesity was related to an increase in slip, trip and fall injuries. Records were analysed that spanned a 6-year period (2005-2010), and included 8581 employees (mean age, 47 +/- 11 years and body mass index [BMI], 29 +/- 5 kg/m(2); 34% obesity rate). Of the 189 people who reported slip, trip and fall injuries (mean age, 48 +/- 11 years), 51% were obese (P < 0.001 compared with uninjured employees), and their mean BMI was 31 +/- 6 kg/m(2) (P < 0.001). Obesity in this population was associated with a greater rate of slip, trip and fall injuries. Practitioner Summary: Slip, trip and fall injuries are a major contributor of workplace-related injuries and a great financial burden to employers. This study examines the impact of obesity in slip, trip and fall injuries. The investigation found that obesity was associated with a greater rate of slip, trip and fall injuries. C1 [Snedden, Bradley J.] Idaho Natl Lab, Dept Occupat Med, Idaho Falls, ID 83415 USA. [Koepp, Gabriel A.; Levine, James A.] Mayo Clin, Ctr Obes Solut, Scottsdale, AZ 85259 USA. [Koepp, Gabriel A.; Levine, James A.] Arizona State Univ, Scottsdale, AZ 85259 USA. RP Levine, JA (reprint author), Mayo Clin, Ctr Obes Solut, 13400 E Shea Blvd, Scottsdale, AZ 85259 USA. EM Levine.james@mayo.edu NR 45 TC 2 Z9 2 U1 5 U2 20 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0014-0139 EI 1366-5847 J9 ERGONOMICS JI Ergonomics PD MAY 4 PY 2015 VL 58 IS 5 BP 674 EP 679 DI 10.1080/00140139.2014.985260 PG 6 WC Engineering, Industrial; Ergonomics; Psychology, Applied; Psychology SC Engineering; Psychology GA CI0UI UT WOS:000354453400002 PM 25532054 ER PT J AU Hao, B Naik, AK Watanabe, A Tanaka, H Chen, L Richards, HW Kondo, M Taniuchi, I Kohwi, Y Kohwi-Shigematsu, T Krangel, MS AF Hao, Bingtao Naik, Abani Kanta Watanabe, Akiko Tanaka, Hirokazu Chen, Liang Richards, Hunter W. Kondo, Motonari Taniuchi, Ichiro Kohwi, Yoshinori Kohwi-Shigematsu, Terumi Krangel, Michael S. TI An anti-silencer- and SATB1-dependent chromatin hub regulates Rag1 and Rag2 gene expression during thymocyte development SO JOURNAL OF EXPERIMENTAL MEDICINE LA English DT Article ID STEM-CELL DIFFERENTIATION; CHROMOSOME CONFORMATION; BINDING PROTEIN; TRANSGENIC MICE; MULTIPLE GENES; ELEMENTS 5'; T-CELLS; SATB1; TRANSCRIPTION; ENHANCER AB Rag1 and Rag2 gene expression in CD4(+)CD8(+) double-positive (DP) thymocytes depends on the activity of a distant anti-silencer element (ASE) that counteracts the activity of an intergenic silencer. However, the mechanistic basis for ASE activity is unknown. Here, we show that the ASE physically interacts with the distant Rag1 and Rag2 gene promoters in DP thymocytes, bringing the two promoters together to form an active chromatin hub. Moreover, we show that the ASE functions as a classical enhancer that can potently activate these promoters in the absence of the silencer or other locus elements. In thymocytes lacking the chromatin organizer SATB1, we identified a partial defect in Tcra gene rearrangement that was associated with reduced expression of Rag1 and Rag2 at the DP stage. SATB1 binds to the ASE and Rag promoters, facilitating inclusion of Rag2 in the chromatin hub and the loading of RNA polymerase II to both the Rag1 and Rag2 promoters. Our results provide a novel framework for understanding ASE function and demonstrate a novel role for SATB1 as a regulator of Rag locus organization and gene expression in DP thymocytes. C1 [Hao, Bingtao; Naik, Abani Kanta; Watanabe, Akiko; Chen, Liang; Kondo, Motonari; Krangel, Michael S.] Duke Univ, Med Ctr, Dept Immunol, Durham, NC 27710 USA. [Tanaka, Hirokazu; Taniuchi, Ichiro] RIKEN, Ctr Integrat Med Sci, Yokohama, Kanagawa 2300045, Japan. [Richards, Hunter W.; Kohwi, Yoshinori; Kohwi-Shigematsu, Terumi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Krangel, MS (reprint author), Duke Univ, Med Ctr, Dept Immunol, Durham, NC 27710 USA. EM krang001@mc.duke.edu RI hao, Bingtao/G-6648-2011; Taniuchi, Ichiro/N-6399-2015 OI Taniuchi, Ichiro/0000-0002-9853-9068 FU National Institutes of Health [R37 GM10452, R37 CA39681]; JSPS KAKENHI [24390121]; Leukemia and Lymphoma Society Scholar Award FX This work was supported by National Institutes of Health grants R37 GM10452 (to M.S.K.) and R37 CA39681 (to T.K.S.), by a Grant-in-Aid for Scientific Research (S) and for Scientific Research on Priority Areas (to I.T.), and by grant JSPS KAKENHI 24390121 and a Leukemia and Lymphoma Society Scholar Award (to M.K.). NR 56 TC 5 Z9 5 U1 1 U2 7 PU ROCKEFELLER UNIV PRESS PI NEW YORK PA 950 THIRD AVE, 2ND FLR, NEW YORK, NY 10022 USA SN 0022-1007 EI 1540-9538 J9 J EXP MED JI J. Exp. Med. PD MAY 4 PY 2015 VL 212 IS 5 BP 809 EP 824 DI 10.1084/jem.20142207 PG 16 WC Immunology; Medicine, Research & Experimental SC Immunology; Research & Experimental Medicine GA CH3AO UT WOS:000353898100019 PM 25847946 ER PT J AU Velasquez, SM Ricardi, MM Poulsen, CP Oikawa, A Dilokpimol, A Halim, A Mangano, S Juarez, SPD Marzol, E Salter, JDS Dorosz, JG Borassi, C Moller, SR Buono, R Ohsawa, Y Matsuoka, K Otegui, MS Scheller, HV Geshi, N Petersen, BL Iusem, ND Estevez, JM AF Velasquez, Silvia M. Ricardi, Martiniano M. Poulsen, Christian Peter Oikawa, Ai Dilokpimol, Adiphol Halim, Adnan Mangano, Silvina Denita Juarez, Silvina Paola Marzol, Eliana Salgado Salter, Juan D. Gloazzo Dorosz, Javier Borassi, Cecilia Moller, Svenning Rune Buono, Rafael Ohsawa, Yukiko Matsuoka, Ken Otegui, Marisa S. Scheller, Henrik V. Geshi, Naomi Petersen, Bent Larsen Iusem, Norberto D. Estevez, Jose M. TI Complex Regulation of Prolyl-4-Hydroxylases Impacts Root Hair Expansion SO MOLECULAR PLANT LA English DT Article DE enzymology; cell expansion; cell walls; protein targeting; proline hydroxylation; root hairs ID PLANT-CELL WALL; ALGAL PROLYL 4-HYDROXYLASE; ARABIDOPSIS-THALIANA; ENDOPLASMIC-RETICULUM; PROTEIN; GOLGI; HYDROXYPROLINE; EXTENSIN; IDENTIFICATION; DOMAIN AB Root hairs are single cells that develop by tip growth, a process shared with pollen tubes, axons, and fungal hyphae. However, structural plant cell walls impose constraints to accomplish tip growth. In addition to polysaccharides, plant cell walls are composed of hydroxyproline-rich glycoproteins (HRGPs), which include several groups of O-glycoproteins, including extensins (EXTs). Proline hydroxylation, an early post-translational modification (PTM) of HRGPs catalyzed by prolyl 4-hydroxylases (P4Hs), defines their subsequent O-glycosylation sites. In this work, our genetic analyses prove that P4H5, and to a lesser extent P4H2 and P4H13, are pivotal for root hair tip growth. Second, we demonstrate that P4H5 has in vitro preferred specificity for EXT substrates rather than for other HRGPs. Third, by P4H promoter and protein swapping approaches, we show that P4H2 and P4H13 have interchangeable functions but cannot replace P4H5. These three P4Hs are shown to be targeted to the secretory pathway, where P4H5 forms dimers with P4H2 and P4H13. Finally, we explore the impact of deficient proline hydroxylation on the cell wall architecture. Taken together, our results support a model in which correct peptidyl-proline hydroxylation on EXTs, and possibly in other HRGPs, is required for proper cell wall self-assembly and hence root hair elongation in Arabidopsis thaliana. C1 [Velasquez, Silvia M.; Ricardi, Martiniano M.; Mangano, Silvina; Denita Juarez, Silvina Paola; Marzol, Eliana; Salgado Salter, Juan D.; Gloazzo Dorosz, Javier; Borassi, Cecilia; Iusem, Norberto D.; Estevez, Jose M.] Univ Buenos Aires, Fac Ciencias Exactas & Nat, Inst Fisiol Biol Mol & Neurociencias IFIBYNE, CONICET, Buenos Aires, DF, Argentina. [Poulsen, Christian Peter; Dilokpimol, Adiphol; Moller, Svenning Rune; Geshi, Naomi; Petersen, Bent Larsen] Univ Copenhagen, Dept Plant & Environm Sci, VKR Res Ctr, DK-1871 Frederiksberg C, Denmark. [Oikawa, Ai; Scheller, Henrik V.] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Feedstocks Div, Emeryville, CA 94608 USA. [Halim, Adnan] Univ Copenhagen, Fac Hlth & Med Sci, Dept Cellular & Mol, Copenhagen Ctr Glyc, DK-2200 Copenhagen N, Denmark. [Buono, Rafael; Otegui, Marisa S.] Univ Wisconsin, Dept Bot, Madison, WI 53706 USA. [Ohsawa, Yukiko] RIKEN Plant Sci Ctr, Tsurumi Ku, Yokohama, Kanagawa 2300045, Japan. [Matsuoka, Ken] Kyushu Univ, Lab Plant Nutr, Fac Agr, Higashi Ku, Fukuoka 8128581, Japan. [Iusem, Norberto D.] Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Fisiol Biol Mol & Celular, Buenos Aires, DF, Argentina. RP Estevez, JM (reprint author), Univ Buenos Aires, Fac Ciencias Exactas & Nat, Inst Fisiol Biol Mol & Neurociencias IFIBYNE, CONICET, C1428EGA, Buenos Aires, DF, Argentina. EM jestevez@fbmc.fcen.uba.ar RI Petersen, Bent/H-9437-2014; U-ID, Kyushu/C-5291-2016; moller, svenning rune/O-9048-2016; Scheller, Henrik/A-8106-2008; OI Petersen, Bent/0000-0002-2004-9077; moller, svenning rune/0000-0003-0392-4631; Scheller, Henrik/0000-0002-6702-3560; Iusem, Norberto/0000-0002-3052-2489; Poulsen, Christian/0000-0002-5395-7418; Estevez, Jose/0000-0001-6332-7738 FU ANPCyT [PICT2011-054, PICT2013-003, PICT 2011-967]; CONICET [PIP0071, PIP0342]; Mizutani Foundation for Glycoscience [130004]; Fulbright-CONICET Fellowship; Fulbright-Bunge and Born Fellowship; EMBO short-term fellowship; Danish Agency for Science and Technology [274-09-0082, 2101-07-0071]; Danish Council for Independent Research/Natural Sciences [12-125709]; Danish Council for Strategic Research [12-131859]; Danish National Research Foundation [DNRF107]; METI Japan; NSF [1157824]; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX This work was supported by grants from ANPCyT (PICT2011-054, PICT2013-003 to J.M.E and PICT 2011-967 to N.D.I.), CONICET (PIP0071 to J.M.E. and PIP0342 to N.D.I.), Mizutani Foundation for Glyco-science (Grant 130004 to J.M.E.), Fulbright-CONICET and Fulbright-Bunge and Born Fellowships (to J.M.E and S.M.V, respectively), EMBO short-term fellowship (to M.M.R.), the Danish Agency for Science and Technology (274-09-0082, 2101-07-0071) to N.G., The Danish Council for Independent Research/Natural Sciences (12-125709) and The Danish Council for Strategic Research (12-131859) to B.L.P., The Danish National Research Foundation (DNRF107) to A.H., a research grant from METI Japan (to K.M.), NSF 1157824 (to M.S.O.), and the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the U.S. Department of Energy (to H.V.S. and A.O.). NR 57 TC 7 Z9 7 U1 3 U2 14 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 1674-2052 EI 1752-9867 J9 MOL PLANT JI Mol. Plant. PD MAY 4 PY 2015 VL 8 IS 5 BP 734 EP 746 DI 10.1016/j.molp.2014.11.017 PG 13 WC Biochemistry & Molecular Biology; Plant Sciences SC Biochemistry & Molecular Biology; Plant Sciences GA CH4JH UT WOS:000353999300007 PM 25655826 ER PT J AU Parker, DS Ghimire, N Singleton, J Thompson, JD Bauer, ED Baumbach, R Mandrus, D Li, L Singh, DJ AF Parker, David S. Ghimire, Nirmal Singleton, John Thompson, J. D. Bauer, Eric D. Baumbach, Ryan Mandrus, David Li, Ling Singh, David J. TI Magnetocrystalline anisotropy in UMn2Ge2 and related Mn-based actinide ferromagnets SO PHYSICAL REVIEW B LA English DT Article ID HIDDEN-ORDER; INTERMETALLIC COMPOUNDS; SYMMETRY-BREAKING; FERMI-SURFACE; URU2SI2; PHASE; SUPERCONDUCTIVITY; TRANSITION; SYSTEM; FIELD AB We present magnetization isotherms in pulsed magnetic fields up to 62 T, supported by first-principles calculations, demonstrating a huge uniaxial magnetocrystalline anisotropy energy-approximately 20 MJ/m(3)-in UMn2Ge2. This large anisotropy results from the extremely strong spin-orbit coupling affecting the uranium 5f electrons, which in the calculations exhibit a substantial orbital moment exceeding 2 mu(B). We also find from theoretical calculations that a number of isostructural Mn actinide compounds are expected to have similarly large anisotropy. C1 [Parker, David S.; Mandrus, David; Singh, David J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Ghimire, Nirmal; Singleton, John; Thompson, J. D.; Bauer, Eric D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Baumbach, Ryan] Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Mandrus, David; Li, Ling] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Parker, DS (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. RI Li , Ling /J-3322-2016; OI Li , Ling /0000-0002-2866-8323; Bauer, Eric/0000-0003-0017-1937 FU Critical Materials Institute; Energy Innovation Hub - US Department of Energy, Energy Efficiency and Renewable Energy, Advanced Manufacturing Office; US DOE, Office of Science, Basic Energy Sciences, Materials Science and Engineering, Division; US DOE, OBES, Materials Science and Engineering; NSF [DMR-1410428] FX Work at Oak Ridge National Laboratory was supported by the Critical Materials Institute, an Energy Innovation Hub funded by the US Department of Energy, Energy Efficiency and Renewable Energy, Advanced Manufacturing Office (D.P.), and by the US DOE, Office of Science, Basic Energy Sciences, Materials Science and Engineering, Division (D.M. and D.J.S.). Work at Los Alamos National Laboratory was performed under the auspices of the US DOE, OBES, Materials Science and Engineering. D.M. and L.L. acknowledge support from NSF Grant No. DMR-1410428. NR 29 TC 2 Z9 2 U1 2 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 4 PY 2015 VL 91 IS 17 AR 174401 DI 10.1103/PhysRevB.91.174401 PG 5 WC Physics, Condensed Matter SC Physics GA CH1GS UT WOS:000353770000001 ER PT J AU Reichhardt, C Ray, D Reichhardt, CJO AF Reichhardt, C. Ray, D. Reichhardt, C. J. Olson TI Reversible ratchet effects for vortices in conformal pinning arrays SO PHYSICAL REVIEW B LA English DT Article ID MAGNETIC-FLUX QUANTA; BROWNIAN MOTORS; TRANSPORT; EQUILIBRIUM; REVERSALS; LATTICES; MOTION AB A conformal transformation of a uniform triangular pinning array produces a structure called a conformal crystal which preserves the sixfold ordering of the original lattice but contains a gradient in the pinning density. Here we use numerical simulations to show that vortices in type-II superconductors driven with an ac drive over gradient pinning arrays produce the most pronounced ratchet effect over a wide range of parameters for a conformal array, while square gradient or random gradient arrays with equivalent pinning densities give reduced ratchet effects. In the conformal array, the larger spacing of the pinning sites in the direction transverse to the ac drive permits easy funneling of interstitial vortices for one driving direction, producing the enhanced ratchet effect. In the square array, the transverse spacing between pinning sites is uniform, giving no asymmetry in the funneling of the vortices as the driving direction switches, while in the random array, there are numerous easy-flow channels present for either direction of drive. We find multiple ratchet reversals in the conformal arrays as a function of vortex density and ac amplitude, and correlate the features with a reversal in the vortex ordering, which is greater for motion in the ratchet direction. The enhanced conformal pinning ratchet effect can also be realized for colloidal particles moving over a conformal array, indicating the general usefulness of conformal structures for controlling the motion of particles. C1 [Reichhardt, C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Reichhardt, C (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Reichhardt, Cynthia/0000-0002-3487-5089 FU NNSA of the U.S. DOE at LANL [DE-AC52-06NA25396] FX This work was carried out under the auspices of the NNSA of the U.S. DOE at LANL under Contract No. DE-AC52-06NA25396. NR 56 TC 7 Z9 7 U1 3 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD MAY 4 PY 2015 VL 91 IS 18 AR 184502 DI 10.1103/PhysRevB.91.184502 PG 9 WC Physics, Condensed Matter SC Physics GA CH1HH UT WOS:000353771600002 ER PT J AU Ryu, H Abeykoon, M Wang, KF Lei, HC Lazarevic, N Warren, JB Bozin, ES Popovic, ZV Petrovic, C AF Ryu, Hyejin Abeykoon, Milinda Wang, Kefeng Lei, Hechang Lazarevic, N. Warren, J. B. Bozin, E. S. Popovic, Z. V. Petrovic, C. TI Insulating and metallic spin glass in Ni-doped KxFe2-ySe2 single crystals SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTIVITY; MAGNETISM AB We report electron doping effects by Ni in KxFe2-delta-yNiySe2 (0.06 <= y <= 1.44) single-crystal alloys. A rich ground-state phase diagram is observed. A small amount of Ni (similar to 4%) suppressed superconductivity below 1.8 K, inducing insulating spin-glass magnetic ground state for higher Ni content. With further Ni substitution, metallic resistivity is restored. For high Ni concentration in the lattice the unit cell symmetry is high symmetry I4/mmm with no phase separation whereas both I4/m + I4/mmm space groups were detected in the phase separated crystals when concentration of Ni < Fe. The absence of superconductivity coincides with the absence of crystalline Fe vacancy order. C1 [Ryu, Hyejin; Abeykoon, Milinda; Wang, Kefeng; Lei, Hechang; Bozin, E. S.; Popovic, Z. V.; Petrovic, C.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Ryu, Hyejin; Petrovic, C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Lazarevic, N.; Popovic, Z. V.] Univ Belgrade, Inst Phys Belgrade, Ctr Solid State Phys & New Mat, Belgrade 11080, Serbia. [Warren, J. B.] Brookhaven Natl Lab, Instrument Div, Upton, NY 11973 USA. RP Ryu, H (reprint author), EO Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RI Petrovic, Cedomir/A-8789-2009; LEI, Hechang/H-3278-2016 OI Petrovic, Cedomir/0000-0001-6063-1881; FU U.S. DOE [DE-AC02-98CH10886]; Center for Emergent Superconductivity, an Energy Frontier Research Center - U.S. DOE, Office for Basic Energy Science; Ministry of Education, Science, and Technological Development of Republic of Serbia [ON171032, III45018] FX Work at Brookhaven is supported by the U.S. DOE under Contract No. DE-AC02-98CH10886 and in part by the Center for Emergent Superconductivity, an Energy Frontier Research Center funded by the U.S. DOE, Office for Basic Energy Science (K.W and C.P.). This work was also supported by the Ministry of Education, Science, and Technological Development of Republic of Serbia under Projects No. ON171032 and No. III45018. NR 59 TC 3 Z9 3 U1 2 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD MAY 4 PY 2015 VL 91 IS 18 AR 184503 DI 10.1103/PhysRevB.91.184503 PG 6 WC Physics, Condensed Matter SC Physics GA CH1HH UT WOS:000353771600003 ER PT J AU Carlberg, K AF Carlberg, Kevin TI Adaptive h-refinement for reduced-order models SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE adaptive refinement; h-refinement; model reduction; dual-weighted residual; adjoint error estimation; clustering ID DISCRETE EMPIRICAL INTERPOLATION; PARTIAL-DIFFERENTIAL-EQUATIONS; GRID ADAPTATION; EVOLUTION-EQUATIONS; FUNCTIONAL OUTPUTS; REDUCTION; APPROXIMATIONS; DYNAMICS; FLOWS; BASES AB This work presents a method to adaptively refine reduced-order models a posteriori without requiring additional full-order-model solves. The technique is analogous to mesh-adaptive h-refinement: it enriches the reduced-basis space online by splitting' a given basis vector into several vectors with disjoint support. The splitting scheme is defined by a tree structure constructed offline via recursive k-means clustering of the state variables using snapshot data. The method identifies the vectors to split online using a dual-weighted-residual approach that aims to reduce error in an output quantity of interest. The resulting method generates a hierarchy of subspaces online without requiring large-scale operations or full-order-model solves. Further, it enables the reduced-order model to satisfy any prescribed error tolerance regardless of its original fidelity, as a completely refined reduced-order model is mathematically equivalent to the original full-order model. Experiments on a parameterized inviscid Burgers equation highlight the ability of the method to capture phenomena (e.g., moving shocks) not contained in the span of the original reduced basis. Copyright (c) 2014 John Wiley & Sons, Ltd. C1 Sandia Natl Labs, Quantitat Modeling & Anal Dept, Livermore, CA 94551 USA. RP Carlberg, K (reprint author), Sandia Natl Labs, Quantitat Modeling & Anal Dept, POB 969,MS 9159, Livermore, CA 94551 USA. EM ktcarlb@sandia.gov FU Sandia Corporation under U.S. Department of Energy [DE-AC04-94AL85000] FX The author acknowledges Matthew Zahr for providing the model-reduction testbed that was modified to generate the numerical results, Seshadhri Comandur for helpful discussions related to tree construction and clustering, and the anonymous reviewers for providing insightful remarks and suggestions. 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 U.S. Department of Energy Contract No. DE-AC04-94AL85000. NR 39 TC 6 Z9 6 U1 0 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0029-5981 EI 1097-0207 J9 INT J NUMER METH ENG JI Int. J. Numer. Methods Eng. PD MAY 4 PY 2015 VL 102 IS 5 SI SI BP 1192 EP 1210 DI 10.1002/nme.4800 PG 19 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA CF9CQ UT WOS:000352859600011 ER PT J AU Backlund, PB Shahan, DW Seepersad, CC AF Backlund, Peter B. Shahan, David W. Seepersad, Carolyn Conner TI Classifier-guided sampling for discrete variable, discontinuous design space exploration: Convergence and computational performance SO ENGINEERING OPTIMIZATION LA English DT Article DE direct search; sequential sampling; classifier-guided sampling; stochastic optimization; Bayesian classification; metamodelling ID BLACK-BOX FUNCTIONS; GLOBAL OPTIMIZATION; METAMODELING TECHNIQUES; APPROXIMATION; REGRESSION; SUPPORT; NETWORKS AB A classifier-guided sampling (CGS) method is introduced for solving engineering design optimization problems with discrete and/or continuous variables and continuous and/or discontinuous responses. The method merges concepts from metamodel-guided sampling and population-based optimization algorithms. The CGS method uses a Bayesian network classifier for predicting the performance of new designs based on a set of known observations or training points. Unlike most metamodelling techniques, however, the classifier assigns a categorical class label to a new design, rather than predicting the resulting response in continuous space, and thereby accommodates non-differentiable and discontinuous functions of discrete or categorical variables. The CGS method uses these classifiers to guide a population-based sampling process towards combinations of discrete and/or continuous variable values with a high probability of yielding preferred performance. Accordingly, the CGS method is appropriate for discrete/discontinuous design problems that are ill suited for conventional metamodelling techniques and too computationally expensive to be solved by population-based algorithms alone. The rates of convergence and computational properties of the CGS method are investigated when applied to a set of discrete variable optimization problems. Results show that the CGS method significantly improves the rate of convergence towards known global optima, on average, compared with genetic algorithms. C1 [Backlund, Peter B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Shahan, David W.] HRL Labs LLC, Malibu, CA USA. [Seepersad, Carolyn Conner] Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA. RP Seepersad, CC (reprint author), Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA. EM ccseepersad@mail.utexas.edu FU Office of Naval Research of the Electric Ship Research and Development Consortium FX Support from the Office of Naval Research under the auspices of the Electric Ship Research and Development Consortium is gratefully acknowledged. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the sponsors. NR 37 TC 4 Z9 4 U1 1 U2 22 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0305-215X EI 1029-0273 J9 ENG OPTIMIZ JI Eng. Optimiz. PD MAY 4 PY 2015 VL 47 IS 5 BP 579 EP 600 DI 10.1080/0305215X.2014.908869 PG 22 WC Engineering, Multidisciplinary; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA CC0QZ UT WOS:000350042100001 ER PT J AU Yatsalo, B Didenko, V Gritsyuk, S Sullivan, T AF Yatsalo, Boris Didenko, Vladimir Gritsyuk, Sergey Sullivan, Terry TI Decerns: A Framework for Multi-Criteria Decision Analysis SO INTERNATIONAL JOURNAL OF COMPUTATIONAL INTELLIGENCE SYSTEMS LA English DT Article DE MCDA systems; Multi-Criteria Decision Analysis; Risk Management; Spatial Decision Support Systems; Uncertainty analysis; Land-use Planning ID GEOGRAPHICAL INFORMATION-SYSTEMS; SUPPLIER SELECTION; RISK-ASSESSMENT; FUZZY AHP; TOPSIS; GIS; PROMETHEE; ALTERNATIVES; METHODOLOGY; WEIGHTS AB A new framework, Decerns, for multicriteria decision analysis (MCDA) of a wide range of practical problems on risk management is introduced. Decerns framework contains a library of modules that are the basis for two scalable systems: DecernsMCDA for analysis of multicriteria problems, and DecernsSDSS for multicriteria analysis of spatial options. DecernsMCDA includes well known MCDA methods and original methods for uncertainty treatment based on probabilistic approaches and fuzzy numbers. These MCDA methods are described along with a case study on analysis of multicriteria location problem. C1 [Yatsalo, Boris; Didenko, Vladimir; Gritsyuk, Sergey] Natl Res Nucl Univ MEPHI IATE NRNU MEPHI, Dept Informat Syst, Obninsk, Russia. [Sullivan, Terry] Brookhaven Natl Lab, Environm Res & Technol Div, Upton, NY 11973 USA. RP Yatsalo, B (reprint author), Natl Res Nucl Univ MEPHI IATE NRNU MEPHI, Dept Informat Syst, Studgorodok 1, Obninsk, Russia. EM yatsalo@gmail.com; vdidenko74@gmail.com; s.gritsyuk@gmail.com; tsullivan@bnl.gov NR 64 TC 4 Z9 5 U1 4 U2 33 PU ATLANTIS PRESS PI PARIS PA 29 AVENUE LAUMIERE, PARIS, 75019, FRANCE SN 1875-6891 EI 1875-6883 J9 INT J COMPUT INT SYS JI Int. J. Comput. Intell. Syst. PD MAY 4 PY 2015 VL 8 IS 3 BP 467 EP 489 DI 10.1080/18756891.2015.1023586 PG 23 WC Computer Science, Artificial Intelligence; Computer Science, Interdisciplinary Applications SC Computer Science GA CC0NA UT WOS:000350031300001 ER PT J AU Sigdel, T Salomonis, N Nicora, C He, J Qian, WJ Camp, D Sarwal, M AF Sigdel, T. Salomonis, N. Nicora, C. He, J. Qian, W. -J. Camp, D. Sarwal, M. TI Potential Urine Protein Biomarkers for Kidney Transplantation Dysfunction Through Quantitative Proteomics SO AMERICAN JOURNAL OF TRANSPLANTATION LA English DT Meeting Abstract CT American Transplant Congress CY MAY 02-06, 2015 CL Philadelphia, PA C1 [Sigdel, T.; Sarwal, M.] UCSF, San Francisco, CA USA. [Salomonis, N.] Cincinnati Childrens Hosp Med Ctr, Cincinnati, OH 45229 USA. [Nicora, C.; He, J.; Qian, W. -J.; Camp, D.] Pacific NW Natl Lab, Richland, WA 99352 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1600-6135 EI 1600-6143 J9 AM J TRANSPLANT JI Am. J. Transplant. PD MAY PY 2015 VL 15 SU 3 SI SI MA 1524 PG 1 WC Surgery; Transplantation SC Surgery; Transplantation GA DD7SK UT WOS:000370124201406 ER PT J AU Sigdel, T Ng, Y Lee, S Nicora, C Qian, WJ Ii, DC Sarwal, M AF Sigdel, T. Ng, Y. Lee, S. Nicora, C. Qian, W. -J. Ii, D. Camp Sarwal, M. TI Pertubations in the Urinary Exosome in Transplant Rejection SO AMERICAN JOURNAL OF TRANSPLANTATION LA English DT Meeting Abstract CT American Transplant Congress CY MAY 02-06, 2015 CL Philadelphia, PA C1 [Sigdel, T.; Ng, Y.; Sarwal, M.] UC San Francisco, Surg, San Francisco, CA USA. [Lee, S.] Kyung Hee Univ, Nephrol, Seoul, South Korea. [Nicora, C.; Qian, W. -J.; Ii, D. Camp] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1600-6135 EI 1600-6143 J9 AM J TRANSPLANT JI Am. J. Transplant. PD MAY PY 2015 VL 15 SU 3 SI SI MA 1601 PG 1 WC Surgery; Transplantation SC Surgery; Transplantation GA DD7SK UT WOS:000370124200539 ER PT J AU Liu, QR Jung, CH Lee, DY Tiwari, D AF Liu, Qingrui Jung, Changhee Lee, Dongyoon Tiwari, Devesh TI Clover: Compiler Directed Lightweight Soft Error Resilience SO ACM SIGPLAN NOTICES LA English DT Article; Proceedings Paper CT ACM SIGPLAN/SIGBED Conference on Languages, Compilers and Tools for Embedded Systems (LCTES 15) CY JUN 18-19, 2015 CL Portland, OR DE Terms Reliability; Languages; Soft Error Resilience; Compilers; Tail-DMR Frontier; Idempotent Processing; Acoustic Wave Detectors ID MICROPROCESSORS; RELIABILITY; RECOVERY; SYSTEMS; DESIGN; CORES; COST AB This paper presents Clover, a compiler directed soft error detection and recovery scheme for lightweight soft error resilience. The compiler carefully generates soft error tolerant code based on idem-potent processing without explicit checkpoint. During program execution, Clover relies on a small number of acoustic wave detectors deployed in the processor to identify soft errors by sensing the wave made by a particle strike. To cope with DUE (detected unrecoverable errors) caused by the sensing latency of error detection, Clover leverages a novel selective instruction duplication technique called tail-DMR (dual modular redundancy). Once a soft error is detected by either the sensor or the tail-DMR, Clover takes care of the error as in the case of exception handling. To recover from the error, Clover simply redirects program control to the beginning of the code region where the error is detected. The experiment results demonstrate that the average runtime overhead is only 26%, which is a 75% reduction compared to that of the state-of-the-art soft error resilience technique. C1 [Liu, Qingrui; Jung, Changhee; Lee, Dongyoon] Virginia Tech, Blacksburg, VA 24061 USA. [Tiwari, Devesh] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Liu, QR (reprint author), Virginia Tech, Blacksburg, VA 24061 USA. EM lqingrui@vt.edu; chjung@vt.edu; dongyoon@vt.edu; tiwari@ornl.gov FU Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory; U.S. DOE [DE-AC05-00OR22725] FX The authors would like to thank the anonymous referees for their valuable comments. This work was in part supported by the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is managed by UT Battelle, LLC for the U.S. DOE (under the contract No. DE-AC05-00OR22725). NR 37 TC 0 Z9 0 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0362-1340 EI 1558-1160 J9 ACM SIGPLAN NOTICES JI ACM Sigplan Not. PD MAY PY 2015 VL 50 IS 5 DI 10.1145/2670529.2754959 PG 10 WC Computer Science, Software Engineering SC Computer Science GA DE8HB UT WOS:000370875500002 ER PT J AU Coisson, P Lognonne, P Walwer, D Rolland, LM AF Coisson, Pierdavide Lognonne, Philippe Walwer, Damian Rolland, Lucie M. TI First tsunami gravity wave detection in ionospheric radio occultation data SO EARTH AND SPACE SCIENCE LA English DT Article ID TOHOKU-OKI TSUNAMI; PACIFIC COAST; GPS NETWORK; EARTH MODEL; DISTURBANCES; ATMOSPHERE; THERMOSPHERE; OSCILLATIONS; RADAR AB After the 11 March 2011 earthquake and tsunami off the coast of Tohoku, the ionospheric signature of the displacements induced in the overlying atmosphere has been observed by ground stations in various regions of the Pacific Ocean. We analyze here the data of radio occultation satellites, detecting the tsunami-driven gravity wave for the first time using a fully space-based ionospheric observation system. One satellite of the Constellation Observing System for Meteorology, Ionosphere and Climate (COSMIC) recorded an occultation in the region above the tsunami 2.5 h after the earthquake. The ionosphere was sounded from top to bottom, thus providing the vertical structure of the gravity wave excited by the tsunami propagation, observed as oscillations of the ionospheric Total Electron Content (TEC). The observed vertical wavelength was about 50 km, with maximum amplitude exceeding 1 total electron content unit when the occultation reached 200 km height. We compared the observations with synthetic data obtained by summation of the tsunami-coupled gravity normal modes of the Earth/Ocean/atmosphere system, which models the associated motion of the ionosphere plasma. These results provide experimental constraints on the attenuation of the gravity wave with altitude due to atmosphere viscosity, improving the understanding of the propagation of tsunami-driven gravity waves in the upper atmosphere. They demonstrate that the amplitude of the tsunami can be estimated to within 20% by the recorded ionospheric data. C1 [Coisson, Pierdavide; Lognonne, Philippe; Walwer, Damian; Rolland, Lucie M.] Univ Paris Diderot, Sorbonne Paris Cite, CNRS, Inst Phys Globe Paris, Paris, France. [Rolland, Lucie M.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Coisson, P (reprint author), Univ Paris Diderot, Sorbonne Paris Cite, CNRS, Inst Phys Globe Paris, Paris, France. EM coisson@ipgp.fr RI Lognonne, Philippe/F-8846-2010; Rolland, Lucie/C-8585-2013; Coisson, Pierdavide/C-5942-2012 OI Coisson, Pierdavide/0000-0003-4155-2111 NR 41 TC 9 Z9 9 U1 1 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2333-5084 J9 EARTH SPACE SCI JI Earth Space Sci. PD MAY PY 2015 VL 2 IS 5 BP 125 EP 133 DI 10.1002/2014EA000054 PG 9 WC Geosciences, Multidisciplinary SC Geology GA DE6NG UT WOS:000370750000001 ER PT J AU Noh, JH Joshi, PC Kuruganti, T Rack, PD AF Noh, Joo Hyon Joshi, Pooran C. Kuruganti, Teja Rack, Philip D. TI Pulse Thermal Processing for Low Thermal Budget Integration of IGZO Thin Film Transistors SO IEEE JOURNAL OF THE ELECTRON DEVICES SOCIETY LA English DT Article DE Thin film transistors; thin film; pulse thermal annealing ID AMORPHOUS OXIDE SEMICONDUCTORS; PLASMA-JET IRRADIATION; TFTS; PERFORMANCE; SUBSTRATE; FOIL; SI AB Pulse thermal processing (PTP) has been explored for low thermal budget integration of indium gallium zinc oxide (IGZO) thin film transistors (TFTs). The IGZO TFTs are exposed to a broadband (0.2-1.4 mu m) arc lamp radiation spectrum with 100 pulses of 1 m pulse width. With power density of 3.95 kW/cm(2) and 0.1 s total irradiation time, the PTP treated IGZO TFTs showed comparable or improved switching and bias stability properties, at significantly lower thermal budget, to furnace annealed IGZO TFT. The typical field effect mobility mu FE, threshold voltage VT, and sub-threshold gate swing S.S were calculated to be 7.8 cm(2)/V.s, 8.1 V, and 0.22 V/decade, respectively. The observed performance shows promise for low thermal budget TFT integration on flexible substrates exploiting the large-area, scalable PTP technology. C1 [Noh, Joo Hyon; Rack, Philip D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Joshi, Pooran C.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Kuruganti, Teja] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. [Rack, Philip D.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Rack, PD (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM prack@utk.edu OI Rack, Philip/0000-0002-9964-3254 NR 27 TC 0 Z9 0 U1 4 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2168-6734 J9 IEEE J ELECTRON DEVI JI IEEE J. Electron Devices Soc. PD MAY PY 2015 VL 3 IS 3 BP 297 EP 301 DI 10.1109/JEDS.2014.2376411 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA DD4HZ UT WOS:000369884400029 ER PT J AU Boggs, PT Gay, DM Nash, SG AF Boggs, Paul T. Gay, David M. Nash, Stephen G. TI Using Discrete and Continuous Models to Solve Nanoporous Flow Optimization Problems SO NUMERICAL MATHEMATICS-THEORY METHODS AND APPLICATIONS LA English DT Article; Proceedings Paper CT Weizmann Workshop on Multilevel Computational Methods and Optimization CY APR 30-MAY 02, 2013 CL Rehovot, ISRAEL DE Multigrid Optimization; Multilevel Optimization; Nonlinear Optimization; Complex Hierarchical Optimization ID ALGORITHMS; NETWORK AB We consider using a discrete network model in combination with continuous nonlinear optimization models to solve the problem of optimizing channels in nanoporous materials. The problem and the hierarchical optimization algorithm are described in [2]. A key feature of the model is the fact that we use the edges of the finite element grid as the locations of the channels. The focus here is on the use of the discrete model within that algorithm. We develop several approximations to the relevant flow and a greedy algorithm for quickly generating a "good" tree connecting all of the nodes in the finite-element mesh to a designated root node. We also consider Metropolis-Hastings (MH) improvements to the greedy result. We consider both a regular triangulation and a Delaunay triangulation of the region, and present some numerical results. C1 [Boggs, Paul T.] Sandia Natl Labs, Livermore, CA 94551 USA. [Gay, David M.] AMPL Optimizat Inc, Albuquerque, NM 87108 USA. [Nash, Stephen G.] George Mason Univ, Fairfax, VA 22030 USA. RP Nash, SG (reprint author), George Mason Univ, MS 5C8, Fairfax, VA 22030 USA. EM paulboggs@comcast.net; dmg@ampl.com; snash@gmu.edu FU Department of Energy Office of Advanced Scientific Computing Research [10-014804, DESC-0001691]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank our colleague, Robert Nilson, for his help with the physics of the network approximations in Section 3. The authors would also like to acknowledge support by the Department of Energy Office of Advanced Scientific Computing Research under contract 10-014804 and award DESC-0001691.; 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 16 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA EDINBURGH BLDG, SHAFTESBURY RD, CB2 8RU CAMBRIDGE, ENGLAND SN 1004-8979 EI 2079-7338 J9 NUMER MATH-THEORY ME JI Numer. Math.-Theory Methods Appl. PD MAY PY 2015 VL 8 IS 2 BP 149 EP 167 DI 10.4208/nmtma.2015.w13si PG 19 WC Mathematics, Applied; Mathematics SC Mathematics GA DB2LU UT WOS:000368341000002 ER PT J AU Ranshous, S Shen, ST Koutra, D Harenberg, S Faloutsos, C Samatova, NF AF Ranshous, Stephen Shen, Shitian Koutra, Danai Harenberg, Steve Faloutsos, Christos Samatova, Nagiza F. TI Anomaly detection in dynamic networks: a survey SO WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL STATISTICS LA English DT Review DE anomaly detection; dynamic networks; outlier detection; graph mining; dynamic network anomaly detection; network anomaly detection ID SINGULAR VALUE DECOMPOSITION; HIGH-DIMENSIONAL DATA; OUTLIER DETECTION; TENSOR DECOMPOSITIONS; STREAMS; GRAPHS AB Anomaly detection is an important problem with multiple applications, and thus has been studied for decades in various research domains. In the past decade there has been a growing interest in anomaly detection in data represented as networks, or graphs, largely because of their robust expressiveness and their natural ability to represent complex relationships. Originally, techniques focused on anomaly detection in static graphs, which do not change and are capable of representing only a single snapshot of data. As real-world networks are constantly changing, there has been a shift in focus to dynamic graphs, which evolve over time. In this survey, we aim to provide a comprehensive overview of anomaly detection in dynamic networks, concentrating on the state-of-the-art methods. We first describe four types of anomalies that arise in dynamic networks, providing an intuitive explanation, applications, and a concrete example for each. Having established an idea for what constitutes an anomaly, a general two-stage approach to anomaly detection in dynamic networks that is common among the methods is presented. We then construct a two-tiered taxonomy, first partitioning the methods based on the intuition behind their approach, and subsequently subdividing them based on the types of anomalies they detect. Within each of the tier one categories-community, compression, decomposition, distance, and probabilistic model based-we highlight the major similarities and differences, showing the wealth of techniques derived from similar conceptual approaches. (C) 2015 The Authors. WIREs Computational Statistics published by Wiley Periodicals, Inc. C1 [Ranshous, Stephen; Shen, Shitian; Harenberg, Steve; Samatova, Nagiza F.] N Carolina State Univ, Dept Comp Sci, Raleigh, NC 27695 USA. [Ranshous, Stephen; Shen, Shitian; Harenberg, Steve; Samatova, Nagiza F.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. [Koutra, Danai; Faloutsos, Christos] Carnegie Mellon Univ, Dept Comp Sci, Pittsburgh, PA 15213 USA. RP Samatova, NF (reprint author), N Carolina State Univ, Dept Comp Sci, Raleigh, NC 27695 USA. EM samatova@csc.ncsu.edu NR 129 TC 12 Z9 12 U1 1 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1939-0068 J9 WIRES COMPUT STAT JI Wiley Interdiscip. Rev.-Comput. Stat. PD MAY-JUN PY 2015 VL 7 IS 3 BP 223 EP 247 DI 10.1002/wics.1347 PG 25 WC Statistics & Probability SC Mathematics GA CZ3OU UT WOS:000367014700006 ER PT J AU Lorenz, H Rosberg, JE Juhlin, C Bjelm, L Almqvist, BSG Berthet, T Conze, R Gee, DG Klonowska, I Pascal, C Pedersen, K Roberts, NMW Tsang, CF AF Lorenz, H. Rosberg, J. -E. Juhlin, C. Bjelm, L. Almqvist, B. S. G. Berthet, T. Conze, R. Gee, D. G. Klonowska, I. Pascal, C. Pedersen, K. Roberts, N. M. W. Tsang, C. -F. TI COSC-1 - drilling of a subduction-related allochthon in the Palaeozoic Caledonide orogen of Scandinavia SO SCIENTIFIC DRILLING LA English DT Article ID CONDUCTIVITY LOGGING METHOD; SWEDISH CALEDONIDES; METAMORPHISM; EVOLUTION; WEDGE; PB AB The Collisional Orogeny in the Scandinavian Caledonides (COSC) scientific drilling project focuses on mountain building processes in a major mid-Palaeozoic orogen in western Scandinavia and its comparison with modern analogues. The project investigates the subduction-generated Seve Nape Complex. These in part under ultra-high-pressure conditions metamorphosed outer continental margin and continent-ocean transition zone assemblages were emplaced onto the Baltoscandian platform and there influenced the underlying allochthons and the basement. COSC-1 is the first of two ca. 2.5 km deep, fully cored drill holes located in the vicinity of the abandoned Froa mine, close to the town of Are in Jamtland, central Sweden. It sampled a thick section of the lower part of the Seve Complex and was planned to penetrate its basal thrust zone into the underlying lower-grade metamorphosed allochthon. The drill hole reached a depth of 2495.8m and nearly 100% core recovery was achieved. Although planning was based on existing geological mapping and new high-resolution seismic surveys, the drilling resulted in some surprises: the Lower Seve Nappe proved to be composed of rather homogenous gneisses, with only subordinate mafic bodies, and its basal thrust zone was unexpectedly thick (>800 m). The drill hole did not penetrate the bottom of the thrust zone. However, lower-grade metasedimentary rocks were encountered in the lowermost part of the drill hole together with garnetiferous mylonites tens of metres thick. The tectonostratigraphic position is still unclear, and geological and geophysical interpretations are under revision. The compact gneisses host only eight fluid conducting zones of limited transmissivity between 300m and total depth. Downhole measurements suggest an uncorrected average geothermal gradient of similar to 20 degrees C km(-1). This paper summarizes the operations and preliminary results from COSC-1 (ICDP 5054-1-A), drilled from early May to late August 2014, and is complemented by a detailed operational report and the data repository. C1 [Lorenz, H.; Juhlin, C.; Almqvist, B. S. G.; Berthet, T.; Gee, D. G.; Klonowska, I.; Tsang, C. -F.] Uppsala Univ, Dept Earth Sci, S-75236 Uppsala, Sweden. [Rosberg, J. -E.; Bjelm, L.] Lund Univ, Engn Geol, S-22100 Lund, Sweden. [Conze, R.] GFZ German Res Ctr Geosci, D-14473 Potsdam, Germany. [Pascal, C.] Ruhr Univ Bochum, Inst Geol Mineral & Geophys, D-44780 Bochum, Germany. [Pedersen, K.] Chalmers, Dept Civil & Environm Engn, S-41296 Gothenburg, Sweden. [Roberts, N. M. W.] British Geol Survey, NERC Isotope Geosci Lab, Nottingham NG12 5GG, England. [Tsang, C. -F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Lorenz, H (reprint author), Uppsala Univ, Dept Earth Sci, Villavagen 16, S-75236 Uppsala, Sweden. EM henning.lorenz@geo.uu.se RI Roberts, Nick/C-2694-2008; OI Roberts, Nick/0000-0001-8272-5432; Klonowska, Iwona/0000-0001-7346-1770; Lorenz, Henning/0000-0001-6095-2941; Berthet, Theo/0000-0002-8796-1407 NR 36 TC 7 Z9 7 U1 0 U2 0 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1816-8957 EI 1816-3459 J9 SCI DRILL JI Sci. Drill. PD MAY PY 2015 VL 19 BP 1 EP 11 DI 10.5194/sd-19-1-2015 PG 11 WC Geosciences, Multidisciplinary SC Geology GA CY6GJ UT WOS:000366506400001 ER PT J AU Kieft, TL Onstott, TC Ahonen, L Aloisi, V Colwell, FS Engelen, B Fendrihan, S Gaidos, E Harms, U Head, I Kallmeyer, J Reese, BK Lin, LH Long, PE Moser, DP Mills, H Sar, P Schulze-Makuch, D Stan-Lotter, H Wagner, D Wang, PL Westall, F Wilkins, MJ AF Kieft, T. L. Onstott, T. C. Ahonen, L. Aloisi, V. Colwell, F. S. Engelen, B. Fendrihan, S. Gaidos, E. Harms, U. Head, I. Kallmeyer, J. Reese, B. Kiel Lin, L. -H. Long, P. E. Moser, D. P. Mills, H. Sar, P. Schulze-Makuch, D. Stan-Lotter, H. Wagner, D. Wang, P. -L. Westall, F. Wilkins, M. J. TI Workshop to develop deep-life continental scientific drilling projects SO SCIENTIFIC DRILLING LA English DT Article ID SUBSURFACE MICROBIAL COMMUNITIES; SEDIMENTS; ROCK; GROUNDWATER; DIVERSITY; WATERS; OLKILUOTO; BACTERIA; AQUIFERS; HYDROGEN AB The International Continental Scientific Drilling Program (ICDP) has long espoused studies of deep subsurface life, and has targeted fundamental questions regarding subsurface life, including the following: "(1) What is the extent and diversity of deep microbial life and what are the factors limiting it? (2) What are the types of metabolism/carbon/energy sources and the rates of subsurface activity? (3) How is deep microbial life adapted to subsurface conditions? (4) How do subsurface microbial communities affect energy resources? And (5) how does the deep biosphere interact with the geosphere and atmosphere?" (Horsfield et al., 2014) Many ICDP-sponsored drilling projects have included a deep-life component; however, to date, not one project has been driven by deep-life goals, in part because geomicrobiologists have been slow to initiate deep biosphere-driven ICDP projects. Therefore, the Deep Carbon Observatory (DCO) recently partnered with the ICDP to sponsor a workshop with the specific aim of gathering potential proponents for deep-life-driven ICDP projects and ideas for candidate drilling sites. Twenty-two participants from nine countries proposed projects and sites that included compressional and extensional tectonic environments, evaporites, hydrocarbon-rich shales, flood basalts, Precambrian shield rocks, subglacial and subpermafrost environments, active volcano-tectonic systems, megafan deltas, and serpentinizing ultramafic environments. The criteria and requirements for successful ICDP applications were presented. Deep-life-specific technical requirements were discussed and it was concluded that, while these procedures require adequate planning, they are entirely compatible with the sampling needs of other disciplines. As a result of this workshop, one drilling workshop proposal on the Basin and Range Physiographic Province (BRPP) has been submitted to the ICDP, and several other drilling project proponents plan to submit proposals for ICDP-sponsored drilling workshops in 2016. C1 [Kieft, T. L.] New Mexico Inst Min & Technol, Dept Biol, Socorro, NM 87801 USA. [Onstott, T. C.] Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. [Ahonen, L.] Geol Survey Finland, Espoo 02151, Finland. [Aloisi, V.] Univ Paris 06, Lab Oceanog Dynam & Climatol, F-75252 Paris 05, France. [Colwell, F. S.] Oregon State Univ, Coll Earth Ocean & Atmospher Sci, Corvallis, OR 97331 USA. [Engelen, B.] Carl von Ossietzky Univ Oldenburg, Inst Chem & Biol Marine Environm, D-26111 Oldenburg, Germany. [Fendrihan, S.] Romanian Bioresources Ctr, Sect 6, Bucharest, Romania. [Gaidos, E.] Univ Hawaii Manoa, Dept Geol & Geophys, Honolulu, HI 96822 USA. [Harms, U.] GFZ German Res Ctr Geosci, Helmholtz Ctr Potsdam, Int Sci Drilling Program, D-14473 Potsdam, Germany. [Head, I.] Newcastle Univ, Civil Engn & Geosci, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. [Kallmeyer, J.; Wagner, D.] GFZ German Res Ctr Geosci, Helmholtz Ctr Potsdam, D-14473 Potsdam, Germany. [Reese, B. Kiel] Texas A&M Univ, Dept Life Sci, Corpus Christi, TX 78412 USA. [Lin, L. -H.] Natl Taiwan Univ, Dept Geosci, Taipei 106, Taiwan. [Long, P. E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Mills, H.] Univ Houston Clear Lake, Sch Sci & Comp Engn, Div Nat Sci, Houston, TX 77058 USA. [Moser, D. P.] Desert Res Inst, Div Earth & Ecosyst Sci, Las Vegas, NV 89119 USA. [Sar, P.] Indian Inst Technol, Dept Biotechnol, Kharagpur 721302, W Bengal, India. [Schulze-Makuch, D.] Tech Univ Berlin, Berlin, Germany. [Schulze-Makuch, D.] Washington State Univ, Pullman, WA 99164 USA. [Stan-Lotter, H.] Salzburg Univ, Div Mol Biol, A-5020 Salzburg, Austria. [Wang, P. -L.] Natl Taiwan Univ, Inst Oceanog, Taipei 106, Taiwan. [Westall, F.] CNRS, Ctr Biophys Mol, UPR 4301, F-45071 Orleans 2, France. [Wilkins, M. J.] Ohio State Univ, Sch Earth Sci, Columbus, OH 43210 USA. [Wilkins, M. J.] Ohio State Univ, Dept Microbiol, Columbus, OH 43210 USA. RP Kieft, TL (reprint author), New Mexico Inst Min & Technol, Dept Biol, Socorro, NM 87801 USA. EM tkieft@nmt.edu RI Long, Philip/F-5728-2013; OI Long, Philip/0000-0003-4152-5682; Lin, Li-Hung/0000-0002-0985-1464; Schulze-Makuch, Dirk/0000-0002-1923-9746; Head, Ian/0000-0002-5373-162X FU Natural Environment Research Council [NE/E01657X/1, NE/J024325/1] NR 60 TC 4 Z9 4 U1 1 U2 7 PU COPERNICUS GESELLSCHAFT MBH PI GOTTINGEN PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY SN 1816-8957 EI 1816-3459 J9 SCI DRILL JI Sci. Drill. PD MAY PY 2015 VL 19 BP 43 EP 53 DI 10.5194/sd-19-43-2015 PG 11 WC Geosciences, Multidisciplinary SC Geology GA CY6GJ UT WOS:000366506400007 ER PT J AU Mustafi, D Ward, J Dougherty, U Bissonnette, M Hart, J Vogt, S Karczmar, GS AF Mustafi, Devkumar Ward, Jesse Dougherty, Urszula Bissonnette, Marc Hart, John Vogt, Stefan Karczmar, Gregory S. TI X-Ray Fluorescence Microscopy Demonstrates Preferential Accumulation of a Vanadium-Based Magnetic Resonance Imaging Contrast Agent in Murine Colonic Tumors SO MOLECULAR IMAGING LA English DT Article ID CANCER CELLS; IN-VIVO; SULFATE; CARCINOGENESIS; COLONOGRAPHY; COLITIS; MODEL; RISK; CT AB Contrast agents that specifically enhance cancers on magnetic resonance imaging (MRI) will allow earlier detection. Vanadium-based chelates (VCs) selectively enhance rodent cancers on MRI, suggesting selective uptake of VCs by cancers. Here we report x-ray fluorescence microscopy (XFM) of VC uptake by murine colon cancer. Colonic tumors in mice treated with azoxymethane/dextran sulfate sodium were identified by MRI. Then a gadolinium- based contrast agent and a VC were injected intravenously; mice were sacrificed and colons sectioned. VC distribution was sampled at 120 minutes after injection to evaluate the long-term accumulation. Gadolinium distribution was sampled at 10 minutes after injection due to its rapid washout. XFM was performed on 72 regions of normal and cancerous colon from five normal mice and four cancer-bearing mice. XFM showed that all gadolinium was extracellular, with similar concentrations in colon cancers and normal colon. In contrast, the average VC concentration was twofold higher in cancers versus normal tissue (p < .002). Cancers also contained numerous ''hot spots'' with intracellular VC concentrations sixfold higher than the concentration in normal colon (p < .0001). No hot spots were detected in normal colon. This is the first direct demonstration that VCs selectively accumulate in cancer cells and thus may improve cancer detection. C1 [Mustafi, Devkumar] Univ Chicago, Dept Radiol, Chicago, IL 60637 USA. Univ Chicago, Dept Med, Chicago, IL 60637 USA. Univ Chicago, Dept Pathol, Chicago, IL 60637 USA. Argonne Natl Lab, Adv Photon Source, Lemont, IL USA. RP Mustafi, D (reprint author), Univ Chicago, Dept Radiol, 920 East 58th St CLSC 109, Chicago, IL 60637 USA. EM dmustafi@uchicago.edu; gskarczm@uchicago.edu RI Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013 OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513 FU National Institutes of Health [RO1-CA133490, RO1-CA167785]; University of Chicago Cancer Comprehensive Center grant; U.S. DOE [DE-AC02-06CH11357] FX This work was supported by grants from the National Institutes of Health (RO1-CA133490 and RO1-CA167785) and by a University of Chicago Cancer Comprehensive Center grant. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 26 TC 0 Z9 0 U1 2 U2 9 PU B C DECKER INC PI HAMILTON PA 69 JOHN STREET SOUTH, STE 310, HAMILTON, ONTARIO L8N 2B9, CANADA SN 1535-3508 EI 1536-0121 J9 MOL IMAGING JI Mol. Imaging PD MAY PY 2015 VL 14 DI 10.2310/7290.2015.00001 PG 12 WC Biochemical Research Methods; Radiology, Nuclear Medicine & Medical Imaging SC Biochemistry & Molecular Biology; Radiology, Nuclear Medicine & Medical Imaging GA CX3JY UT WOS:000365596300003 ER PT J AU Zhang, R Vasco, D Daley, TM Harbert, W AF Zhang, Rui Vasco, Donald Daley, Thomas M. Harbert, William TI Characterization of a fracture zone using seismic attributes at the In Salah CO2 storage project SO Interpretation-A Journal of Subsurface Characterization LA English DT Article ID ALGERIA; CURVATURE AB The In Salah carbon dioxide storage project in Algeria has injected more than 3 million tons of carbon dioxide into a water-filled tight-sand formation. During injection, interferometric synthetic aperture radar (InSAR) reveals a double-lobed pattern of up to a 20-mm surface uplift above the horizontal leg of an injection well. Interpretation of 3D seismic data reveals the presence of a subtle linear push-down feature located along the InSAR determined surface depression between the two lobes, which we interpreted to have to be caused by anomalously lower velocity from the fracture zone and the presence of CO2 displacing brine in this feature. To enhance the seismic interpretation, we calculated many poststack seismic attributes, including positive and negative curvatures as well as ant track, from the 3D seismic data. The maximum positive curvature attributes and ant track found the clearest linear features, with two parallel trends, which agreed well with the ant-track volume and the InSAR observations of the depression zone. The seismic attributes provided a plausible characterization of the fracture zone extent, including height, width, and length (80, 350, and 3500 m, respectively), providing important information for further study of fracture behavior due to the CO2 injection at In Salah. We interpreted the pattern of depression between two surface-deformation lobes as caused by the opening of a subvertical fracture or damage zone at depth above the injection interval, which allowed injected CO2 to migrate upward. Our analysis corroborated previous interpretation of surface uplift as due to the injection of CO2 in this well. C1 [Vasco, Donald; Daley, Thomas M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Harbert, William] Univ Pittsburgh, Pittsburgh, PA USA. RP Zhang, R (reprint author), Univ Louisiana Lafayette, Lafayette, LA 70504 USA. EM rxz1961@louisiana.edu; dwvasco@lbl.gov; tmdaley@lbl.gov; william.harbert@contr.netl.doe.gov RI Daley, Thomas/G-3274-2015; Vasco, Donald/I-3167-2016; Vasco, Donald/G-3696-2015 OI Daley, Thomas/0000-0001-9445-0843; Vasco, Donald/0000-0003-1210-8628; Vasco, Donald/0000-0003-1210-8628 FU In Salah Joint Industry Project; GEOSEQ project for the Assistant Secretary for Fossil Energy, Office of Coal and Power Systems through the National Energy Technology Laboratory, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the In Salah Joint Industry Project, a partnership of BP, Statoil, and Sonatrach, from 2011 to 2013. This work was partially supported by the GEOSEQ project for the Assistant Secretary for Fossil Energy, Office of Coal and Power Systems through the National Energy Technology Laboratory, of the U.S. Department of Energy, under contract no. DE-AC02-05CH11231. Some of the seismic data processing in this report was performed using the VISTA software package provided by GEDCO, now a Schlumberger company. NR 21 TC 2 Z9 2 U1 1 U2 2 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 2324-8858 EI 2324-8866 J9 INTERPRETATION-J SUB JI Interpretation PD MAY PY 2015 VL 3 IS 2 BP SM37 EP SM46 DI 10.1190/INT-2014-0141.1 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CV5BW UT WOS:000364282200023 ER PT J AU Sullivan, C Bonneville, A Harbert, W Gupta, N Nieuwland, D Morris, J AF Sullivan, Charlotte Bonneville, Alain Harbert, William Gupta, Neeraj Nieuwland, Dirk Morris, Joseph TI Introduction to special section: CO2 storage and utilization SO Interpretation-A Journal of Subsurface Characterization LA English DT Editorial Material C1 [Sullivan, Charlotte; Bonneville, Alain] Pacific NW Natl Lab, Richland, WA 99352 USA. [Harbert, William] Univ Pittsburgh, Natl Energy Technol Lab, Pittsburgh, PA USA. [Gupta, Neeraj] Battelle Mem Inst, Columbus, OH 43201 USA. [Nieuwland, Dirk] NewTec Environm Serv, Leiden, Netherlands. [Morris, Joseph] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Sullivan, C (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM charlotte.sullivan@pnnl.gov; alain.bonneville@pnnl.gov; harbert@pitt.edu; gupta@battelle.org; dnieuw@xs4all.nl; jmorris4@slb.com NR 0 TC 0 Z9 0 U1 1 U2 5 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 2324-8858 EI 2324-8866 J9 INTERPRETATION-J SUB JI Interpretation PD MAY PY 2015 VL 3 IS 2 DI 10.1190/INT2015-0331-SPSEINTRO.1 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CV5BW UT WOS:000364282200020 ER PT J AU Barzyk, TM Wilson, S Wilson, A AF Barzyk, Timothy M. Wilson, Sacoby Wilson, Anthony TI Community, State, and Federal Approaches to Cumulative Risk Assessment: Challenges and Opportunities for Integration SO INTERNATIONAL JOURNAL OF ENVIRONMENTAL RESEARCH AND PUBLIC HEALTH LA English DT Article DE cumulative risk assessment; environmental health; community-based participatory research; exposure assessment; susceptibility; vulnerability ID ENVIRONMENTAL JUSTICE; NONCHEMICAL STRESSORS; IMPACT; EXPOSURE AB Community, state, and federal approaches to conventional and cumulative risk assessment (CRA) were described and compared to assess similarities and differences, and develop recommendations for a consistent CRA approach, acceptable across each level as a rigorous scientific methodology, including partnership formation and solution development as necessary practices. Community, state, and federal examples were described and then summarized based on their adherence to CRA principles of: (1) planning, scoping, and problem formulation; (2) risk analysis and ranking, and (3) risk characterization, interpretation, and management. While each application shared the common goal of protecting human health and the environment, they adopted different approaches to achieve this. For a specific project-level analysis of a particular place or instance, this may be acceptable, but to ensure long-term applicability and transferability to other projects, recommendations for developing a consistent approach to CRA are provided. This approach would draw from best practices, risk assessment and decision analysis sciences, and historical lessons learned to provide results in an understandable and accepted manner by all entities. This approach is intended to provide a common ground around which to develop CRA methods and approaches that can be followed at all levels. C1 [Barzyk, Timothy M.] US EPA, Natl Exposure Res Lab, Res Triangle Pk, NC 27709 USA. [Wilson, Sacoby] Univ Maryland, Sch Publ Hlth, College Pk, MD 20740 USA. [Wilson, Anthony] US EPA, ORISE, Res Triangle Pk, NC 27709 USA. RP Barzyk, TM (reprint author), US EPA, Natl Exposure Res Lab, Res Triangle Pk, NC 27709 USA. EM barzyk.timothy@epa.gov; swilson2@umd.edu; wilson.anthony@epa.gov FU Environmental Protection Agency FX The authors would like to acknowledge the support of the Environmental Protection Agency Cumulative Risk Assessment Technical Panel for their insights and feedback into this research. NR 46 TC 0 Z9 0 U1 0 U2 6 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 1660-4601 J9 INT J ENV RES PUB HE JI Int. J. Environ. Res. Public Health PD MAY PY 2015 VL 12 IS 5 BP 4546 EP 4571 DI 10.3390/ijerph120504546 PG 26 WC Environmental Sciences; Public, Environmental & Occupational Health SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health GA CO5HN UT WOS:000359190300005 PM 25918910 ER PT J AU Abdalah, M Boutchko, R Mitra, D Shrestha, U Seo, Y Botvinick, E Gullberg, G AF Abdalah, Mahmoud Boutchko, Rostyslav Mitra, Debasis Shrestha, Uttam Seo, Youngho Botvinick, Elias Gullberg, Grant TI Liver and Background Removal in Dynamic Cardiac SPECT SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging CY JUN 06-10, 2015 CL Baltimore, MD SP Soc Nucl Med & Mol Imaging C1 [Boutchko, Rostyslav; Gullberg, Grant] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Shrestha, Uttam; Seo, Youngho; Botvinick, Elias] Univ Calif San Francisco, San Francisco, CA 94143 USA. [Abdalah, Mahmoud; Mitra, Debasis] Florida Inst Technol, Melbourne, FL 32901 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY 1 PY 2015 VL 56 IS 3 SU 3 MA 1527 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CN9AU UT WOS:000358738803147 ER PT J AU Chan, HS Konijnenberg, M Anderson, T Nysus, M de Blois, E Atcher, R Breeman, W de Jong, M Norenberg, J AF Chan, Ho Sze Konijnenberg, Mark Anderson, Tamara Nysus, Monique de Blois, Erik Atcher, Robert Breeman, Wouter de Jong, Marion Norenberg, Jeffrey TI L-Lysine As Kidney Protectant In Targeted Alpha Therapy With Bi-213-DOTATATE SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging CY JUN 06-10, 2015 CL Baltimore, MD SP Soc Nucl Med & Mol Imaging C1 [Chan, Ho Sze; Konijnenberg, Mark; de Blois, Erik; Breeman, Wouter; de Jong, Marion] Erasmus MC, Nucl Med, Rotterdam, Netherlands. [Anderson, Tamara; Nysus, Monique; Norenberg, Jeffrey] Univ New Mexico, Coll Pharm, Hlth Sci Ctr, Radiopharmaceut Sci Program, Albuquerque, NM 87131 USA. [Atcher, Robert] Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY 1 PY 2015 VL 56 IS 3 SU 3 MA 338 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CN9AU UT WOS:000358738800338 ER PT J AU Holman, E Chen, L Holman, HY Enns, G Blankenberg, F AF Holman, Elizabeth Chen, Liang Holman, Hoi-Ying Enns, Gregory Blankenberg, Francis TI Correlation of HMPAO uptake with live single cell synchrotron mid-Infrared spectromicroscopy in inherited mitochondrial disease SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging CY JUN 06-10, 2015 CL Baltimore, MD SP Soc Nucl Med & Mol Imaging C1 [Blankenberg, Francis] Stanford Univ, Radiol, Stanford, CA 94305 USA. [Enns, Gregory] Stanford Univ, Pediat, Stanford, CA 94305 USA. [Holman, Elizabeth; Chen, Liang; Holman, Hoi-Ying] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Ecol, Synchrotron Infrared Struct Biol Program, Berkeley, CA 94720 USA. RI Holman, Hoi-Ying/N-8451-2014; Chen, Liang/F-3496-2011 OI Holman, Hoi-Ying/0000-0002-7534-2625; NR 0 TC 0 Z9 0 U1 0 U2 1 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY 1 PY 2015 VL 56 IS 3 SU 3 MA 1551 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CN9AU UT WOS:000358738803171 ER PT J AU Kang, Y He, B Schlyer, D Vallabhajosula, S Mozley, P AF Kang, Yeona He, Bin Schlyer, David Vallabhajosula, Shankar Mozley, Paul TI Reproducibility of test-retest with [C-11]-PK11195 using different input function approaches SO JOURNAL OF NUCLEAR MEDICINE LA English DT Meeting Abstract CT Annual Meeting of the Society-of-Nuclear-Medicine-and-Molecular-Imaging CY JUN 06-10, 2015 CL Baltimore, MD SP Soc Nucl Med & Mol Imaging C1 [Kang, Yeona; He, Bin; Vallabhajosula, Shankar; Mozley, Paul] Weill Cornell Med Coll, New York, NY USA. [Schlyer, David] Brookhaven Natl Lab, Upton, NY 11973 USA. RI Kang, Yeona/M-5305-2016 OI Kang, Yeona/0000-0003-3384-435X NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 EI 1535-5667 J9 J NUCL MED JI J. Nucl. Med. PD MAY 1 PY 2015 VL 56 IS 3 SU 3 MA 152 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CN9AU UT WOS:000358738800153 ER PT J AU Terborg, L Masini, JC Lin, M Lipponen, K Riekolla, ML Svec, F AF Terborg, Lydia Masini, Jorge C. Lin, Michelle Lipponen, Katriina Riekolla, Marja-Liisa Svec, Frantisek TI Porous polymer monolithic columns with gold nanoparticles as an intermediate ligand for the separation of proteins in reverse phase-ion exchange mixed mode SO JOURNAL OF ADVANCED RESEARCH LA English DT Article DE Gold nanoparticles; Mixed mode; Monolith; Proteins; Separation ID CAPILLARY COLUMNS; CHROMATOGRAPHY; SURFACE; IMMOBILIZATION AB A new approach has been developed for the preparation of mixed-mode stationary phases to separate proteins. The pore surface of monolithic poly(glycidyl methacrylate-co-ethylene dimethacrylate) capillary columns was functionalized with thiols and coated with gold nanoparticles. The final mixed mode surface chemistry was formed by attaching, in a single step, alkanethiols, mercaptoalkanoic acids, and their mixtures on the free surface of attached gold nanoparticles. Use of these mixtures allowed fine tuning of the hydrophobic/hydrophilic balance. The amount of attached gold nanoparticles according to thermal gravimetric analysis was 44.8 wt.%. This value together with results of frontal elution enabled calculation of surface coverage with the alkanethiol and mercaptoalkanoic acid ligands. Interestingly, alkanethiols coverage in a range of 4.46-4.51 molecules/nm(2) significantly exceeded that of mercaptoalkanoic acids with 2.39-2.45 molecules/nm(2). The mixed mode character of these monolithic stationary phases was for the first time demonstrated in the separations of proteins that could be achieved in the same column using gradient elution conditions typical of reverse phase (using gradient of acetonitrile in water) and ion exchange chromatographic modes (applying gradient of salt in water), respectively. (C) 2014 Production and hosting by Elsevier B.V. on behalf of Cairo University. C1 [Terborg, Lydia; Svec, Frantisek] EO Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Masini, Jorge C.] Univ Sao Paulo, Dept Fundamental Chem, Inst Chem, BR-05513970 Sao Paulo, Brazil. [Lin, Michelle] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Lipponen, Katriina; Riekolla, Marja-Liisa] Univ Helsinki, Dept Chem, Analyt Chem Lab, FIN-00014 Helsinki, Finland. RP Svec, F (reprint author), EO Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM fsvec@lbl.gov RI Masini, Jorge/C-9069-2012; Foundry, Molecular/G-9968-2014 OI Masini, Jorge/0000-0002-0496-9009; NR 17 TC 7 Z9 7 U1 8 U2 34 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2090-1232 EI 2090-1224 J9 J ADV RES JI J. Adv. Res. PD MAY PY 2015 VL 6 IS 3 BP 441 EP 448 DI 10.1016/j.jare.2014.10.004 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CL9RT UT WOS:000357316500021 PM 26257942 ER PT J AU Kearney, SP AF Kearney, Sean P. TI Hybrid fs/ps rotational CARS temperature and oxygen measurements in the product gases of canonical flat flames SO COMBUSTION AND FLAME LA English DT Article DE Laser diagnostics; Femtosecond CARS; Flat flames; Temperature; Oxygen ID STOKES-RAMAN SCATTERING; SINGLE-LASER-SHOT; PHASE THERMOMETRY; FEMTOSECOND CARS; SPECIES MEASUREMENTS; VIBRATIONAL CARS; SOOTING FLAMES; SPECTROSCOPY; PROBE; GENERATION AB A hybrid fs/ps pure-rotational coherent anti-Stokes Raman scattering (CARS) scheme is systematically evaluated over a wide range of flame conditions in the product gases of two canonical fiat-flame burners. Near-transform-limited, broadband femtosecond pump and Stokes pulses impulsively prepare a rotational Raman coherence, which is later probed using a high-energy, frequency-narrow picosecond beam generated by the second-harmonic bandwidth compression scheme that has recently been demonstrated for rotational CARS generation in H-2/air flat flames. The measured spectra are free of collision effects and nonresonant background and can be obtained on a single-shot basis at 1 kHz. The technique is evaluated for temperature/oxygen measurements in near-adiabatic H2/air flames stabilized on the Hencken burner for equivalence ratios of phi = 0.20-1.20. Thermometry is demonstrated in hydrocarbon/air products for phi = 0.75-3.14 in premixed C2H4/air flat flames on the McKenna burner. Reliable spectral fitting is demonstrated for both shot-averaged and single-laser-shot data using a simple phenomenological model. Measurement accuracy is benchmarked by comparison to adiabatic-equilibrium calculations for the H2/air flames, and by comparison with nanosecond CARS measurements for the C2H4/air flames. Quantitative accuracy comparable to nanosecond rotational CARS measurements is observed, while the observed precision in both the temperature and oxygen data is extraordinarily high, exceeding nanosecond CARS, and on par with the best published thermometric precision by femtosecond vibrational CARS in flames, and rotational femtosecond CARS at low temperature. Threshold levels of signal-to-noise ratio to achieve 1-2% precision in temperature and O-2/N-2 ratio are identified. The results show that pure-rotational fs/ps CARS is a robust and quantitative tool when applied across a wide range of flame conditions spanning lean H-2/air combustion to fuel-rich sooting hydrocarbon flames. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Kearney, Sean P.] Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA. RP Kearney, SP (reprint author), Sandia Natl Labs, POB 5800,Mail Stop 0826, Albuquerque, NM 87185 USA. EM spkearn@sandia.gov FU United States Department of Energy through Sandia National Laboratories; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The author thanks Alexis Bohlin, presently at Sandia, for providing the nanosecond rotational CARS results and linewidth data compiled at Lund University. Technical assistance from Tom Grasser is also gratefully acknowledged. Funding for this work has been provided by the United States Department of Energy through Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 65 TC 9 Z9 9 U1 7 U2 32 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 MAY PY 2015 VL 162 IS 5 BP 1748 EP 1758 DI 10.1016/j.combustflame.2014.11.036 PG 11 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CN6RI UT WOS:000358561500012 ER PT J AU Short, M Jackson, SI AF Short, Mark Jackson, Scott I. TI Dynamics of high sound-speed metal confiners driven by non-ideal high-explosive detonation SO COMBUSTION AND FLAME LA English DT Article DE Non-ideal detonation; High-sound-speed confinement; Cylinder tests AB The results of 14 tests examining the behavior of aluminum (Al) confiners driven by non-ideal ANFO detonation in a cylinder test configuration are presented. In each test, the measured detonation phase velocity is slower than the aluminum sound speed. Thus, in the detonation reference frame, the flow in the Al is both shockless and subsonic. The tests involve: 3-in, inner diameter (ID) cylinders with Al wall thicknesses of 1/4, 3/8, 1/2, 1 and 2 in.; a 4-in. ID cylinder with a 1/2-in. Al wall thickness; and 6-in. ID cylinders with Al wall thicknesses of 1/2, 1 and 2 in. The ANFO detonation velocity is seen to increase with increasing wall thickness for both the 3- and 6-in. ID tests, with no limiting velocity reached for the wall thicknesses used. The motion of the outer Al wall due to precursor elastic waves in the Al running ahead of the detonation is also measured at various axial locations along the cylinders. It is found that the magnitude of the outer wall motion due to the precursor elastic waves is small, while the associated wall motion is unsteady and decays in amplitude as the elastic disturbances move further ahead of the detonation front. The variations in the expansion history of the main outer wall motion of the cylinders are presented for increasing wall thickness at fixed ID, and for increasing cylinder inner diameter at a fixed wall thickness. Finally, we also explore the existence of a geometric similarity scaling of the wall expansion history for three geometrically scaled tests (3- and 6-in. ID cylinders with 1/4- and 1/2-in. walls, 3- and 6-in. ID cylinders with 1/2- and 1-in, walls and 3- and 6-in. ID cylinders with 1- and 2-in, walls respectively). We find that the wall velocity histories for each of the three scaled tests, when plotted directly against time relative to start of main motion of the wall, are similar over a certain range of wall velocities without any geometric based rescaling in time. The range of wall velocities where the overlap occurs increases as the ratio of the wall thickness to inner diameter decreases. This is in contrast to ideal high explosives, where the outer wall velocity histories are only similar when the geometric scale factor (in this case a factor of 2) is applied to the wall velocity motion. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Short, Mark; Jackson, Scott I.] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA. RP Short, M (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, POB 1663, Los Alamos, NM 87545 USA. EM short1@lanl.gov; sjackson@lanl.gov OI Jackson, Scott/0000-0002-6814-3468 NR 20 TC 3 Z9 3 U1 1 U2 4 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 MAY PY 2015 VL 162 IS 5 BP 1857 EP 1867 DI 10.1016/j.combustflame.2014.12.007 PG 11 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CN6RI UT WOS:000358561500022 ER PT J AU Pei, YJ Hawkes, ER Kook, S Goldin, GM Lu, TF AF Pei, Yuanjiang Hawkes, Evatt R. Kook, Sanghoon Goldin, Graham M. Lu, Tianfeng TI Modelling n-dodecane spray and combustion with the transported probability density function method SO COMBUSTION AND FLAME LA English DT Article DE Spray A; Transported probability density function; Engine Combustion Network; Diesel; Ignition; n-Dodecane ID TURBULENCE-CHEMISTRY INTERACTION; LAGRANGIAN FDF SIMULATIONS; DIESEL-ENGINE CONDITIONS; METHANE/AIR JET FLAMES; BLUFF-BODY FLAMES; LIFT-OFF LENGTH; PDF CALCULATIONS; MIXING MODELS; MICROMIXING MODELS; NONPREMIXED FLAMES AB An n-dodecane spray in temperature and pressure conditions typical of diesel engines, known as Spray A. is modelled by the transported probability density function (TPDF) method coupled with a time-dependent Reynolds-averaged k-epsilon turbulence model and a Lagrangian discrete phase model of the liquid spray. To establish a baseline for comparisons, non-reacting cases are first studied. Good results are obtained for the vapour penetration, the mean and variance of fuel mixture fraction, and velocity profiles, with variations in ambient density and injection pressure. These comparisons are more extensive than previous studies due to new experimental data being available. Reacting cases are then investigated for a number of ambient conditions and injection parameters, employing a reduced chemical kinetic model. The chemical mechanism incorporates an OH* sub-mechanism (Hall and Petersen, 2006) which enables a direct comparison with experimental measurements of the lift-off length that are based on OH chemiluminescence. To assess the importance of interactions between turbulence and chemistry, the results from the PDF model are compared to the measurements and to those from a well-mixed model that ignores turbulent fluctuations. Variations of ambient temperature, ambient oxygen concentration, ambient density, and injection pressure are considered. In all cases the PDF model with the EMST mixing model and C-phi = 1.5 shows an excellent agreement with the experimental lift-off length and presents improved results compared with the well-mixed model. Ignition delay is however over-predicted by both the PDF method and well-mixed models. Available shock tube data suggests that this may be due to the chemical kinetic model over-predicting ignition delay at higher pressures. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Pei, Yuanjiang; Hawkes, Evatt R.] Univ New S Wales, Sch Photovolta & Renewable Energy Engn, Sydney, NSW 2052, Australia. [Hawkes, Evatt R.; Kook, Sanghoon] Univ New S Wales, Sch Mech & Mfg Engn, Sydney, NSW 2052, Australia. [Goldin, Graham M.] Ansys Inc, Lebanon, NH USA. [Lu, Tianfeng] Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA. RP Pei, YJ (reprint author), Argonne Natl Lab, Transportat Technol Res & Dev Ctr, Argonne, IL 60439 USA. EM ypei@anl.gov RI Lu, Tianfeng/D-7455-2014; Kook, Sanghoon/C-5372-2009; Hawkes, Evatt/C-5307-2012 OI Lu, Tianfeng/0000-0001-7536-1976; Kook, Sanghoon/0000-0002-7620-9789; Hawkes, Evatt/0000-0003-0539-7951 FU AusAID via Australian Leadership Awards program; Australian Research Council; U.S. Department of Energy [DE-SC0008622]; U.S. National Science Foundation [CBET-1258646] FX Y. Pei acknowledges the support of AusAID via its Australian Leadership Awards program. The work was supported by the Australian Research Council and benefited from resources of the National Computational Infrastructure, Australia, Intersect Australia Ltd, and the Leonardi research cluster of the Faculty of Engineering, The University of New South Wales. The work at the University of Connecticut was supported by the U.S. Department of Energy under Grant DE-SC0008622 and U.S. National Science Foundation under Grant CBET-1258646. The authors thank Lyle Pickett and Gilles Bruneaux for their leadership in establishing the Engine Combustion Network, and Dan Haworth for several useful discussions. Michele Bardi and Raul Payri are thanked for making available their experimental data prior to formal publication. NR 100 TC 26 Z9 26 U1 4 U2 11 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 MAY PY 2015 VL 162 IS 5 BP 2006 EP 2019 DI 10.1016/j.combustflame.2014.12.019 PG 14 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CN6RI UT WOS:000358561500034 ER PT J AU Day, M Tachibana, S Bell, J Lijewski, M Beckner, V Cheng, RK AF Day, Marc Tachibana, Shigeru Bell, John Lijewski, Michael Beckner, Vince Cheng, Robert K. TI A combined computational and experimental characterization of lean premixed turbulent low swirl laboratory flames II. Hydrogen flames SO COMBUSTION AND FLAME LA English DT Article DE Low swirl burner; Turbulent lean premixed flames; Hydrogen-air combustion; Lagrangian diagnostics; DNS; OH-PLIF ID INTENSE ISOTROPIC TURBULENCE; LARGE-EDDY SIMULATION; METHANE-AIR FLAMES; NUMERICAL-SIMULATION; COMPLEX CHEMISTRY; COMBUSTION; EQUATIONS; FLOWS; DIFFUSION; H-2 AB We present simulations of laboratory-scale Low Swirl Burner (LSB) flames in order to develop a characterization of the interaction of thermal/diffusive unstable flames with turbulence at the correct scales of laboratory experiments. A Lagrangian diagnostic was developed to overcome the pitfalls of traditional Eulerian analysis techniques when applied to cellular flame systems, including the lack of a well-defined measure of "flame progress" and the time-dependent strain and curvature fields that evolve at scales that are faster than the residence time in the flame zone. An integrated measure of consumption along the pathlines was shown to serve as a generalized analog of the Eulerian-computed consumption-based burning speed. The diffusive fuel flux divergence along the pathlines was shown to correlate directly with integrated consumption rate. Insights gained through the Lagrangian diagnostic analysis served as the underpinning of a new procedure to interpret OH-PLIF images from the LSB experiment. This new diagnostic is able to provide a more physically meaningful approximation to the "flame surface area" than traditional approaches based on PIV processing. Published by Elsevier Inc. on behalf of The Combustion Institute. C1 [Day, Marc; Bell, John; Lijewski, Michael; Beckner, Vince] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. [Tachibana, Shigeru] Japan Aerosp Explorat Agcy, Inst Aeronaut Technol, Chofu, Tokyo 1828522, Japan. [Cheng, Robert K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Day, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. FU U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program [DE-AC02005CH11231]; INCITE FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program under contract number DE-AC02005CH11231. The simulations and analysis were performed on the Franklin and Hopper machines at NERSC under an INCITE award. The authors gratefully acknowledge Gary Hubbard in the LBNL Combustion Laboratory for assistance in data analysis. NR 36 TC 5 Z9 5 U1 3 U2 20 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 MAY PY 2015 VL 162 IS 5 BP 2148 EP 2165 DI 10.1016/j.combustflame.2015.01.013 PG 18 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CN6RI UT WOS:000358561500046 ER PT J AU Fuest, F Barlow, RS Magnotti, G Dreizler, A Ekoto, IW Sutton, JA AF Fuest, Frederik Barlow, Robert S. Magnotti, Gaetano Dreizler, Andreas Ekoto, Isaac W. Sutton, Jeffrey A. TI Quantitative acetylene measurements in laminar and turbulent flames using 1D Raman/Rayleigh scattering SO COMBUSTION AND FLAME LA English DT Article DE Raman spectroscopy; Acetylene; Dimethyl ether; Combustion diagnostics ID PREMIXED METHANE/AIR FLAMES; JET FLAMES; RAMAN-SCATTERING; DIMETHYL ETHER; DIAGNOSTICS; HYDROCARBON; COMBUSTION; C2H2; CO AB This work presents the extension of the established detection of seven major species in 1D Raman/Rayleigh measurements to incorporate acetylene (C2H2) as an eighth species. Acetylene is an important soot precursor which is generated in hydrocarbon flames as an intermediate species following decomposition. It occurs over a broad temperature range in flames and has been identified as a potentially detectable species in 1D Raman/Rayleigh measurements. In this paper, we discuss the Raman spectral signature of acetylene, its temperature dependence, calibration procedures, and the interference with other Raman-active species, C-2 and broadband interferences, all of which are essential to quantify for accurate data processing. In this regard, Raman measurements in laminar and turbulent dimethyl ether flames were acquired. The data are spectrally analyzed and low-temperature calibrations of the Raman response are combined with an extrapolation model for high temperatures in order to place the acetylene signals on an absolute scale. Single-shot and conditional-mean values are presented as a function of mixture fraction for a laminar partially-premixed DME/air flame. Measurements from the laminar flame are compared to a ID laminar flame calculation to assess the accuracy of the calibration and analysis procedures. Finally, detection limits, signal-to-noise, and signal-to-interference ratio of the C2H2 measurement are discussed, and single-shot measurements of acetylene in a turbulent DME/air jet flame are demonstrated. Published by Elsevier Inc. on behalf of The Combustion Institute. C1 [Fuest, Frederik; Sutton, Jeffrey A.] Ohio State Univ, Dept Mech & Aerosp Engn, Columbus, OH 43210 USA. [Barlow, Robert S.; Magnotti, Gaetano; Ekoto, Isaac W.] Sandia Natl Labs, Livermore, CA USA. [Dreizler, Andreas] Tech Univ Darmstadt, Ctr Smart Interfaces, FG React Flows & Diagnost, D-64287 Darmstadt, Germany. RP Fuest, F (reprint author), Ohio State Univ, Dept Mech & Aerosp Engn, 201 W 19th Ave, Columbus, OH 43210 USA. EM frederik.fuest@gmail.com FU Combustion Energy Frontier Research Center - US department of Energy, Office of Science, BES [DE-SC0001198]; Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, US Department of Energy; United States Department of Energy [DE-AC04-94-AL85000]; Deutsche Forschungsgemeinschaft [SFB 568, EXC 259] FX Work at Ohio State University was supported by the Combustion Energy Frontier Research Center funded by the US department of Energy, Office of Science, BES under Award DE-SC0001198. Work performed at Sandia was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, US Department of Energy. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94-AL85000. A portion of the work was supported by Deutsche Forschungsgemeinschaft SFB 568 and EXC 259. The help of R. Harmon during the experiments is gratefully acknowledged. NR 33 TC 3 Z9 3 U1 3 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 MAY PY 2015 VL 162 IS 5 BP 2248 EP 2255 DI 10.1016/j.combustflame.2015.01.021 PG 8 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CN6RI UT WOS:000358561500053 ER PT J AU Kukkadapu, G Kumar, K Sung, CJ Mehl, M Pitz, WJ AF Kukkadapu, Goutham Kumar, Kamal Sung, Chih-Jen Mehl, Marco Pitz, William J. TI Autoignition of gasoline surrogates at low temperature combustion conditions SO COMBUSTION AND FLAME LA English DT Article DE Research grade gasoline; Gasoline surrogates; Autoignition; Rapid compression machine; Ignition delays; Low temperature combustion ID RAPID COMPRESSION MACHINE; 7.6 MU-M; CHEMICAL-KINETICS; SHOCK-TUBE; MIXTURES; IGNITION; FUEL; SPECIATION; PRESSURES AB Understanding the autoignition characteristics of gasoline is essential for the development and design of advanced combustion engines based on low temperature combustion (LTC) technology. Formulation of an appropriate gasoline surrogate and advances in its comprehensive chemical kinetic model are required to model autoignition of gasoline under LTC conditions. Ignition delays of two surrogates proposed in literature for a research grade gasoline (RD387), including a three-component mixture of iso-octane, n-heptane, and toluene and a four-component mixture with the addition of an olefin (2-pentene), were measured in this study using a rapid compression machine (RCM). The present RCM experiments focused on two fuel lean conditions in air corresponding to equivalence ratios of phi = 0.3 and 0.5, at two compressed pressures of P-C = 20 bar and 40 bar in the compressed temperature range of T-C = 665-950 K. Comparison of the measured ignition delays of two gasoline surrogates with those of RD387 reported in our previous study shows that the four-component surrogate performs better in emulating the autoignition characteristics of RD387. In addition, numerical simulations were carried out to assess the comprehensiveness of the corresponding gasoline surrogate model from Lawrence Livermore National Laboratory. The performance of the chemical kinetic model was noted to be pressure dependent, and the agreement between the experimental and simulated results was found to depend on the operating conditions. A good agreement was observed at a compressed pressure of 20 bar, while a reduced reactivity was predicted by the chemical kinetic model at 40 bar. Brute force sensitivity analysis was also conducted at varying pressures, temperatures, and equivalence ratios to identify the reactions that influence simulated ignition delay times. Finally, further studies for improving the surrogate kinetic model were discussed and suggested. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Kukkadapu, Goutham; Kumar, Kamal; Sung, Chih-Jen] Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA. [Mehl, Marco; Pitz, William J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Sung, CJ (reprint author), Univ Connecticut, Dept Mech Engn, Room 484,United Technol Engn Bldg, Storrs, CT 06269 USA. EM cjsung@engr.uconn.edu RI Mehl, Marco/A-8506-2009; OI Mehl, Marco/0000-0002-2227-5035; Kumar, Kamal/0000-0002-3923-8740 FU National Science Foundation [CBET-1402231]; U.S. Department of Energy, Vehicle Technologies Office; U.S. Department of Energy [DE-AC52-07NA27344] FX The work at UConn was supported by the National Science Foundation under Grant No. CBET-1402231. The work at LLNL was supported by the U.S. Department of Energy, Vehicle Technologies Office (program managers Gurpreet Singh and Leo Breton) and performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 32 TC 9 Z9 9 U1 8 U2 17 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 MAY PY 2015 VL 162 IS 5 BP 2272 EP 2285 DI 10.1016/j.combustflame.2015.01.025 PG 14 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CN6RI UT WOS:000358561500055 ER PT J AU Li, SJ Sarathy, SM Davidson, DF Hanson, RK Westbrook, CK AF Li, Sijie Sarathy, S. Mani Davidson, David F. Hanson, Ronald K. Westbrook, Charles K. TI Shock tube and modeling study of 2,7-dimethyloctane pyrolysis and oxidation SO COMBUSTION AND FLAME LA English DT Article DE 2,7-Dimethyloctane; Ignition delay time; NTC region; Fuel time-history; Ethylene time-history ID IGNITION DELAY TIMES; PRESSURE RATE RULES; THERMODYNAMIC PROPERTIES; COMBUSTION; OCTANE; AUTOIGNITION; ISOMERS; ALKANES; HYDROCARBONS; MIXTURES AB High molecular weight iso-paraffinic molecules are found in conventional petroleum, Fischer-Tropsch (FT), and other alternative hydrocarbon fuels, yet fundamental combustion studies on this class of compounds are lacking. In the present work, ignition delay time measurements in 2,7-dimethyloctane/air were carried out behind reflected shock waves using conventional and constrained reaction volume (CRV) methods. The ignition delay time measurements covered the temperature range 666-1216 K, pressure range 12-27 atm, and equivalence ratio of 0.5 and 1. The ignition delay time temperatures span the low-, intermediate- and high-temperature regimes for 2,7-dimethyloctane (2,7-DMO) oxidation. Clear evidence of negative temperature coefficient behavior was observed near 800 K. Fuel time-history measurements were also carried out in pyrolysis experiments in mixtures of 2000 ppm 2,7-DMO/argon at pressures near 16 and 35 atm, and in the temperature range of 1126-1455 K. Based on the fuel removal rates, the overall 2,7-DMO decomposition rate constant can be represented with k- 4.47 x 10(5) exp(-23.4[kcal/mol]/RT) ON. Ethylene time-history measurements in pyrolysis experiments at 16 atm are also provided. The current shock tube dataset was simulated using a novel chemical kinetic model for 2,7-DMO. The reaction mechanism includes comprehensive low- and high-temperature reaction classes with rate constants assigned using established rules. Comparisons between the simulated and experimental data show simulations reproduce the qualitative trends across the entire range of conditions tested. However, the present kinetic modeling simulations cannot quantitatively reproduce a number of experimental data points, and these are analyzed herein. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Li, Sijie; Davidson, David F.; Hanson, Ronald K.] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [Sarathy, S. Mani] King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia. [Westbrook, Charles K.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Davidson, DF (reprint author), Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. RI Sarathy, S. Mani/M-5639-2015 OI Sarathy, S. Mani/0000-0002-3975-6206 FU Air Force Office of Scientific Research through AFOSR [FA9550-11-1-0217]; AFRL Integrated Product Team; Clean Combustion Research Center; Saudi Aramco under the FUELCOM; US Department of Energy [DE-AC52-07NA27344]; US Department of Energy, Office of Vehicle Technologies FX This work was supported by the Air Force Office of Scientific Research through AFOSR Grant No. FA9550-11-1-0217, under the AFRL Integrated Product Team, with Dr. Chiping Li as contract monitor. The work at KAUST was funded by the Clean Combustion Research Center and by Saudi Aramco under the FUELCOM program. The LLNL work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by the US Department of Energy, Office of Vehicle Technologies. NR 45 TC 7 Z9 7 U1 3 U2 24 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 MAY PY 2015 VL 162 IS 5 BP 2296 EP 2306 DI 10.1016/j.combustflame.2015.01.027 PG 11 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA CN6RI UT WOS:000358561500057 ER PT J AU Burgsdorf, I Slaby, BM Handley, KM Haber, M Blom, J Marshall, CW Gilbert, JA Hentschel, U Steindler, L AF Burgsdorf, Ilia Slaby, Beate M. Handley, Kim M. Haber, Markus Blom, Jochen Marshall, Christopher W. Gilbert, Jack A. Hentschel, Ute Steindler, Laura TI Lifestyle Evolution in Cyanobacterial Symbionts of Sponges SO MBIO LA English DT Article ID MARINE SYNECHOCOCCUS STRAINS; RIBOSOMAL-RNA GENES; SINGLE-CELL; VERTICAL TRANSMISSION; MICROBIAL COMMUNITIES; SEQUENCE-ANALYSIS; SPACER SEQUENCES; GENOMIC ANALYSIS; WEB-SERVER; REVEALS AB The "Candidatus Synechococcus spongiarum" group includes different clades of cyanobacteria with high 16S rRNA sequence identity (similar to 99%) and is the most abundant and widespread cyanobacterial symbiont of marine sponges. The first draft genome of a "Ca. Synechococcus spongiarum" group member was recently published, providing evidence of genome reduction by loss of genes involved in several nonessential functions. However, "Ca. Synechococcus spongiarum" includes a variety of clades that may differ widely in genomic repertoire and consequently in physiology and symbiotic function. Here, we present three additional draft genomes of "Ca. Synechococcus spongiarum," each from a different clade. By comparing all four symbiont genomes to those of free-living cyanobacteria, we revealed general adaptations to life inside sponges and specific adaptations of each phylotype. Symbiont genomes shared about half of their total number of coding genes. Common traits of "Ca. Synechococcus spongiarum" members were a high abundance of DNA modification and recombination genes and a reduction in genes involved in inorganic ion transport and metabolism, cell wall biogenesis, and signal transduction mechanisms. Moreover, these symbionts were characterized by a reduced number of antioxidant enzymes and low-weight peptides of photosystem II compared to their free-living relatives. Variability within the "Ca. Synechococcus spongiarum" group was mostly related to immune system features, potential for siderophore-mediated iron transport, and dependency on methionine from external sources. The common absence of genes involved in synthesis of residues, typical of the O antigen of free-living Synechococcus species, suggests a novel mechanism utilized by these symbionts to avoid sponge predation and phage attack. IMPORTANCE While the Synechococcus/Prochlorococcus-type cyanobacteria are widely distributed in the world's oceans, a subgroup has established its niche within marine sponge tissues. Recently, the first genome of sponge-associated cyanobacteria, " Candidatus Synechococcus spongiarum," was described. The sequencing of three representatives of different clades within this cyanobacterial group has enabled us to investigate intraspecies diversity, as well as to give a more comprehensive understanding of the common symbiotic features that adapt "Ca. Synechococcus spongiarum" to its life within the sponge host. C1 [Burgsdorf, Ilia; Haber, Markus; Steindler, Laura] Univ Haifa, Leon H Charney Sch Marine Sci, Dept Marine Biol, IL-31999 Haifa, Israel. [Slaby, Beate M.; Hentschel, Ute] Univ Wurzburg, Julius von Sachs Inst Biosci, Dept Bot 2, D-97070 Wurzburg, Germany. [Handley, Kim M.; Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Blom, Jochen] Univ Giessen, Bioinformat & Syst Biol, D-35390 Giessen, Germany. [Marshall, Christopher W.; Gilbert, Jack A.] Inst Genom & Syst Biol, Argonne Natl Lab, Argonne, IL 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. RP Steindler, L (reprint author), Univ Haifa, Leon H Charney Sch Marine Sci, Dept Marine Biol, IL-31999 Haifa, Israel. EM lsteindler@univ.haifa.ac.il RI Hentschel, Ute/H-8343-2013; OI Hentschel, Ute/0000-0003-0596-790X; Slaby, Beate/0000-0002-9480-1460; Handley, Kim/0000-0003-0531-3009 FU USA-Israel Binational Science Foundation Young Investigator grant (BSF) [4161011]; DOE Joint Genome Institute grant [CSP 1291]; German Excellence Initiative; University of Chicago Research Computing Center FX Support for this study was provided by a USA-Israel Binational Science Foundation Young Investigator grant (BSF no. 4161011) to L.S. and a DOE Joint Genome Institute grant (CSP 1291) to U.H.; B.M.S. was supported by a grant of the German Excellence Initiative to the Graduate School of Life Sciences, University of Wurzburg.; L.S. thanks Steve Giovannoni for productive discussions and useful suggestions during the project and the staff of the Inter-University Institute in Eilat, Israel, for their assistance. Sequencing was conducted at the Institute for Genomics and Systems Biology's Next Generation Sequencing Core (IGSB-NGS, ANL) and at the Joint Genome Institute (JGI) in Walnut Creek, California, USA. We thank Tanja Woyke and Frederic Partensky for helpful discussions and advice. We also acknowledge the University of Chicago Research Computing Center for their support. Elena Burgsdorf is thanked for assistance with graphical design of figures. NR 84 TC 9 Z9 9 U1 7 U2 28 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 2150-7511 J9 MBIO JI mBio PD MAY-JUN PY 2015 VL 6 IS 3 AR e00391-15 DI 10.1128/mBio.00391-15 PG 14 WC Microbiology SC Microbiology GA CM7JH UT WOS:000357867400027 PM 26037118 ER PT J AU He, SM Malfatti, SA McFarland, JW Anderson, FE Pati, A Huntemann, M Tremblay, J del Rio, TG Waldrop, MP Windham-Myers, L Tringe, SG AF He, Shaomei Malfatti, Stephanie A. McFarland, Jack W. Anderson, Frank E. Pati, Amrita Huntemann, Marcel Tremblay, Julien del Rio, Tijana Glavina Waldrop, Mark P. Windham-Myers, Lisamarie Tringe, Susannah G. TI Patterns in Wetland Microbial Community Composition and Functional Gene Repertoire Associated with Methane Emissions SO MBIO LA English DT Article ID SAN-JOAQUIN DELTA; SULFATE-REDUCING BACTERIA; METHANOGENIC BACTERIA; PLANT COMMUNITY; SP. NOV.; CARBON; OXIDATION; SOIL; METHANOTROPHS; SACRAMENTO AB Wetland restoration on peat islands previously drained for agriculture has potential to reverse land subsidence and sequester atmospheric carbon dioxide as peat accretes. However, the emission of methane could potentially offset the greenhouse gas benefits of captured carbon. As microbial communities play a key role in governing wetland greenhouse gas fluxes, we are interested in how microbial community composition and functions are associated with wetland hydrology, biogeochemistry, and methane emission, which is critical to modeling the microbial component in wetland methane fluxes and to managing restoration projects for maximal carbon sequestration. Here, we couple sequence-based methods with biogeochemical and greenhouse gas measurements to interrogate microbial communities from a pilot-scale restored wetland in the Sacramento-San Joaquin Delta of California, revealing considerable spatial heterogeneity even within this relatively small site. A number of microbial populations and functions showed strong correlations with electron acceptor availability and methane production; some also showed a preference for association with plant roots. Marker gene phylogenies revealed a diversity of major methane-producing and -consuming populations and suggested novel diversity within methanotrophs. Methanogenic archaea were observed in all samples, as were nitrate-, sulfate-, and metal-reducing bacteria, indicating that no single terminal electron acceptor was preferred despite differences in energetic favorability and suggesting spatial microheterogeneity and microniches. Notably, methanogens were negatively correlated with nitrate-, sulfate-, and metal-reducing bacteria and were most abundant at sampling sites with high peat accretion and low electron acceptor availability, where methane production was highest. IMPORTANCE Wetlands are the largest nonanthropogenic source of atmospheric methane but also a key global carbon reservoir. Characterizing belowground microbial communities that mediate carbon cycling in wetlands is critical to accurately predicting their responses to changes in land management and climate. Here, we studied a restored wetland and revealed substantial spatial heterogeneity in biogeochemistry, methane production, and microbial communities, largely associated with the wetland hydraulic design. We observed patterns in microbial community composition and functions correlated with biogeochemistry and methane production, including diverse microorganisms involved in methane production and consumption. We found that methanogenesis gene abundance is inversely correlated with genes from pathways exploiting other electron acceptors, yet the ubiquitous presence of genes from all these pathways suggests that diverse electron acceptors contribute to the energetic balance of the ecosystem. These investigations represent an important step toward effective management of wetlands to reduce methane flux to the atmosphere and enhance belowground carbon storage. C1 [He, Shaomei; Malfatti, Stephanie A.; Pati, Amrita; Huntemann, Marcel; Tremblay, Julien; del Rio, Tijana Glavina; Tringe, Susannah G.] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. [McFarland, Jack W.; Anderson, Frank E.; Waldrop, Mark P.; Windham-Myers, Lisamarie] US Geol Survey, Menlo Pk, CA 94025 USA. [Malfatti, Stephanie A.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Tringe, SG (reprint author), DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. EM sgtringe@lbl.gov OI Tringe, Susannah/0000-0001-6479-8427; Waldrop, Mark/0000-0003-1829-7140 FU DOE Early Career Research Program [KP/CH57/1]; DOE JGI Community Sequencing Program; USGS Climate and Land Use Change Program; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This project was funded by the DOE Early Career Research Program, grant no. KP/CH57/1; the DOE JGI Community Sequencing Program; and the USGS Climate and Land Use Change Program. The work conducted by the U.S. Department of Energy Joint Genome Institute is supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 69 TC 5 Z9 5 U1 12 U2 64 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 2150-7511 J9 MBIO JI mBio PD MAY-JUN PY 2015 VL 6 IS 3 AR e00066-15 DI 10.1128/mBio.00066-15 PG 15 WC Microbiology SC Microbiology GA CM7JH UT WOS:000357867400002 PM 25991679 ER PT J AU Melnyk, RA Youngblut, MD Clark, IC Carlson, HK Wetmore, KM Price, MN Iavarone, AT Deutschbauer, AM Arkin, AP Coates, JD AF Melnyk, Ryan A. Youngblut, Matthew D. Clark, Iain C. Carlson, Hans K. Wetmore, Kelly M. Price, Morgan N. Iavarone, Anthony T. Deutschbauer, Adam M. Arkin, Adam P. Coates, John D. TI Novel Mechanism for Scavenging of Hypochlorite Involving a Periplasmic Methionine-Rich Peptide and Methionine Sulfoxide Reductase SO MBIO LA English DT Article ID ESCHERICHIA-COLI; OXIDATIVE STRESS; TRANSCRIPTION FACTOR; REACTIVE CHLORINE; PERCHLORATE REDUCTION; PROTEINS; IDENTIFICATION; PURIFICATION; METABOLISM; DISMUTASE AB Reactive chlorine species (RCS) defense mechanisms are important for bacterial fitness in diverse environments. In addition to the anthropogenic use of RCS in the form of bleach, these compounds are also produced naturally through photochemical reactions of natural organic matter and in vivo by the mammalian immune system in response to invading microorganisms. To gain insight into bacterial RCS defense mechanisms, we investigated Azospira suillum strain PS, which produces periplasmic RCS as an intermediate of perchlorate respiration. Our studies identified an RCS response involving an RCS stress-sensing sigma/anti-sigma factor system (SigF/NrsF), a soluble hypochlorite-scavenging methionine-rich periplasmic protein (MrpX), and a putative periplasmic methionine sulfoxide reductase (YedY1). We investigated the underlying mechanism by phenotypic characterization of appropriate gene deletions, chemogenomic profiling of barcoded transposon pools, transcriptome sequencing, and biochemical assessment of methionine oxidation. Our results demonstrated that SigF was specifically activated by RCS and initiated the transcription of a small regulon centering around yedY1 and mrpX. A yedY1 paralog (yedY2) was found to have a similar fitness to yedY1 despite not being regulated by SigF. Markerless deletions of yedY2 confirmed its synergy with the SigF regulon. MrpX was strongly induced and rapidly oxidized by RCS, especially hypochlorite. Our results suggest a mechanism involving hypochlorite scavenging by sacrificial oxidation of the MrpX in the periplasm. Reduced MrpX is regenerated by the YedY methionine sulfoxide reductase activity. The phylogenomic distribution of this system revealed conservation in several Proteobacteria of clinical importance, including uropathogenic Escherichia coli and Brucella spp., implying a putative role in immune response evasion in vivo. IMPORTANCE Bacteria are often stressed in the environment by reactive chlorine species (RCS) of either anthropogenic or natural origin, but little is known of the defense mechanisms they have evolved. Using a microorganism that generates RCS internally as part of its respiratory process allowed us to uncover a novel defense mechanism based on RCS scavenging by reductive reaction with a sacrificial methionine-rich peptide and redox recycling through a methionine sulfoxide reductase. This system is conserved in a broad diversity of organisms, including some of clinical importance, invoking a possible important role in innate immune system evasion. C1 [Melnyk, Ryan A.; Youngblut, Matthew D.; Clark, Iain C.; Carlson, Hans K.; Coates, John D.] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. [Melnyk, Ryan A.; Youngblut, Matthew D.; Clark, Iain C.; Carlson, Hans K.; Coates, John D.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Melnyk, Ryan A.; Youngblut, Matthew D.; Clark, Iain C.; Carlson, Hans K.; Coates, John D.] Lawrence Berkeley Natl Lab, Phys Biosci, Berkeley, CA USA. [Iavarone, Anthony T.] Univ Calif Berkeley, Chem Mass Spectrometry Fac QB3, Berkeley, CA 94720 USA. RP Coates, JD (reprint author), Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. EM jdcoates@berkeley.edu RI Arkin, Adam/A-6751-2008 OI Arkin, Adam/0000-0002-4999-2931 FU Energy Biosciences Institute; Philomathia graduate student fellowship; NIH [S10RR029668, S10RR027303] FX Work on perchlorate and reactive chlorine species in the laboratory of J.D.C. is funded via the Energy Biosciences Institute. R.A.M. would also like to acknowledge financial support from a Philomathia graduate student fellowship. This work used the Vincent J. Coates Genomics Sequencing Laboratory at UC Berkeley, supported by NIH S10 Instrumentation grants S10RR029668 and S10RR027303. Computational analyses were carried out at the Computational Genomics Resource Laboratory, which is part of the California Institute for Quantitative Biosciences. NR 42 TC 6 Z9 6 U1 4 U2 13 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 2150-7511 J9 MBIO JI mBio PD MAY-JUN PY 2015 VL 6 IS 3 AR e00233-15 DI 10.1128/mBio.00233-15 PG 8 WC Microbiology SC Microbiology GA CM7JH UT WOS:000357867400011 PM 25968643 ER PT J AU Murfin, KE Lee, MM Klassen, JL McDonald, BR Larget, B Forst, S Stock, SP Currie, CR Goodrich-Blair, H AF Murfin, Kristen E. Lee, Ming-Min Klassen, Jonathan L. McDonald, Bradon R. Larget, Bret Forst, Steven Stock, S. Patricia Currie, Cameron R. Goodrich-Blair, Heidi TI Xenorhabdus bovienii Strain Diversity Impacts Coevolution and Symbiotic Maintenance with Steinernema spp. Nematode Hosts SO MBIO LA English DT Article ID MULTIPLE SEQUENCE ALIGNMENT; BACTERIAL SYMBIONTS; ENTOMOPATHOGENIC NEMATODES; EVOLUTIONARY RELATIONSHIPS; MUTUALISTIC ASSOCIATION; GAMMA-PROTEOBACTERIA; SEPIOLID SQUID; GENE-CLUSTER; NEMATOPHILA; CARPOCAPSAE AB Microbial symbionts provide benefits that contribute to the ecology and fitness of host plants and animals. Therefore, the evolutionary success of plants and animals fundamentally depends on long-term maintenance of beneficial associations. Most work investigating coevolution and symbiotic maintenance has focused on species-level associations, and studies are lacking that assess the impact of bacterial strain diversity on symbiotic associations within a coevolutionary framework. Here, we demonstrate that fitness in mutualism varies depending on bacterial strain identity, and this is consistent with variation shaping phylogenetic patterns and maintenance through fitness benefits. Through genome sequencing of nine bacterial symbiont strains and cophylogenetic analysis, we demonstrate diversity among Xenorhabdus bovienii bacteria. Further, we identified cocladogenesis between Steinernema feltiae nematode hosts and their corresponding X. bovienii symbiont strains, indicating potential specificity within the association. To test the specificity, we performed laboratory crosses of nematode hosts with native and nonnative symbiont strains, which revealed that combinations with the native bacterial symbiont and closely related strains performed significantly better than those with more divergent symbionts. Through genomic analyses we also defined potential factors contributing to specificity between nematode hosts and bacterial symbionts. These results suggest that strainlevel diversity (e.g., subspecies-level differences) in microbial symbionts can drive variation in the success of host-microbe associations, and this suggests that these differences in symbiotic success could contribute to maintenance of the symbiosis over an evolutionary time scale. IMPORTANCE Beneficial symbioses between microbes and plant or animal hosts are ubiquitous, and in these associations, microbial symbionts provide key benefits to their hosts. As such, host success is fundamentally dependent on long-term maintenance of beneficial associations. Prolonged association between partners in evolutionary time is expected to result in interactions in which only specific partners can fully support symbiosis. The contribution of bacterial strain diversity on specificity and coevolution in a beneficial symbiosis remains unclear. In this study, we demonstrate that strain-level differences in fitness benefits occur in beneficial host-microbe interactions, and this variation likely shapes phylogenetic patterns and symbiotic maintenance. This highlights that symbiont contributions to host biology can vary significantly based on very-fine-scale differences among members of a microbial species. Further, this work emphasizes the need for greater phylogenetic resolution when considering the causes and consequences of host-microbe interactions. C1 [Murfin, Kristen E.; Klassen, Jonathan L.; McDonald, Bradon R.; Currie, Cameron R.; Goodrich-Blair, Heidi] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. [Lee, Ming-Min; Stock, S. Patricia] Univ Arizona, Dept Entomol, Tucson, AZ 85721 USA. [McDonald, Bradon R.; Currie, Cameron R.] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI USA. [Larget, Bret] Univ Wisconsin, Dept Stat, Madison, WI 53706 USA. [Larget, Bret] Univ Wisconsin, Dept Bot, Madison, WI USA. [Forst, Steven] Univ Wisconsin, Dept Biol Sci, Milwaukee, WI 53201 USA. RP Goodrich-Blair, H (reprint author), Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. EM hgblair@bact.wisc.edu OI Klassen, Jonathan/0000-0003-1745-8838 FU National Science Foundation [IOS-0920631, IOS-0919912, IOS-0919565]; National Institutes of Health (NIH) National Research Service award [T32 AI55397]; Louis and Elsa Thomsen Distinguished Predoctoral Fellowship; NIH National Research Service Award [T32 GM07215]; Department of Energy Great Lakes Bioenergy Research Center (DOE Office of Science) [BER DE-FC02-07ER64494]; National Science and Engineering Research Council of Canada (NSERC Canada) FX This study was supported by a collaborative grant from the National Science Foundation to H.G.-B. (IOS-0920631), S.F. (IOS-0919912), and S.P.S. (IOS-0919565). K.E.M. was also supported by the National Institutes of Health (NIH) National Research Service award T32 AI55397 and a Louis and Elsa Thomsen Distinguished Predoctoral Fellowship. B.R.M. was supported by NIH National Research Service Award T32 GM07215 and the Department of Energy Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494). J.L.K. was supported by a National Science and Engineering Research Council of Canada (NSERC Canada) postdoctoral fellowship. NR 68 TC 10 Z9 10 U1 6 U2 28 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 2150-7511 J9 MBIO JI mBio PD MAY-JUN PY 2015 VL 6 IS 3 AR e00076-15 DI 10.1128/mBio.00076-15 PG 10 WC Microbiology SC Microbiology GA CM7JH UT WOS:000357867400004 PM 26045536 ER PT J AU Smith, MB Rocha, AM Smillie, CS Olesen, SW Paradis, C Wu, LY Campbell, JH Fortney, JL Mehlhorn, TL Lowe, KA Earles, JE Phillips, J Techtmann, SM Joyner, DC Elias, DA Bailey, KL Hurt, RA Preheim, SP Sanders, MC Yang, J Mueller, MA Brooks, S Watson, DB Zhang, P He, ZL Dubinsky, EA Adams, PD Arkin, AP Fields, MW Zhou, JZ Alm, EJ Hazen, TC AF Smith, Mark B. Rocha, Andrea M. Smillie, Chris S. Olesen, Scott W. Paradis, Charles Wu, Liyou Campbell, James H. Fortney, Julian L. Mehlhorn, Tonia L. Lowe, Kenneth A. Earles, Jennifer E. Phillips, Jana Techtmann, Steve M. Joyner, Dominique C. Elias, Dwayne A. Bailey, Kathryn L. Hurt, Richard A., Jr. Preheim, Sarah P. Sanders, Matthew C. Yang, Joy Mueller, Marcella A. Brooks, Scott Watson, David B. Zhang, Ping He, Zhili Dubinsky, Eric A. Adams, Paul D. Arkin, Adam P. Fields, Matthew W. Zhou, Jizhong Alm, Eric J. Hazen, Terry C. TI Natural Bacterial Communities Serve as Quantitative Geochemical Biosensors SO MBIO LA English DT Article ID 16S RIBOSOMAL-RNA; SUPERVISED CLASSIFICATION; MICROBIAL BIOSENSORS; DEGRADING BACTERIA; DATABASE; ECOLOGY; WATER; SOIL AB Biological sensors can be engineered to measure a wide range of environmental conditions. Here we show that statistical analysis of DNA from natural microbial communities can be used to accurately identify environmental contaminants, including uranium and nitrate at a nuclear waste site. In addition to contamination, sequence data from the 16S rRNA gene alone can quantitatively predict a rich catalogue of 26 geochemical features collected from 93 wells with highly differing geochemistry characteristics. We extend this approach to identify sites contaminated with hydrocarbons from the Deepwater Horizon oil spill, finding that altered bacterial communities encode a memory of prior contamination, even after the contaminants themselves have been fully degraded. We show that the bacterial strains that are most useful for detecting oil and uranium are known to interact with these substrates, indicating that this statistical approach uncovers ecologically meaningful interactions consistent with previous experimental observations. Future efforts should focus on evaluating the geographical generalizability of these associations. Taken as a whole, these results indicate that ubiquitous, natural bacterial communities can be used as in situ environmental sensors that respond to and capture perturbations caused by human impacts. These in situ biosensors rely on environmental selection rather than directed engineering, and so this approach could be rapidly deployed and scaled as sequencing technology continues to become faster, simpler, and less expensive. IMPORTANCE Here we show that DNA from natural bacterial communities can be used as a quantitative biosensor to accurately distinguish unpolluted sites from those contaminated with uranium, nitrate, or oil. These results indicate that bacterial communities can be used as environmental sensors that respond to and capture perturbations caused by human impacts. C1 [Smith, Mark B.; Alm, Eric J.] MIT, Microbiol Grad Program, Cambridge, MA USA. [Rocha, Andrea M.; Campbell, James H.; Elias, Dwayne A.; Bailey, Kathryn L.; Hurt, Richard A., Jr.; Hazen, Terry C.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Smillie, Chris S.; Yang, Joy; Alm, Eric J.] MIT, Computat & Syst Biol Initiat, Cambridge, MA USA. [Olesen, Scott W.; Preheim, Sarah P.; Sanders, Matthew C.; Alm, Eric J.] MIT, Biol Engn Dept, Cambridge, MA USA. [Paradis, Charles; Hazen, Terry C.] Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN USA. [Wu, Liyou; Zhang, Ping; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Fortney, Julian L.; Techtmann, Steve M.; Joyner, Dominique C.; Hazen, Terry C.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN USA. [Mehlhorn, Tonia L.; Lowe, Kenneth A.; Earles, Jennifer E.; Phillips, Jana; Mueller, Marcella A.; Brooks, Scott; Watson, David B.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Dubinsky, Eric A.; Adams, Paul D.; Arkin, Adam P.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Fields, Matthew W.] Montana State Univ, Dept Microbiol & Immunol, Bozeman, MT 59717 USA. [Hazen, Terry C.] Univ Tennessee, Dept Microbiol, Knoxville, TN USA. [Adams, Paul D.; Arkin, Adam P.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Campbell, James H.] NW Missouri State Univ, Dept Nat Sci, Maryville, MO 64468 USA. RP Hazen, TC (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. EM tchazen@utk.edu RI Watson, David/C-3256-2016; Adams, Paul/A-1977-2013; Arkin, Adam/A-6751-2008; Dubinsky, Eric/D-3787-2015; Hazen, Terry/C-1076-2012; OI Watson, David/0000-0002-4972-4136; Adams, Paul/0000-0001-9333-8219; Arkin, Adam/0000-0002-4999-2931; Dubinsky, Eric/0000-0002-9420-6661; Hazen, Terry/0000-0002-2536-9993; Rocha, Andrea M./0000-0002-8471-9463 FU Oak Ridge National Laboratory [DE-AC05-00OR22725]; U.S. Department of Energy, Office of Science, Office of Biological & Environmental Research; National Science Foundation [0821391]; ENIGMA-Ecosystems and Networks Integrated with Genes and Molecular Assemblies a Scientific Focus Area Program at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This material by ENIGMA-Ecosystems and Networks Integrated with Genes and Molecular Assemblies (http://enigma.lbl.gov)-a Scientific Focus Area Program at Lawrence Berkeley National Laboratory under contract number DE-AC02-05CH11231 and funded in part by Oak Ridge National Laboratory under contract DE-AC05-00OR22725, is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Biological & Environmental Research, and using computing resources partly supported by the National Science Foundation under grant no. 0821391 to Massachusetts Institute of Technology. NR 41 TC 9 Z9 9 U1 6 U2 41 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 2150-7511 J9 MBIO JI mBio PD MAY-JUN PY 2015 VL 6 IS 3 AR e00326-15 DI 10.1128/mBio.00326-15 PG 13 WC Microbiology SC Microbiology GA CM7JH UT WOS:000357867400020 PM 25968645 ER PT J AU Wetmore, KM Price, MN Waters, RJ Lamson, JS He, J Hoover, CA Blow, MJ Bristow, J Butland, G Arkin, AP Deutschbauer, A AF Wetmore, Kelly M. Price, Morgan N. Waters, Robert J. Lamson, Jacob S. He, Jennifer Hoover, Cindi A. Blow, Matthew J. Bristow, James Butland, Gareth Arkin, Adam P. Deutschbauer, Adam TI Rapid Quantification of Mutant Fitness in Diverse Bacteria by Sequencing Randomly Bar-Coded Transposons SO MBIO LA English DT Article ID ESCHERICHIA-COLI; GENETIC-ANALYSIS; GENOME; MICROORGANISMS; SYSTEMS; IDENTIFICATION; MUTAGENESIS; LIBRARIES; ALIGNMENT; PATHOGEN AB Transposon mutagenesis with next-generation sequencing (TnSeq) is a powerful approach to annotate gene function in bacteria, but existing protocols for TnSeq require laborious preparation of every sample before sequencing. Thus, the existing protocols are not amenable to the throughput necessary to identify phenotypes and functions for the majority of genes in diverse bacteria. Here, we present a method, random bar code transposon-site sequencing (RB-TnSeq), which increases the throughput of mutant fitness profiling by incorporating random DNA bar codes into Tn5 and mariner transposons and by using bar code sequencing (BarSeq) to assay mutant fitness. RB-TnSeq can be used with any transposon, and TnSeq is performed once per organism instead of once per sample. Each BarSeq assay requires only a simple PCR, and 48 to 96 samples can be sequenced on one lane of an Illumina HiSeq system. We demonstrate the reproducibility and biological significance of RB-TnSeq with Escherichia coli, Phaeobacter inhibens, Pseudomonas stutzeri, Shewanella amazonensis, and Shewanella oneidensis. To demonstrate the increased throughput of RB-TnSeq, we performed 387 successful genome-wide mutant fitness assays representing 130 different bacterium-carbon source combinations and identified 5,196 genes with significant phenotypes across the five bacteria. In P. inhibens, we used our mutant fitness data to identify genes important for the utilization of diverse carbon substrates, including a putative D-mannose isomerase that is required for mannitol catabolism. RB-TnSeq will enable the cost-effective functional annotation of diverse bacteria using mutant fitness profiling. IMPORTANCE A large challenge in microbiology is the functional assessment of the millions of uncharacterized genes identified by genome sequencing. Transposon mutagenesis coupled to next-generation sequencing (TnSeq) is a powerful approach to assign phenotypes and functions to genes. However, the current strategies for TnSeq are too laborious to be applied to hundreds of experimental conditions across multiple bacteria. Here, we describe an approach, random bar code transposon-site sequencing (RB-TnSeq), which greatly simplifies the measurement of gene fitness by using bar code sequencing (BarSeq) to monitor the abundance of mutants. We performed 387 genome-wide fitness assays across five bacteria and identified phenotypes for over 5,000 genes. RB-TnSeq can be applied to diverse bacteria and is a powerful tool to annotate uncharacterized genes using phenotype data. C1 [Wetmore, Kelly M.; Price, Morgan N.; Lamson, Jacob S.; Arkin, Adam P.; Deutschbauer, Adam] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Waters, Robert J.; Hoover, Cindi A.; Blow, Matthew J.; Bristow, James] Lawrence Berkeley Natl Lab, Joint Genome Inst, Walnut Creek, CA USA. [He, Jennifer; Butland, Gareth] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. [He, Jennifer; Butland, Gareth] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Arkin, AP (reprint author), Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM aparkin@lbl.gov; amdeutschbauer@lbl.gov RI Blow, Matthew/G-6369-2012; Arkin, Adam/A-6751-2008 OI Blow, Matthew/0000-0002-8844-9149; Arkin, Adam/0000-0002-4999-2931 FU ENIGMA; Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy [DE-AC02-05CH11231]; Berkeley Lab, Office of Science, of the U.S. Department of Energy [DE-AC02-05CH11231]; Community Science Project from the Joint Genome Institute; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX RB-TnSeq development was funded by ENIGMA. The work conducted by ENIGMA was supported by the Office of Science, Office of Biological and Environmental Research of the U.S. Department of Energy, under contract DE-AC02-05CH11231. The P. inhibens, E. coli, and S. amazonensis BarSeq mutant fitness data were supported by Laboratory Directed Research and Development (LDRD) funding from Berkeley Lab, provided by the Director, Office of Science, of the U.S. Department of Energy under contract DE-AC02-05CH11231 and a Community Science Project from the Joint Genome Institute to M.J.B., J.B., A. P. A., and A.D. The work conducted by the U.S. Department of Energy Joint Genome Institute, a DOE Office of Science User Facility, is supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 38 TC 14 Z9 14 U1 6 U2 25 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 2150-7511 J9 MBIO JI mBio PD MAY-JUN PY 2015 VL 6 IS 3 AR e00306-15 DI 10.1128/mBio.00306-15 PG 15 WC Microbiology SC Microbiology GA CM7JH UT WOS:000357867400017 PM 25968644 ER PT J AU Xue, H Cordero, OX Camas, FM Trimble, W Meyer, F Guglielmini, J Rocha, EPC Polz, MF AF Xue, Hong Cordero, Otto X. Camas, Francisco M. Trimble, William Meyer, Folker Guglielmini, Julien Rocha, Eduardo P. C. Polz, Martin F. TI Eco-Evolutionary Dynamics of Episomes among Ecologically Cohesive Bacterial Populations SO MBIO LA English DT Article ID MOBILE GENETIC ELEMENTS; ESCHERICHIA-COLI; BACILLUS-THURINGIENSIS; RESISTANCE PLASMID; ORTHOLOG GROUPS; IDENTIFICATION; VIBRIONACEAE; VIRULENCE; SYSTEMS; BACTERIOPLANKTON AB Although plasmids and other episomes are recognized as key players in horizontal gene transfer among microbes, their diversity and dynamics among ecologically structured host populations in the wild remain poorly understood. Here, we show that natural populations of marine Vibrionaceae bacteria host large numbers of families of episomes, consisting of plasmids and a surprisingly high fraction of plasmid-like temperate phages. Episomes are unevenly distributed among host populations, and contrary to the notion that high-density communities in biofilms act as hot spots of gene transfer, we identified a strong bias for episomes to occur in free-living as opposed to particle-attached cells. Mapping of episomal families onto host phylogeny shows that, with the exception of all phage and a few plasmid families, most are of recent evolutionary origin and appear to have spread rapidly by horizontal transfer. Such high eco-evolutionary turnover is particularly surprising for plasmids that are, based on previously suggested categorization, putatively nontransmissible, indicating that this type of plasmid is indeed frequently transferred by currently unknown mechanisms. Finally, analysis of recent gene transfer among plasmids reveals a network of extensive exchange connecting nearly all episomes. Genes functioning in plasmid transfer and maintenance are frequently exchanged, suggesting that plasmids can be rapidly transformed from one category to another. The broad distribution of episomes among distantly related hosts and the observed promiscuous recombination patterns show how episomes can offer their hosts rapid assembly and dissemination of novel functions. IMPORTANCE Plasmids and other episomes are an integral part of bacterial biology in all environments, yet their study is heavily biased toward their role as vectors for antibiotic resistance genes. This study presents a comprehensive analysis of all episomes within several coexisting bacterial populations of Vibrionaceae from the coastal ocean and represents the largest-yet genomic survey of episomes from a single bacterial family. The host population framework allows analysis of the eco-evolutionary dynamics at unprecedented resolution, yielding several unexpected results. These include (i) discovery of novel, nonintegrative temperate phages, (ii) revision of a class of episomes, previously termed "nontransmissible," as highly transmissible, and (iii) surprisingly high evolutionary turnover of episomes, manifest as frequent birth, spread, and loss. C1 [Xue, Hong; Polz, Martin F.] MIT, Parsons Lab Environm Sci & Engn, Cambridge, MA 02139 USA. [Cordero, Otto X.] ETH, Dept Environm Syst Sci, Zurich, Switzerland. [Camas, Francisco M.] MIT, Dept Biol Engn, Cambridge, MA 02139 USA. [Trimble, William; Meyer, Folker] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Guglielmini, Julien; Rocha, Eduardo P. C.] Inst Pasteur, Microbial Evolutionary Genom, Paris, France. [Guglielmini, Julien; Rocha, Eduardo P. C.] CNRS, UMR3525, Paris, France. RP Polz, MF (reprint author), MIT, Parsons Lab Environm Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM mpolz@mit.edu RI Rocha, Eduardo/B-7009-2009; Guglielmini, Julien/E-8029-2011; OI Rocha, Eduardo/0000-0001-7704-822X; Guglielmini, Julien/0000-0002-8566-1726; /0000-0001-9296-3733; Trimble, William L./0000-0001-7029-2676 FU National Science Foundation FX This work was supported by a grant from the National Science Foundation Biological Oceanography Program. NR 66 TC 3 Z9 3 U1 4 U2 11 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 2150-7511 J9 MBIO JI mBio PD MAY-JUN PY 2015 VL 6 IS 3 AR e00552-15 DI 10.1128/mBio.00552-15 PG 10 WC Microbiology SC Microbiology GA CM7JH UT WOS:000357867400047 PM 25944863 ER PT J AU Attalah, S Waller, PM Khawam, G Ryan, RD Huesemann, MH AF Attalah, S. Waller, P. M. Khawam, G. Ryan, R. D. Huesemann, M. H. TI ENERGY PRODUCTIVITY OF THE HIGH VELOCITY ALGAE RACEWAY INTEGRATED DESIGN (ARID-HV) SO APPLIED ENGINEERING IN AGRICULTURE LA English DT Article DE ARID; ARID-HV; Algae; Chlorella; Energy; Pumps; Raceway; Simulation ID SHALLOW OUTDOOR FLUME; PHOTOBIOREACTORS; MODEL AB The original Algae Raceway Integrated Design (ARID) raceway was an effective method to increase algae culture temperature in open raceways. However, the energy input was high and flow mixing was poor. Thus, the High Velocity Algae Raceway Integrated Design (ARID-HV) raceway was developed to reduce energy input requirements and improve flow mixing in a serpentine flow path. A prototype ARID-HV system was installed in Tucson, Arizona. Based on algae growth simulation and hydraulic analysis, an optimal ARID-HV raceway was designed, and the electrical energy input requirement (kWh hd(-1) d(-1)) was calculated. An algae growth model was used to compare the productivity of ARID-HV and conventional raceways. The model uses a pond surface energy balance to calculate water temperature as a function of environmental parameters. Algae growth and biomass loss are calculated based on rate constants during day and night, respectively. A 10 year simulation of DOE strain 1412 (Chlorella sorokiniana) showed that the ARID-HV raceway had significantly higher production than a conventional raceway for all months of the year in Tucson, Arizona. It should be noted that this difference is species and climate specific and is not observed in other climates and with Other algae species. The algae growth model results and electrical energy input evaluation were used to compare the energy productivity (algae production rate/energy input) of the ARID-HV and conventional raceways for Chlorella sorokiniana in Tucson, Arizona. The energy productivity of the ARID-HV raceway was significantly greater than the energy productivity of a conventional raceway for all months of the year. C1 [Attalah, S.; Waller, P. M.; Khawam, G.] Univ Arizona, Dept Agr & Biosyst Engn, Tucson, AZ 85721 USA. [Ryan, R. D.] Univ Arizona, Coll Agr, Arizona Agr Expt Stn, Tucson, AZ 85721 USA. [Huesemann, M. H.] Pacific NW Natl Lab, Marine Sci Lab, Coastal Biogeochem Grp, Sequim, WA USA. RP Attalah, S (reprint author), Univ Arizona, Dept Agr & Biosyst Engn, 1177 E 4th St Shantz 403, Tucson, AZ 85721 USA. EM sattalah@email.arizona.edu OI Waller, Peter/0000-0002-1696-3800 FU Science Foundation Arizona (SEA); United States Department of Energy (DOE); National Alliance for Advanced Biofuels and Bio-products (NAABB); Arizona Center for Algae Technology and Innovation (AZCATI); University of Arizona, College of Agriculture FX The authors wish to thank Science Foundation Arizona (SEA), United States Department of Energy (DOE), National Alliance for Advanced Biofuels and Bio-products (NAABB), Arizona Center for Algae Technology and Innovation (AZCATI), and the University of Arizona, College of Agriculture, for supporting this work. NR 16 TC 0 Z9 0 U1 1 U2 4 PU AMER SOC AGRICULTURAL & BIOLOGICAL ENGINEERS PI ST JOSEPH PA 2950 NILES RD, ST JOSEPH, MI 49085-9659 USA SN 0883-8542 EI 1943-7838 J9 APPL ENG AGRIC JI Appl. Eng. Agric. PD MAY PY 2015 VL 31 IS 3 BP 365 EP 375 PG 11 WC Agricultural Engineering SC Agriculture GA CM3AR UT WOS:000357554000004 ER PT J AU Moreschini, L Autes, G Crepaldi, A Moser, S Johannsen, JC Kim, KS Berger, H Bugnon, P Magrez, A Denlinger, J Rotenberg, E Bostwick, A Yazyev, OV Grioni, M AF Moreschini, L. Autes, G. Crepaldi, A. Moser, S. Johannsen, J. C. Kim, K. S. Berger, H. Bugnon, Ph. Magrez, A. Denlinger, J. Rotenberg, E. Bostwick, A. Yazyev, O. V. Grioni, M. TI Bulk and surface band structure of the new family of semiconductors BiTeX (X=I, Br, Cl) SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA LA English DT Article DE Rashba states; Spin-orbit splitting; Tellurohalides; Angle-resolved photoemission AB We present an overview of the new family of semiconductors BiTeX (X = I, Br, Cl) from the perspective of angle resolved photoemission spectroscopy. The strong band bending occurring at the surface potentially endows them with a large flexibility, as they are capable of hosting both hole and electron conduction, and can be modified by inclusion or adsorption of foreign atoms. In addition, their trigonal crystal structure lacks a center of symmetry and allows for both bulk and surface spin-split bands at the Fermi level. We elucidate analogies and differences among the three materials, also in the light of recent theoretical and experimental work. (C) 2014 Elsevier B.V. All rights reserved. C1 [Moreschini, L.; Moser, S.; Kim, K. S.; Denlinger, J.; Rotenberg, E.; Bostwick, A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, ALS, Berkeley, CA 94720 USA. [Autes, G.; Yazyev, O. V.] Ecole Polytech Fed Lausanne, Inst Theoret Phys, CH-1015 Lausanne, Switzerland. [Crepaldi, A.; Moser, S.; Johannsen, J. C.; Berger, H.; Bugnon, Ph.; Magrez, A.; Grioni, M.] Ecole Polytech Fed Lausanne, Inst Condensed Matter Phys, CH-1015 Lausanne, Switzerland. [Kim, K. S.] Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea. [Kim, K. S.] Inst for Basic Sci Korea, Ctr Artificial Low Dimens Elect Syst, Pohang 790784, South Korea. RP Moreschini, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, ALS, Berkeley, CA 94720 USA. EM lmoreschini@lbl.gov RI Yazyev, Oleg/A-4073-2008; EPFL, Physics/O-6514-2016; Rotenberg, Eli/B-3700-2009 OI Yazyev, Oleg/0000-0001-7281-3199; Rotenberg, Eli/0000-0002-3979-8844 FU Swiss NSF [PP00P2-133552, PA00P21-36420]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Swiss National Supercomputing Centre (CSCS) [s515] FX We acknowledge support by the Swiss NSF, namely through grants No. PP00P2-133552 (G.A. and O.V.Y) and PA00P21-36420 (L.M.). We thank Yeongkwan Kim and Beomyoung Kim for technical support on Merlin. 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. Electronic structure calculations have been performed at the Swiss National Supercomputing Centre (CSCS) under project s515. NR 42 TC 7 Z9 7 U1 6 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0368-2048 EI 1873-2526 J9 J ELECTRON SPECTROSC JI J. Electron Spectrosc. Relat. Phenom. PD MAY PY 2015 VL 201 SI SI BP 115 EP 120 DI 10.1016/j.elspec.2014.11.004 PG 6 WC Spectroscopy SC Spectroscopy GA CM7XJ UT WOS:000357909500021 ER PT J AU Shanavas, KV AF Shanavas, K. V. TI Overview of theoretical studies of Rashba effect in polar perovskite surfaces SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA LA English DT Article DE Rashba; First-principles; DFT; Tight-binding; Polar perovskites ID INTERFACES; PLANE AB Theoretical studies with the help of first-principles electronic structure calculations and tight-binding based Hamiltonian models aimed to understand the Rashba effect in the 2D electron gas at the surfaces and interfaces of polar perovskite oxides are discussed. First-principles calculations on a slab of KTaO3 show that the spin-splitting is orbital dependent and is greatly suppressed by the lattice relaxation close to the surface. However, the electron gas is amenable to tuning by external potentials perpendicular to the surface and can be used to control Rashba splitting. Construction of a minimal model Hamiltonian to study d orbitals under uniform electric field is explained. The potential introduces new matrix elements between orbitals by breaking the symmetry and distorting the lattice. When coupled with spin orbit interaction, this results in lifting the spin degeneracy. (C) 2014 Elsevier B.V. All rights reserved. C1 [Shanavas, K. V.] Univ Missouri, Dept Phys, Columbia, MO 65211 USA. [Shanavas, K. V.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Shanavas, KV (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM kavungalvees@ornl.gov FU U.S. Department of Energy [DE-FG02-00ER45818]; DOE, Basic Energy Sciences, Material Sciences and Engineering Division FX The work done at MU was supported by the U.S. Department of Energy through Grant No. DE-FG02-00ER45818. The work at ORNL was supported by DOE, Basic Energy Sciences, Material Sciences and Engineering Division. The author wish to thank Sashi Satpathy and David Parker for useful discussions. NR 30 TC 3 Z9 3 U1 4 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0368-2048 EI 1873-2526 J9 J ELECTRON SPECTROSC JI J. Electron Spectrosc. Relat. Phenom. PD MAY PY 2015 VL 201 SI SI BP 121 EP 126 DI 10.1016/j.elspec.2014.08.005 PG 6 WC Spectroscopy SC Spectroscopy GA CM7XJ UT WOS:000357909500022 ER PT J AU de Soria-Santacruz, M Li, W Thorne, RM Ma, Q Bortnik, J Ni, B Kletzing, CA Kurth, WS Hospodarsky, GB Spence, HE Reeves, GD Blake, JB Fennell, JF AF de Soria-Santacruz, M. Li, W. Thorne, R. M. Ma, Q. Bortnik, J. Ni, B. Kletzing, C. A. Kurth, W. S. Hospodarsky, G. B. Spence, H. E. Reeves, G. D. Blake, J. B. Fennell, J. F. TI Analysis of plasmaspheric hiss wave amplitudes inferred from low-altitude POES electron data: Technique sensitivity analysis SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID DISCRETE CHORUS EMISSIONS; RADIATION BELT; RELATIVISTIC ELECTRONS; PROPAGATION ANALYSIS; RESONANT SCATTERING; PRECIPITATION; EVOLUTION; PARTICLE; ORIGIN; MODEL AB A novel technique capable of inferring wave amplitudes from low-altitude electron measurements from the Polar Operational Environmental Satellites (POES) spacecraft has been previously proposed to construct a global dynamic model of chorus and plasmaspheric hiss waves. In this paper we focus on plasmaspheric hiss, which is an incoherent broadband emission that plays a dominant role in the loss of energetic electrons from the inner magnetosphere. We analyze the sensitivity of the POES technique to different inputs used to infer the hiss wave amplitudes during three conjunction events with the Van Allen Probes. These amplitudes are calculated with different input models of the plasma density, wave frequency spectrum, and electron energy spectrum, and the results are compared to the wave observations from the twin Van Allen Probes. Only one parameter is varied at a time in order to isolate its effect on the output, while the two other inputs are set to the values observed by the Van Allen Probes. The results show that the predicted hiss amplitudes are most sensitive to the adopted frequency spectrum, followed by the plasma density, but they are not very sensitive to the electron energy spectrum. Moreover, the standard Gaussian representation of the wave frequency spectrum (centered at 550 Hz) peaks at frequencies that are much higher than those observed in individual cases as well as in statistical wave distributions, which produces large overestimates of the hiss wave amplitude. For this reason, a realistic statistical model of the wave frequency spectrum should be used in the POES technique to infer the plasmaspheric hiss wave intensity rather than a standard Gaussian distribution, since the former better reproduces the observed plasmaspheric hiss wave amplitudes. C1 [de Soria-Santacruz, M.] Univ Corp Atmospher Res, Boulder, CO 80305 USA. [de Soria-Santacruz, M.; Li, W.; Thorne, R. M.; Ma, Q.; Bortnik, J.] Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA USA. [Ni, B.] Wuhan Univ, Sch Elect Informat, Dept Space Phys, Wuhan 430072, Hubei, Peoples R China. [Kletzing, C. A.; Kurth, W. S.; Hospodarsky, G. B.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Spence, H. E.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. [Reeves, G. D.] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM USA. [Blake, J. B.; Fennell, J. F.] Aerosp Corp, Los Angeles, CA 90009 USA. RP de Soria-Santacruz, M (reprint author), Univ Corp Atmospher Res, Boulder, CO 80305 USA. EM mdesoria@atmos.ucla.edu RI Reeves, Geoffrey/E-8101-2011; OI Reeves, Geoffrey/0000-0002-7985-8098; Kletzing, Craig/0000-0002-4136-3348; Ma, Qianli/0000-0001-5452-4756; Kurth, William/0000-0002-5471-6202; Hospodarsky, George/0000-0001-9200-9878 FU University Corporation for Atmospheric Research (UCAR); JHU/APL under NASA [967399, 921647, NAS5-01072]; EMFISIS [1001057397:01]; ECT [13-041]; NASA [NNX11AD75G, NNX11AR64G, NNX12AD12G, NNX13AI61G, NNX15AF61G, NNX14AI18G]; NSF GEM [AGS-1405054]; NSFC [41204120, 41474141]; Fundamental Research Funds for the Central Universities [2042014kf0251] FX M. de Soria-Santacruz acknowledges fellowship support (Jack Eddy Postdoctoral Fellowship) from University Corporation for Atmospheric Research (UCAR). Work at UCLA was supported by JHU/APL contracts 967399 and 921647 under NASA's prime contract NAS5-01072. The analysis at UCLA was supported by the EMFISIS subaward 1001057397:01; ECT subaward 13-041; NASA grants NNX11AD75G, NNX11AR64G, NNX12AD12G, NNX13AI61G, NNX15AF61G, and NNX14AI18G; and NSF GEM grant of AGS-1405054. B. Ni thanks the support from the NSFC grants 41204120 and 41474141 and from the Fundamental Research Funds for the Central Universities grant 2042014kf0251. Work at the University of Iowa was performed under support on JHU/APL contract 921647 under NASA prime contract NAS5-01072. We acknowledge the Van Allen Probes data from the EMFISIS instrument obtained from https://emfisis.physics.uiowa.edu/data/index and from the MagEIS instrument obtained from http://www.rbsp-ect.lanl.gov/data\_pub/. We also would like to thank the NOAA POES team especially Janet Green for providing the NOAA POES data (obtained from http://satdat.ngdc.noaa.gov/sem/poes/data/) and helpful advice on the use of the data. NR 42 TC 2 Z9 2 U1 0 U2 0 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 MAY PY 2015 VL 120 IS 5 BP 3552 EP 3563 DI 10.1002/2014JA020941 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CM7KA UT WOS:000357869600021 ER PT J AU Drozdov, AY Shprits, YY Orlova, KG Kellerman, AC Subbotin, DA Baker, DN Spence, HE Reeves, GD AF Drozdov, A. Y. Shprits, Y. Y. Orlova, K. G. Kellerman, A. C. Subbotin, D. A. Baker, D. N. Spence, H. E. Reeves, G. D. TI Energetic, relativistic, and ultrarelativistic electrons: Comparison of long-term VERB code simulations with Van Allen Probes measurements SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID OUTER RADIATION BELT; PITCH-ANGLE SCATTERING; MAGNETIC STORM; GEOMAGNETIC STORMS; LOCAL ACCELERATION; SEED POPULATION; DIFFUSION; MODEL; WAVES; FIELD AB In this study, we compare long-term simulations performed by the Versatile Electron Radiation Belt (VERB) code with observations from the Magnetic Electron Ion Spectrometer and Relativistic Electron-Proton Telescope instruments on the Van Allen Probes satellites. The model takes into account radial, energy, pitch angle and mixed diffusion, losses into the atmosphere, and magnetopause shadowing. We consider the energetic (> 100 keV), relativistic (similar to 0.5-1MeV), and ultrarelativistic (> 2MeV) electrons. One year of relativistic electron measurements (mu = 700 MeV/G) from 1 October 2012 to 1 October 2013 are well reproduced by the simulation during varying levels of geomagnetic activity. However, for ultrarelativistic energies (mu = 3500 MeV/G), the VERB code simulation overestimates electron fluxes and phase space density. These results indicate that an additional loss mechanism is operational and efficient for these high energies. The most likely mechanism for explaining the observed loss at ultrarelativistic energies is scattering by the electromagnetic ion cyclotron waves. C1 [Drozdov, A. Y.; Shprits, Y. Y.; Orlova, K. G.; Kellerman, A. C.; Subbotin, D. A.] Univ Calif Los Angeles, Dept Earth Planetary & Space Sci, Los Angeles, CA 90095 USA. [Shprits, Y. Y.] MIT, Cambridge, MA 02139 USA. [Baker, D. N.] Univ Colorado, Lab Atmospher & Space Phys, Boulder, CO 80309 USA. [Spence, H. E.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. [Reeves, G. D.] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM USA. RP Drozdov, AY (reprint author), Univ Calif Los Angeles, Dept Earth Planetary & Space Sci, Los Angeles, CA 90095 USA. EM adrozdov@ucla.edu RI Kellerman, Adam/B-6525-2013; Reeves, Geoffrey/E-8101-2011 OI Drozdov, Alexander/0000-0002-5334-2026; Kellerman, Adam/0000-0002-2315-936X; Reeves, Geoffrey/0000-0002-7985-8098 FU NASA Living with a Star Jack Eddy Postdoctoral Fellowship Program; NSF [AGS-1203747]; NASA [NNX13AE34G]; UC Office of the President, UC Lab Fees Research Program [12-LR-235337] FX The authors used geomagnetic indices provided by OMNIWeb (http://omniweb.gsfc.nasa.gov/form/dx1.html) and are grateful to the RBSP-ECT team for the provision of Van Allen Probes observations (http://www.rbsp-ect.lanl.gov/). We acknowledge S.G. Claudepierre and J.B. Blake for their helpful discussion. The diffusion coefficients used in the VERB code are available on the Space Environment Modeling Group website (ftp://rbm.epss.ucla.edu/). In addition, authors are appreciative of the valuable comments of the reviewers, whose contribution deserves special acknowledgment. The research of K. Orlova was supported by the NASA Living with a Star Jack Eddy Postdoctoral Fellowship Program, administered by the University Corporation for Atmospheric Research. This research was supported by the NSF grant AGS-1203747, NASA grant NNX13AE34G, and received funding support from the UC Office of the President, UC Lab Fees Research Program grant 12-LR-235337. NR 64 TC 11 Z9 11 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 MAY PY 2015 VL 120 IS 5 BP 3574 EP 3587 DI 10.1002/2014JA020637 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CM7KA UT WOS:000357869600023 ER PT J AU Delzanno, GL Borovsky, JE Thomsen, MF Moulton, JD AF Delzanno, G. L. Borovsky, J. E. Thomsen, M. F. Moulton, J. D. TI Future beam experiments in the magnetosphere with plasma contactors: The electron collection and ion emission routes SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID SPACECRAFT POTENTIAL CONTROL; ARTIFICIAL AURORAL STREAKS; ACTIVE SPACECRAFT; SOUNDING ROCKET; SATELLITE; ORBIT AB Experiments where a high-voltage electron beam emitted by a spacecraft in the low-density magnetosphere is used to probe the magnetospheric configuration could greatly enhance our understanding of the near-Earth environment. Their challenge, however, resides in the fact that the background magnetospheric plasma cannot provide a return current that balances the electron beam current without charging the spacecraft to such high potential that in practice prevents beam emission. In order to overcome this problem, a possible solution is based on the emission of a high-density contactor plasma by the spacecraft prior to and after the beam. We perform particle-in-cell simulations to investigate the conditions under which a high-voltage electron beam can be emitted from a magnetospheric spacecraft, comparing two possible routes that rely on the high-density contactor plasma. The first is an "electron collection" route, where the contactor has lower current than the electron beam and is used with the goal of connecting to the background plasma and collecting magnetospheric electrons over a much larger area than that allowed by the spacecraft alone. The second is an "ion emission" route, where the contactor has higher current than the electron beam. Ion emission is then enabled over the large quasi-spherical area of the contactor cloud, thus overcoming the space charge limits typical of ion beam emission. Our results indicate that the ion emission route offers a pathway for performing beam experiments in the low-density magnetosphere, while the electron collection route is not viable because the contactor fails to draw a large neutralizing current from the background. C1 [Delzanno, G. L.; Moulton, J. D.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Borovsky, J. E.] Space Sci Inst, Boulder, CO USA. [Borovsky, J. E.] Univ Michigan, AOSS, Ann Arbor, MI 48109 USA. [Thomsen, M. F.] Los Alamos Natl Lab, Intelligence & Space Res Div, Los Alamos, NM USA. RP Delzanno, GL (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM delzanno@lanl.gov FU Laboratory Directed Research and Development program (LDRD), under National Nuclear Security Administration of the U.S. Department of Energy by Los Alamos National Laboratory [DE-AC52-06NA25396]; NASA magnetospheric GI program; NASA Geospace SRT program; NASA LWS TRT program FX The data used for this paper were obtained from numerical calculations and are available from the corresponding author upon request. The authors wish to thank Patrick Colestock and Eric Dors for useful discussions. This work was funded by the Laboratory Directed Research and Development program (LDRD), under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy by Los Alamos National Laboratory, operated by Los Alamos National Security LLC under contract DE-AC52-06NA25396. This research used resources provided by the Los Alamos National Laboratory Institutional Computing Program. J.E.B. was funded by the NASA magnetospheric GI program, the NASA Geospace SRT program, and by the NASA LWS TRT program. NR 36 TC 2 Z9 2 U1 2 U2 8 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 MAY PY 2015 VL 120 IS 5 BP 3588 EP 3602 DI 10.1002/2014JA020683 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CM7KA UT WOS:000357869600024 ER PT J AU Delzanno, GL Borovsky, JE Thomsen, MF Moulton, JD MacDonald, EA AF Delzanno, G. L. Borovsky, J. E. Thomsen, M. F. Moulton, J. D. MacDonald, E. A. TI Future beam experiments in the magnetosphere with plasma contactors: How do we get the charge off the spacecraft? SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID ARTIFICIAL AURORAL STREAKS; ELECTRON-BEAM; POTENTIAL CONTROL; ACTIVE SPACECRAFT; SOUNDING ROCKET; CODE; EMISSIONS; ORBIT AB The idea of using a high-voltage electron beam with substantial current to actively probe magnetic field line connectivity in space has been discussed since the 1970s. However, its experimental realization onboard a magnetospheric spacecraft has never been accomplished because the tenuous magnetospheric plasma cannot provide the return current necessary to keep spacecraft charging under control. In this work, we perform Particle-In-Cell simulations to investigate the conditions under which a high-voltage electron beam can be emitted from a spacecraft and explore solutions that can mitigate spacecraft charging. The electron beam cannot simply be compensated for by an ion beam of equal current, because the Child-Langmuir space charge limit is violated under conditions of interest. On the other hand, releasing a high-density neutral contactor plasma prior and during beam emission is critical in aiding beam emission. We show that after an initial transient controlled by the size of the contactor cloud where the spacecraft potential rises, the spacecraft potential can settle into conditions that allow for electron beam emission. A physical explanation of this result in terms of ion emission into spherical geometry from the surface of the plasma cloud is presented, together with scaling laws of the peak spacecraft potential varying the ion mass and beam current. These results suggest that a strategy where the contactor plasma and the electron beam operate simultaneously might offer a pathway to perform beam experiments in the magnetosphere. C1 [Delzanno, G. L.; Moulton, J. D.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Borovsky, J. E.] Space Sci Inst, Boulder, CO USA. [Borovsky, J. E.] Univ Michigan, AOSS, Ann Arbor, MI 48109 USA. [Thomsen, M. F.] Los Alamos Natl Lab, Intelligence & Space Res Div, Los Alamos, NM USA. [MacDonald, E. A.] Nasa Goddard, Greenbelt, MD USA. RP Delzanno, GL (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM delzanno@lanl.gov FU Laboratory Directed Research and Development program (LDRD), U.S. Department of Energy Office of Science, Office of Fusion Energy Sciences, under National Nuclear Security Administration of the U.S. Department of Energy by Los Alamos National Laboratory [DE-AC52-06NA25396]; NASA magnetospheric GI program; NASA Geospace SRT program; NASA LWS TRT program FX The data used for this paper were obtained from numerical calculations and are available from the corresponding author upon request. The authors wish to thank Patrick Colestock and Eric Dors for useful discussions and Ira Katz and Myron Mandell for providing useful references on the SCATHA experiments. This work was funded by the Laboratory Directed Research and Development program (LDRD), U.S. Department of Energy Office of Science, Office of Fusion Energy Sciences, under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy by Los Alamos National Laboratory, operated by Los Alamos National Security LLC under contract DE-AC52-06NA25396. This research used resources provided by the Los Alamos National Laboratory Institutional Computing Program. J. E. B. was funded by the NASA magnetospheric GI program, the NASA Geospace SRT program, and by the NASA LWS TRT program. NR 46 TC 2 Z9 2 U1 4 U2 9 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 MAY PY 2015 VL 120 IS 5 BP 3647 EP 3664 DI 10.1002/2014JA020608 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CM7KA UT WOS:000357869600028 ER PT J AU Palin, L Jacquey, C Opgenoorth, H Connors, M Sergeev, V Sauvaud, JA Nakamura, R Reeves, GD Singer, HJ Angelopoulos, V Turc, L AF Palin, L. Jacquey, C. Opgenoorth, H. Connors, M. Sergeev, V. Sauvaud, J-A. Nakamura, R. Reeves, G. D. Singer, H. J. Angelopoulos, V. Turc, L. TI Three-dimensional current systems and ionospheric effects associated with small dipolarization fronts SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID SUBSTORM CURRENT WEDGE; RAPID FLUX TRANSPORT; CENTRAL PLASMA SHEET; MAGNETIC MIDNIGHT; AURORAL SUBSTORM; EXPANSION ONSET; POLAR SUBSTORMS; FLOW; FIELD; MAGNETOTAIL AB We present a case study of eight successive plasma sheet (PS) activations (usually referred to as bursty bulk flows or dipolarization fronts), associated with small individual B-ZGSM increases on 31 March 2009 (0200-0900 UT), observed by the Time History of Events and Macroscale Interactions During Substorms mission. This series of events happens during very quiet solar wind conditions, over a period of 7 h preceding a substorm onset at 1230 UT. The amplitude of the dipolarizations increases with time. The low-amplitude dipolarization fronts are associated with few (1 or 2) rapid flux transport events (RFT, E-h > 2 mV/m), whereas the large-amplitude ones encompass many more RFT events. All PS activations are associated with small and localized substorm current wedge (SCW)-like current system signatures, which seems to be the consequence of RFT arrival in the near tail. The associated ground magnetic perturbations affect a larger part of the contracted auroral oval when, in the magnetotail, more RFT are embedded in PS activations (> 5). Dipolarization fronts with very low amplitude, a type usually not included in statistical studies, are of particular interest because we found even those to be associated with clear small SCW-like current system and particle injections at geosynchronous orbit. This exceptional data set highlights the role of flow bursts in the magnetotail and leads to the conclusion that we may be observing the smallest form of a substorm or rather its smallest element. This study also highlights the gradual evolution of the ionospheric current disturbance as the plasma sheet is observed to heat up. C1 [Palin, L.; Opgenoorth, H.] Swedish Inst Space Phys, Uppsala, Sweden. [Jacquey, C.; Sauvaud, J-A.] Univ Toulouse, CNRS, IRAP, Toulouse, France. [Connors, M.] Athabasca Univ, Dept Phys, Edmonton, AB, Canada. [Sergeev, V.] St Petersburg State Univ, Dept Earths Phys, St Petersburg 199034, Russia. [Nakamura, R.] Austrian Acad Sci, Space Res Inst, A-8010 Graz, Austria. [Reeves, G. D.] Los Alamos Natl Lab, Los Alamos, NM USA. [Singer, H. J.] NOAA, Space Weather Predict Ctr, Boulder, CO USA. [Angelopoulos, V.] Univ Calif Los Angeles, Dept Earth Planetary & Space Sci, IGPP, Los Angeles, CA USA. [Turc, L.] European Space Res & Technol Ctr ESA, Directorate Sci & Robot Explorat, Sci Support Off, Noordwijk, Netherlands. RP Palin, L (reprint author), Swedish Inst Space Phys, Uppsala, Sweden. EM lpalin@irfu.se RI Nakamura, Rumi/I-7712-2013; Sergeev, Victor/H-1173-2013; OI Nakamura, Rumi/0000-0002-2620-9211; Sergeev, Victor/0000-0002-4569-9631; Turc, Lucile/0000-0002-7576-3251; Reeves, Geoffrey/0000-0002-7985-8098 FU NASA [NAS5-02099]; ESA; SNSB FX We acknowledge NASA contract NAS5-02099 for data from the THEMIS mission and specifically DLR support at TU-BS under 50OC0302 for use of FGM data. We acknowledge the Goddard Space Flight Center for providing the useful tool: SSC 4-D Orbit Viewer (http://sscweb.gsfc.nasa.gov/tipsod/). We acknowledge the Data Analysis Center for Geomagnetism and Space Magnetism (http://wdc.kugi.kyoto-u.ac.jp/aedir/) and SuperMag (http://supermag.jhuapl.edu/substorms/) for the indices and magnetic data. For the ground magnetometer data, we gratefully acknowledge: Intermagnet; USGS, Jeffrey J. Love; CARISMA, PI Ian Mann; CANMOS; The MACCS program, PI M. Engebretson, Geomagnetism Unit of the Geological Survey of Canada; AUTUMN, PI Martin Connors; DTU Space, PI Dr. Jrgen Matzka; and the University of Alaska. We thank O. Le Contel for fruitful discussions. L.T. is supported by an ESA Research Fellowship in Space Science. L.P. and H.O. thank SNSB for funding, and L.P. and C.J. thank CNES. NR 60 TC 2 Z9 2 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 MAY PY 2015 VL 120 IS 5 BP 3739 EP 3757 DI 10.1002/2015JA021040 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CM7KA UT WOS:000357869600034 ER PT J AU Johnson, JR Wing, S AF Johnson, Jay R. Wing, Simon TI The dependence of the strength and thickness of field-aligned currents on solar wind and ionospheric parameters SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID LATITUDE BOUNDARY-LAYER; PARALLEL ELECTRIC-FIELDS; DISCRETE AURORAL ARCS; LOW MAGNETIC SHEAR; DAYSIDE MAGNETOPAUSE; LOW-ALTITUDE; PLASMA; PRECIPITATION; MAGNETOSHEATH; IDENTIFICATION AB Sheared plasma flows at the low-latitude boundary layer (LLBL) correlate well with early afternoon auroral arcs and upward field-aligned currents. We present a simple analytic model that relates solar wind and ionospheric parameters to the strength and thickness of field-aligned currents (Lambda) in a region of sheared velocity, such as the LLBL. We compare the predictions of the model with DMSP observations and find remarkably good scaling of the upward region 1 currents with solar wind and ionospheric parameters in region located at the boundary layer or open field lines at 1100-1700 magnetic local time. We demonstrate that Lambda similar to n(sw)(-0.5) and Lambda similar to L when Lambda/L < 5 where L is the auroral electrostatic scale length. The sheared boundary layer thickness (Delta(m)) is inferred to be around 3000 km, which appears to have weak dependence on V-sw. J(parallel to) has dependencies on Delta(m), Sigma(p), n(sw), and V-sw. The analytic model provides a simple way to organize data and to infer boundary layer structures from ionospheric data. C1 [Johnson, Jay R.] Princeton Univ, Plasma Phys Lab, Princeton Ctr Heliophys, Princeton, NJ 08544 USA. [Wing, Simon] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD USA. RP Johnson, JR (reprint author), Princeton Univ, Plasma Phys Lab, Princeton Ctr Heliophys, POB 451, Princeton, NJ 08544 USA. EM jrj@pppl.gov FU NSF [AGS-1058456, ATM-0802715, ATM0902730, AGS-1203299]; NASA [NNX13XAE12G, NNX15AJ01G, NNH09AM53I, NNH09AK63I, NNH11AR07I, NNX14AM27G, NNH14AY20I]; DOE [DE-AC02-09CH11466]; U.S. Department of Energy [DE-AC02-09CH11466] FX The Air Force Research Laboratory has been helpful in the acquisition of DMSP SSJ4/SSJ5 and magnetometer data, as has the World Data Center in Boulder, Colorado. The raw solar wind data from ACE, Wind, IMP8, ISEE1, and ISEE3 were obtained from NASA CDAWeb (http://cdaweb.gsfc.nasa.gov/) and NSSDC (http://nssdc.gsfc.nasa.gov/). All the derived data products in this paper are available upon request by email (simon.wing@jhuapl.edu). Simon Wing acknowledges support from NSF grants AGS-1058456 and ATM-0802715, and NASA grants NNX13XAE12G and NNX15AJ01G. Jay R. Johnson acknowledges support from NASA grants (NNH09AM53I, NNH09AK63I, NNH11AR07I, NNX14AM27G, and NNH14AY20I), NSF grant ATM0902730, AGS-1203299, and DOE contract DE-AC02-09CH11466. We thank Fred Rich, Gordon Wilson, and the Air Force Research Laboratory for the DMSP SSJ4/5 and magnetometer data. We thank James M. Weygand for the solar wind data processing. This work was facilitated by the Max Planck/Princeton Center for Plasma Physics and ISSI team on "Field-Aligned Currents: Their Morphology, Evolution, Source Regions and Generators." DOE Copyright Terms: Notice: This manuscript has been authored by Princeton University under contract DE-AC02-09CH11466 with the U.S. Department of Energy. The publisher, by accepting the article for publication acknowledges, that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 45 TC 2 Z9 2 U1 2 U2 8 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 MAY PY 2015 VL 120 IS 5 BP 3987 EP 4008 DI 10.1002/2014JA020312 PG 22 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CM7KA UT WOS:000357869600054 ER PT J AU Beamer, B Nomerotski, A Tsybychev, D AF Beamer, B. Nomerotski, A. Tsybychev, D. TI A study of astrometric distortions due to "tree rings" in CCD sensors using LSST Photon Simulator 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 Systematic effects; Detectors for UV, visible and IR photons AB Imperfections in the production process of thick CCDs lead to circularly symmetric dopant concentration variations, which in turn produce electric fields transverse to the surface of the fully depleted CCD that displace the photogenerated charges. We use PhoSim, a Monte Carlo photon simulator, to explore and examine the likely impacts these dopant concentration variations will have on astrometric measurements in LSST. The scale and behavior of both the astrometric shifts imparted to point sources and the intensity variations in flat field images that result from these doping imperfections are similar to those previously observed in Dark Energy Camera CCDs, giving initial confirmation of PhoSim's model for these effects. Additionally, organized shape distortions were observed as a result of the symmetric nature of these dopant variations, causing nominally round sources to be imparted with a measurable ellipticity either aligned with or transverse to the radial direction of this dopant variation pattern. C1 [Beamer, B.; Tsybychev, D.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Nomerotski, A.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Beamer, B (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. EM benjamin.beamer@stonybrook.edu RI Nomerotski, Andrei/A-5169-2010 FU Stony Brook University - BNL [37298-2-1103910] FX We would like to thank J. Peterson and E.-H. Peng for their help with PhoSim; M. Fisher-Levine, E. Sheldon, and T. Throwe for assistance with code and computing; and A. Plazas, P. O'Connor, and A. Rasmussen for useful comments and discussions. This work was supported by the Stony Brook University - BNL seed grant 37298-2-1103910. NR 7 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 MAY PY 2015 VL 10 AR C05027 DI 10.1088/1748-0221/10/05/C05027 PG 11 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8ZI UT WOS:000357993300027 ER PT J AU Bebek, CJ Emes, JH Groom, DE Haque, S Holland, SE Karcher, A Kolbe, WF Lee, JS Palaio, NP Wang, G AF Bebek, C. J. Emes, J. H. Groom, D. E. Haque, S. Holland, S. E. Karcher, A. Kolbe, W. F. Lee, J. S. Palaio, N. P. Wang, G. TI CCD development for the Dark Energy Spectroscopic Instrument 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 Detectors for UV, visible and IR photons; Detector design and construction technologies and materials AB We describe research and development efforts directed towards the production of 4 k x 4 k, 15 mu m-pixel, fully depleted CCDs for the Dark Energy Spectroscopic Instrument (DESI). The requirements for DESI include the spectroscopic characterization of large numbers of faint galaxies at high redshift. The identification of the type and the determination of the redshift of the targeted galaxies require the use of thick, fully depleted CCDs with high quantum efficiency at near-infrared wavelengths. We describe our work to improve the CCD performance in terms of quantum efficiency and read noise. We also discuss efforts to reduce the level of image-distortion effects that have been observed on previous CCDs that are due to resistivity striations in the starting silicon and periodic errors in the photomasks used to produce the CCDs. C1 [Bebek, C. J.; Emes, J. H.; Groom, D. E.; Haque, S.; Holland, S. E.; Karcher, A.; Kolbe, W. F.; Lee, J. S.; Palaio, N. P.; Wang, G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Holland, SE (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM seholland@lbl.gov FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The U.S. Government retains, and the publisher, by accepting the article for publication, acknowledges, that the U.S. Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U.S. Government purposes. NR 17 TC 1 Z9 1 U1 1 U2 3 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 MAY PY 2015 VL 10 AR C05026 DI 10.1088/1748-0221/10/05/C05026 PG 11 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8ZI UT WOS:000357993300026 ER PT J AU Benesch, J Philip, S AF Benesch, J. Philip, S. TI Solid core dipoles and switching power supplies: lower cost light sources? SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Accelerator Subsystems and Technologies; Acceleration cavities and magnets superconducting (high-temperature superconductor; radiation hardened magnets; normal-conducting; permanent magnet devices; wigglers and undulators) AB As a result of improvements in power semiconductors, moderate frequency switching supplies can now provide the hundreds of amps typically required by accelerators with zero-to-peak noise in the kHz region similar to 0.06% in current or voltage mode. Modeling was undertaken using a finite electromagnetic program to determine if eddy currents induced in the solid steel of CEBAF magnets and small supplemental additions would bring the error fields down to the 5ppm level needed for beam quality. The expected maximum field of the magnet under consideration is 0.85 T and the DC current required to produce that field is used in the calculations. An additional 0.1% current ripple is added to the DC current at discrete frequencies 360 Hz, 720 Hz or 7200 Hz. Over the region of the pole within 0.5% of the central integrated BdL the resulting AC field changes can be reduced to less than 1% of the 0.1% input ripple for all frequencies, and a sixth of that at 7200 Hz. Doubling the current, providing 1.5 T central field, yielded the same fractional reduction in ripple at the beam for the cases checked. A small dipole was measured at 60, 120, 360 and 720 Hz in two conditions and the results compared to the larger model for the latter two frequencies with surprisingly good agreement. For light sources with aluminum vacuum vessels and full energy linac injection, the combination of solid core dipoles and switching power supplies may result in significant cost savings. The work may also be used to guide retrofit of existing machines to reduce the level of ripple in the particle beam path. C1 [Benesch, J.; Philip, S.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Benesch, J (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM benesch@jlab.org FU Jefferson Science Associates, LLC under U.S. DOE [DE-AC05-06OR23177] FX This work was improved by suggestions of G. Neil and A. Freyberger. We would like to thank M. Tiefenback for many stimulating discussions and helpful remarks, including finding references [1] and [2]. This work was supported by Jefferson Science Associates, LLC under U.S. DOE Contract No. DE-AC05-06OR23177. The U.S. Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce this manuscript for U.S. Government purposes. NR 3 TC 0 Z9 0 U1 1 U2 3 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 MAY PY 2015 VL 10 AR P05001 DI 10.1088/1748-0221/10/05/P05001 PG 11 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8ZI UT WOS:000357993300033 ER PT J AU Bilki, B Corriveau, F Freund, B Neubuser, C Onel, Y Repond, J Schlereth, J Xia, L AF Bilki, B. Corriveau, F. Freund, B. Neubueser, C. Onel, Y. Repond, J. Schlereth, J. Xia, L. TI Tests of a novel design of Resistive Plate Chambers SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Resistive-plate chambers; Gaseous imaging and tracking detectors; Particle tracking detectors (Gaseous detectors) AB A novel design of Resistive Plate Chambers (RPCs), using only a single resistive plate, is being proposed. Based on this design, two large size prototype chambers were constructed and were tested with cosmic rays and in particle beams. The tests confirmed the viability of this new approach. In addition to showing an improved single-particle response compared to the traditional 2-plate design, the novel chambers also prove to be suitable for calorimetric applications. C1 [Bilki, B.; Freund, B.; Neubueser, C.; Repond, J.; Schlereth, J.; Xia, L.] Argonne Natl Lab, Argonne, IL 60439 USA. [Neubueser, C.] DESY, D-22607 Hamburg, Germany. [Bilki, B.; Onel, Y.] Univ Iowa, Iowa City, IA 52242 USA. [Corriveau, F.; Freund, B.] McGill Univ, Montreal, PQ H3A 2T8, Canada. RP Repond, J (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM repond@anl.go OI Bilki, Burak/0000-0001-9515-3306 NR 4 TC 1 Z9 1 U1 0 U2 0 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 MAY PY 2015 VL 10 AR P05003 DI 10.1088/1748-0221/10/05/P05003 PG 7 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8ZI UT WOS:000357993300035 ER PT J AU Cebrian, S Perez, J Bandac, I Labarga, L Alvarez, V Barrado, AI Bettini, A Borges, FIGM Camargo, M Carcel, S Cervera, A Conde, CAN Conde, E Dafni, T Diaz, J Esteve, R Fernandes, LMP Fernandez, M Ferrario, P Ferreira, AL Freitas, EDC Gehman, VM Goldschmidt, A Gomez-Cadenas, JJ Gonzalez-Diaz, D Gutierrez, RM Hauptman, J Morata, JAH Herrera, DC Irastorza, IG Laing, A Liubarsky, I Lopez-March, N Lorca, D Losada, M Luzon, G Mari, A Martin-Albo, J Martinez, A Martinez-Lema, G Miller, T Monrabal, F Monserrate, M Monteiro, CMB Mora, FJ Moutinho, LM Vidal, JM Nebot-Guinot, M Nygren, D Oliveira, CAB de Solorzano, AO Aparicio, JLP Querol, M Renner, J Ripoll, L Rodriguez, J Santos, FP dos Santos, JMF Serra, L Shuman, D Simon, A Sofka, C Sorel, M Toledo, JF Torrent, J Tsamalaidze, Z Veloso, JFCA Villar, JA Webb, RC White, JT Yahlali, N AF Cebrian, S. Perez, J. Bandac, I. Labarga, L. Alvarez, V. Barrado, A. I. Bettini, A. Borges, F. I. G. M. Camargo, M. Carcel, S. Cervera, A. Conde, C. A. N. Conde, E. Dafni, T. Diaz, J. Esteve, R. Fernandes, L. M. P. Fernandez, M. Ferrario, P. Ferreira, A. L. Freitas, E. D. C. Gehman, V. M. Goldschmidt, A. Gomez-Cadenas, J. J. Gonzalez-Diaz, D. Gutierrez, R. M. Hauptman, J. Hernando Morata, J. A. Herrera, D. C. Irastorza, I. G. Laing, A. Liubarsky, I. Lopez-March, N. Lorca, D. Losada, M. Luzon, G. Mari, A. Martin-Albo, J. Martinez, A. Martinez-Lema, G. Miller, T. Monrabal, F. Monserrate, M. Monteiro, C. M. B. Mora, F. J. Moutinho, L. M. Munoz Vidal, J. Nebot-Guinot, M. Nygren, D. Oliveira, C. A. B. Ortiz de Solorzano, A. Perez Aparicio, J. L. Querol, M. Renner, J. Ripoll, L. Rodriguez, J. Santos, F. P. dos Santos, J. M. F. Serra, L. Shuman, D. Simon, A. Sofka, C. Sorel, M. Toledo, J. F. Torrent, J. Tsamalaidze, Z. Veloso, J. F. C. A. Villar, J. A. Webb, R. C. White, J. T. Yahlali, N. TI Radiopurity assessment of the tracking readout for the NEXT double beta decay experiment SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Radiation calculations; Time projection Chambers (TPC); Double-beta decay detectors; Particle tracking detectors (Gaseous detectors) ID RADIOACTIVITY; SPECTROMETRY AB The "Neutrino Experiment with a Xenon Time-Projection Chamber" (NEXT) is intended to investigate the neutrinoless double beta decay of Xe-136, which requires a severe suppression of potential backgrounds; therefore, an extensive screening and selection process is underway to control the radiopurity levels of the materials to be used in the experimental set-up of NEXT. The detector design combines the measurement of the topological signature of the event for background discrimination with the energy resolution optimization. Separate energy and tracking readout planes are based on different sensors: photomultiplier tubes for calorimetry and silicon multi-pixel photon counters for tracking. The design of a radiopure tracking plane, in direct contact with the gas detector medium, was specially challenging since the needed components like printed circuit boards, connectors, sensors or capacitors have typically, according to available information in databases and in the literature, activities too large for experiments requiring ultra-low background conditions. Here, the radiopurity assessment of tracking readout components based on gamma-ray spectroscopy using ultra-low background germanium detectors at the Laboratorio Subterraneo de Canfranc (Spain) is described. According to the obtained results, radiopure enough printed circuit boards made of kapton and copper, silicon photomultipliers and other required components, fulfilling the requirement of an overall background level in the region of interest of at most 8 x 10(-4) counts keV(-1) kg(-1) y(-1), have been identified. C1 [Cebrian, S.; Dafni, T.; Gonzalez-Diaz, D.; Herrera, D. C.; Irastorza, I. G.; Luzon, G.; Ortiz de Solorzano, A.; Villar, J. A.] Univ Zaragoza, Lab Fis Nucl & Astroparticulas, E-50009 Zaragoza, Spain. [Cebrian, S.; Bandac, I.; Bettini, A.; Dafni, T.; Gonzalez-Diaz, D.; Herrera, D. C.; Irastorza, I. G.; Luzon, G.; Ortiz de Solorzano, A.; Villar, J. A.] Lab Subterraneo Canfranc, Canfranc Estacion 22880, Huesca, Spain. [Perez, J.] UAM, CSIC, IFT, Madrid 28049, Spain. [Labarga, L.] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain. [Alvarez, V.; Carcel, S.; Cervera, A.; Diaz, J.; Ferrario, P.; Gomez-Cadenas, J. J.; Laing, A.; Liubarsky, I.; Lopez-March, N.; Lorca, D.; Martin-Albo, J.; Martinez, A.; Monrabal, F.; Monserrate, M.; Munoz Vidal, J.; Nebot-Guinot, M.; Querol, M.; Rodriguez, J.; Serra, L.; Simon, A.; Sorel, M.; Yahlali, N.] CSIC, Inst Fis Corpuscular IFIC, Valencia 46980, Spain. [Alvarez, V.; Carcel, S.; Cervera, A.; Diaz, J.; Ferrario, P.; Gomez-Cadenas, J. J.; Laing, A.; Liubarsky, I.; Lopez-March, N.; Lorca, D.; Martin-Albo, J.; Martinez, A.; Monrabal, F.; Monserrate, M.; Munoz Vidal, J.; Nebot-Guinot, M.; Querol, M.; Rodriguez, J.; Serra, L.; Simon, A.; Sorel, M.; Yahlali, N.] Univ Valencia, Valencia 46980, Spain. [Barrado, A. I.; Conde, E.; Fernandez, M.] Ctr Invest Energet Medioambientales & Tecnol CIEM, Madrid 28040, Spain. [Bettini, A.] Univ Padua, I-35131 Padua, Italy. [Bettini, A.] INFN Sect, Dipartimento Fisca G Galilei, I-35131 Padua, Italy. [Borges, F. I. G. M.; Conde, C. A. N.; Fernandes, L. M. P.; Freitas, E. D. C.; Monteiro, C. M. B.; Santos, F. P.; dos Santos, J. M. F.] Univ Coimbra, Dept Fis, P-3004516 Coimbra, Portugal. [Camargo, M.; Gutierrez, R. M.; Losada, M.] Univ Antonio Narino, Ctr Invest Ciencias Basicas & Aplicadas, Bogota, Colombia. [Esteve, R.; Mari, A.; Mora, F. J.; Toledo, J. F.] Univ Politecn Valencia, Inst Instrumentac Imagen Mol I3M, Valencia 46022, Spain. [Ferreira, A. L.; Moutinho, L. M.; Veloso, J. F. C. A.] Univ Aveiro, Inst Nanostruct Nanomodelling & Nanofabricat i3N, P-3810193 Aveiro, Portugal. [Gehman, V. M.; Goldschmidt, A.; Miller, T.; Nygren, D.; Oliveira, C. A. B.; Renner, J.; Shuman, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Hauptman, J.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Hernando Morata, J. A.; Martinez-Lema, G.] Univ Santiago Compostela, IGFAE, Santiago De Compostela 15782, Spain. [Perez Aparicio, J. L.] Univ Politecn Valencia, Dept Mecan Medios Continuos & Teoria Estruct, E-46071 Valencia, Spain. [Ripoll, L.; Torrent, J.] Univ Girona, Escola Politecn Super, Girona 17071, Spain. [Sofka, C.; Webb, R. C.; White, J. T.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. [Tsamalaidze, Z.] Joint Inst Nucl Res, Dubna 141980, Russia. RP Cebrian, S (reprint author), Univ Zaragoza, Lab Fis Nucl & Astroparticulas, Calle Pedro Cerbuna 12, E-50009 Zaragoza, Spain. EM scebrian@unizar.es RI Dafni, Theopisti/J-9646-2012; Perez Aparicio, Jose Luis/H-7053-2015; Monrabal, Francesc/A-5880-2015; Irastorza, Igor/B-2085-2012; Diaz, Jose/B-3454-2012; AMADE Research Group, AMADE/B-6537-2014; Gonzalez Diaz, Diego/K-7265-2014; Fernandes, Luis/E-2372-2011; Villar, Jose Angel/K-6630-2014; veloso, joao/J-4478-2013; Moutinho, Luis/J-6021-2013; Lopez March, Neus/P-4411-2014; OI Dafni, Theopisti/0000-0002-8921-910X; Perez Aparicio, Jose Luis/0000-0003-2884-6991; Freitas, Elisabete/0000-0001-8235-3229; Monrabal, Francesc/0000-0002-4047-5620; Munoz Vidal, Javier/0000-0002-9649-2251; Toledo Alarcon, Jose Francisco/0000-0002-9782-4510; Santos, Filomena/0000-0002-0214-4185; Martin-Albo, Justo/0000-0002-7318-1469; Monteiro, Cristina Maria Bernardes/0000-0002-1912-2804; dos Santos, Joaquim Marques Ferreira/0000-0002-8841-6523; Irastorza, Igor/0000-0003-1163-1687; Diaz, Jose/0000-0002-7239-223X; AMADE Research Group, AMADE/0000-0002-5778-3291; Gonzalez Diaz, Diego/0000-0002-6809-5996; Fernandes, Luis/0000-0002-7061-8768; Villar, Jose Angel/0000-0003-0228-7589; Moutinho, Luis/0000-0001-9074-4449; Lopez March, Neus/0000-0001-6586-0675; Veloso, Joao/0000-0002-7107-7203 FU European Research Council [339787-NEXT]; IDEAS program of the EU [ERC-2009-StG-240054]; Spanish Ministerio de Economia y Competitividad [CSD2008-0037, FPA2009-13697-C04-04, FIS2012-37947-C04]; Office of Science, Office of Basic Energy Sciences of the US DoE [DE-AC02-05CH11231]; Portuguese FCT; FEDER through program COMPETE [PTDC/FIS/103860/2008, PTDC/FIS/112272/2009] FX We deeply acknowledge John Murphy and Carl Jackson from SensL Technologies Ltd for their efficient collaboration in the analysis of SiPMs. We very much thank also Vicenzo Mancini from SOMACIS company for the care in the development of radiopure kapton PCBs. Special thanks are due to LSC directorate and staff for their strong support for performing the measurements at the LSC Radiopurity Service. The NEXT Collaboration acknowledges funding support from the following agencies and institutions: the European Research Council under the Advanced Grant 339787-NEXT and the T-REX Starting Grant ref. ERC-2009-StG-240054 of the IDEAS program of the 7th EU Framework Program; the Spanish Ministerio de Economia y Competitividad under grants CONSOLIDER-Ingenio 2010 CSD2008-0037 (CUP), FPA2009-13697-C04-04, and FIS2012-37947-C04; the Director, Office of Science, Office of Basic Energy Sciences of the US DoE under Contract no. DE-AC02-05CH11231; and the Portuguese FCT and FEDER through the program COMPETE, Projects PTDC/FIS/103860/2008 and PTDC/FIS/112272/2009. NR 33 TC 7 Z9 7 U1 6 U2 16 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 MAY PY 2015 VL 10 AR P05006 DI 10.1088/1748-0221/10/05/P05006 PG 16 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8ZI UT WOS:000357993300038 ER PT J AU Gruen, D Bernstein, GM Jarvis, M Rowe, B Vikram, V Plazas, AA Seitz, S AF Gruen, D. Bernstein, G. M. Jarvis, M. Rowe, B. Vikram, V. Plazas, A. A. Seitz, S. TI Characterization and correction of charge-induced pixel shifts in DECam SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Photon detectors for UV, visible and IR photons (solid-state) (PIN diodes, APDs, Si-PMTs, G-APDs, CCDs, EBCCDs, EMCCDs etc); Image processing ID COUPLED-DEVICES; DARK; SEXTRACTOR; FIELD AB Interaction of charges in CCDs with the already accumulated charge distribution causes both a flux dependence of the point-spread function (an increase of observed size with flux, also known as the brighter/fatter effect) and pixel-to-pixel correlations of the Poissonian noise in flat fields. We describe these effects in the Dark Energy Camera (DECam) with charge dependent shifts of effective pixel borders, i.e. the Antilogus et al. (2014) model, which we fit to measurements of flat-field Poissonian noise correlations. The latter fall off approximately as a power-law r(-2.5) with pixel separation r, are isotropic except for an asymmetry in the direct neighbors along rows and columns, are stable in time, and are weakly dependent on wavelength. They show variations from chip to chip at the 20% level that correlate with the silicon resistivity. The charge shifts predicted by the model cause biased shape measurements, primarily due to their effect on bright stars, at levels exceeding weak lensing science requirements. We measure the flux dependence of star images and show that the effect can be mitigated by applying the reverse charge shifts at the pixel level during image processing. Differences in stellar size, however, remain significant due to residuals at larger distance from the centroid. C1 [Gruen, D.; Seitz, S.] Univ Observ Munich, D-81679 Munich, Germany. [Gruen, D.; Seitz, S.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Bernstein, G. M.; Jarvis, M.; Vikram, V.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Rowe, B.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Vikram, V.] Argonne Natl Lab, Lemont, IL 60439 USA. [Plazas, A. A.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Plazas, A. A.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. RP Gruen, D (reprint author), Univ Observ Munich, Scheinerstr 1, D-81679 Munich, Germany. EM dgruen@usm.uni-muenchen.de OI Rowe, Barnaby/0000-0002-7042-9174 FU Deutsche Forschungsgemeinschaft (DFG) [SFB-Transregio 33]; DFG cluster of excellence 'Origin and Structure of the Universe' [DE-SC007901]; NSF [AST-1311924]; DOE [DE-AC02-98CH10886]; JPL; NASA by Caltech; U.S. Department of Energy; U.S. National Science Foundation; Ministry of Science and Education of Spain; Science and Technology Facilities Council of the United Kingdom; Higher Education Funding Council for England; National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign; Kavli Institute of Cosmological Physics at the University of Chicago; Financiadora de Estudos e Projetos; Fundacao Carlos Chagas Filho de Amparo a Pesquisa do Estado do Rio de Janeiro; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico; Ministerio da Ciencia e Tecnologia; Deutsche Forschungsgemeinschaft; Argonne National Laboratory; University of California at Santa Cruz; University of Cambridge; Centro de Investigaciones Energeticas; Medioambientales y Tecnologicas-Madrid; University of Chicago; University College London; DES-Brazil Consortium; Eidgenossische Technische Hochschule (ETH) Zurich; Fermi National Accelerator Laboratory; University of Edinburgh; University of Illinois at Urbana-Champaign; Institut de Ciencies de l'Espai (IEEC/CSIC); Institut de Fisica d'Altes Energies; Lawrence Berkeley National Laboratory; Ludwig-Maximilians Universitat; associated Excellence Cluster Universe; University of Michigan; National Optical Astronomy Observatory; University of Nottingham; Ohio State University; University of Pennsylvania; University of Portsmouth; SLAC National Accelerator Laboratory, Stanford University; University of Sussex; Texas AM University FX This project was supported by SFB-Transregio 33 'The Dark Universe' by the Deutsche Forschungsgemeinschaft (DFG) and the DFG cluster of excellence 'Origin and Structure of the Universe'. DG thanks Pierre Astier, Thomas Diehl, Augustin Guyonnet, Stephen Holland, Mihael Kodric, Ralf Kosyra, and Andy Rasmussen for helpful discussions. GMB acknowledges support for this work from NSF grant AST-1311924 and DOE grant DE-SC007901. AAP is supported by DOE grant DE-AC02-98CH10886 and JPL, which is run under a contract for NASA by Caltech.; Funding for the DES Projects has been provided by the U.S. Department of Energy, the U.S. National Science Foundation, the Ministry of Science and Education of Spain, the Science and Technology Facilities Council of the United Kingdom, the Higher Education Funding Council for England, the National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign, the Kavli Institute of Cosmological Physics at the University of Chicago, Financiadora de Estudos e Projetos, Fundacao Carlos Chagas Filho de Amparo a Pesquisa do Estado do Rio de Janeiro, Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and the Ministerio da Ciencia e Tecnologia, the Deutsche Forschungsgemeinschaft and the Collaborating Institutions in the Dark Energy Survey.; The Collaborating Institutions are Argonne National Laboratory, the University of California at Santa Cruz, the University of Cambridge, Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas-Madrid, the University of Chicago, University College London, the DES-Brazil Consortium, the Eidgenossische Technische Hochschule (ETH) Zurich, Fermi National Accelerator Laboratory, the University of Edinburgh, the University of Illinois at Urbana-Champaign, the Institut de Ciencies de l'Espai (IEEC/CSIC), the Institut de Fisica d'Altes Energies, Lawrence Berkeley National Laboratory, the Ludwig-Maximilians Universitat and the associated Excellence Cluster Universe, the University of Michigan, the National Optical Astronomy Observatory, the University of Nottingham, The Ohio State University, the University of Pennsylvania, the University of Portsmouth, SLAC National Accelerator Laboratory, Stanford University, the University of Sussex, and Texas A&M University. NR 31 TC 7 Z9 7 U1 0 U2 0 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 MAY PY 2015 VL 10 AR C05032 DI 10.1088/1748-0221/10/05/C05032 PG 22 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8ZI UT WOS:000357993300032 ER PT J AU Magill, S Nayfeh, M Fizari, M Malloy, J Maximenko, Y Xie, J Yu, H AF Magill, S. Nayfeh, M. Fizari, M. Malloy, J. Maximenko, Y. Xie, J. Yu, H. TI Enhanced UV light detection using wavelength-shifting properties of Silicon nanoparticles SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Materials for solid-state detectors; Photon detectors for UV, visible and IR photons (solid-state) (PIN diodes, APDs, Si-PMTs, G-APDs, CCDs, EBCCDs, EMCCDs etc); Photon detectors for UV, visible and IR photons (solid-state) AB Detection of UV photons is becoming increasingly necessary with the use of noble gases and liquids in elementary particle experiments. Cerenkov light in crystals and glasses, scintillation light in neutrino, dark matter, and rare decay experiments all require sensitivity to UV photons. New sensor materials are needed that can directly detect UV photons and/or absorb UV photons and re-emit light in the visible range measurable by existing photosensors. It has been shown that silicon nanoparticles are sensitive to UV light in a wavelength range around similar to 200 nm. UV light is absorbed and re-emitted at wavelengths in the visible range depending on the size of the nanoparticles. Initial tests of the wavelength-shifting properties of silicon nanoparticles are presented here that indicate by placing a film of nanoparticles in front of a standard visible-wavelength detecting photosensor, the response of the sensor is significantly enhanced at wavelengths < 320 nm. C1 [Magill, S.; Xie, J.] Argonne Natl Lab, Argonne, IL 60439 USA. [Nayfeh, M.; Fizari, M.; Malloy, J.; Maximenko, Y.; Yu, H.] Univ Illinois, Urbana, IL 61801 USA. RP Magill, S (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM srm@anl.gov FU US National Science Foundation [OISE 11-03-398]; Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX This 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 work was also supported in part by US National Science Foundation grant OISE 11-03-398. NR 7 TC 0 Z9 0 U1 6 U2 13 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 MAY PY 2015 VL 10 AR P05008 DI 10.1088/1748-0221/10/05/P05008 PG 8 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8ZI UT WOS:000357993300040 ER PT J AU O'Connor, P AF O'Connor, P. TI Crosstalk in multi-output CCDs for LSST 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 Front-end electronics for detector readout; Instrument optimisation; Photon detectors for UV, visible and IR photons (solid-state); Large detector systems for particle and astroparticle physics AB LSST's compact, low-power focal plane will be subject to electronic crosstalk with some unique signatures due to its readout geometry. This note describes the crosstalk mechanisms, ongoing characterization of prototypes, and implications for the observing cadence. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP O'Connor, P (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM poc@bnl.gov FU Department of Energy [DE-SC0012704, DE-AC02-76-SFO0515]; Brookhaven National Laboratory; National Science Foundation [0809409]; SLAC National Accelerator Laboratory FX This manuscript has been co-authored by employees of Brookhaven Science Associates, LLC., Portions of this work are supported by the Department of Energy under contract DE-SC0012704 with Brookhaven National Laboratory. LSST project activities are supported in part by the National Science Foundation through Governing Cooperative Agreement 0809409 managed by the Association of Universities for Research in Astronomy (AURA), and the Department of Energy under contract DE-AC02-76-SFO0515 with the SLAC National Accelerator Laboratory. Additional LSST funding comes from private donations, grants to universities, and in-kind support from LSSTC Institutional Members. NR 4 TC 2 Z9 2 U1 0 U2 0 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 MAY PY 2015 VL 10 AR C05010 DI 10.1088/1748-0221/10/05/C05010 PG 10 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8ZI UT WOS:000357993300010 ER PT J AU Whitbeck, A Hirschauer, J AF Whitbeck, A. Hirschauer, J. CA CMS Collaboration TI The CMS central hadron calorimeter DAQ system upgrade SO JOURNAL OF INSTRUMENTATION LA English DT Article; Proceedings Paper CT Topical Workshop on Electronics for Particle Physics CY SEP 22-26, 2014 CL Aix en Provence, FRANCE DE Radiation-hard electronics; Front-end electronics for detector readout; Data acquisition concepts AB The CMS central hadron calorimeters will undergo a complete replacement of their data acquisition system electronics. The replacement is phased, with portions of the replacement starting in 2014 and continuing through LHC Long Shutdown 2 in 2018. The existing VME electronics will be replaced with a mu TCA-based system. New on-detector QIE electronics cards will transmit data at 4.8 GHz to the new mu HTR cards residing in mu TCA crates in the CMS electronics cavern. The mu TCA crates are controlled by the AMC13, which accepts system clock and trigger throttling control from the CMS global DAQ system. The AMC13 distributes the clock to the m HTR and reads out data buffers from the m HTR into the CMS data acquisition system. The AMC 13 also provides the clock for in-crate GLIBs which in turn distribute the clock to the on-detector front end electronics. We report on the design, development status, and schedule of the DAQ system upgrades. C1 [Whitbeck, A.; Hirschauer, J.; CMS Collaboration] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Whitbeck, A (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM awhitbe1@fnal.gov NR 14 TC 0 Z9 0 U1 0 U2 0 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 MAY PY 2015 VL 10 AR C05019 DI 10.1088/1748-0221/10/05/C05019 PG 10 WC Instruments & Instrumentation SC Instruments & Instrumentation GA CM8ZI UT WOS:000357993300019 ER PT J AU Shen, X Yin, KB Puzyrev, YS Liu, YW Sun, LT Li, RW Pantelides, ST AF Shen, Xiao Yin, Kuibo Puzyrev, Yevgeniy S. Liu, Yiwei Sun, Litao Li, Run-Wei Pantelides, Sokrates T. TI 2D Nanovaristors at Grain Boundaries Account for Memristive Switching in Polycrystalline BiFeO3 SO ADVANCED ELECTRONIC MATERIALS LA English DT Article ID THIN-FILM HETEROSTRUCTURES; OXIDES; CONDUCTION; SYSTEMS AB Memristive switching in polycrystalline materials is widely attributed to the formation and rupture of conducting filaments, believed to be mediated by oxygen-vacancy redistribution. The underlying atomic-scale processes are still unknown, however, which limits device modeling and design. Here, experimental data are combined with multiscale calculations to elucidate the entire atomic-scale cycle in undoped polycrystalline BiFeO3. Conductive atomic force microscopy reveals that the grain boundaries behave like 2D nanovaristors, while on the return part of the cycle, the decreasing current is through the grains. Using density-functional-theory and Monte Carlo calculations, the atomic-scale mechanism of the observed phenomena is deduced. Oxygen vacancies in nonequilibrium concentrations are initially distributed relatively uniformly, but they are swept into the grain boundaries by an increasing voltage. A critical voltage, the SET voltage, then eliminates the barrier for hopping conduction through vacancy energy levels in grain boundaries. On the return part of the cycle, the grain boundaries are again nonconductive, but the grains show nonzero conductivity by virtue of remote doping by oxygen vacancies. The RESET voltage amounts to a heat pulse that redistributes the vacancies. The realization that nanovaristors are at the heart of memristive switching in polycrystalline materials may open possibilities for novel devices and circuits. C1 [Shen, Xiao; Puzyrev, Yevgeniy S.; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Yin, Kuibo; Sun, Litao] Southeast Univ, Key Lab MEMS, Minist Educ, SEU FEI Nanopico Ctr, Nanjing 210096, Jiangsu, Peoples R China. [Yin, Kuibo; Pantelides, Sokrates T.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Liu, Yiwei; Li, Run-Wei] Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Key Lab Magnet Mat & Devices, Ningbo 315201, Zhejiang, Peoples R China. [Pantelides, Sokrates T.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA. RP Shen, X (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. EM xiao.shen@vanderbilt.edu; yinkuibo@seu.edu.cn; yevgeniy.s.puzyrev@vanderbilt.edu; slt@seu.edu.cn; runweili@nimte.ac.cn RI Yin, Kuibo/G-5812-2011; Xia, YuQing/C-9724-2017 OI Yin, Kuibo/0000-0001-5268-6807; FU National Science Foundation [DMR-1207241]; McMinn Endowment at Vanderbilt University; NSF XSEDE [TG-DMR130121]; National Basic Research Program of China [2011CB707601, 2012CB933004]; National Natural Science Foundation of China [11204034, 61274114, 113279028, 11474295]; Natural Science Foundation of Jiangsu Province [BK2012123, BK2012024]; Specialized Research Fund for the Doctoral Program of Higher Education of China [20120092120023]; Instrument Developing Project of the Chinese Academy of Sciences [YZ201327]; Ningbo International Cooperation Projects [2012D10018]; Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Directorate; Department of Energy [DE-FG02-09ER46554] FX X.S., K.Y., and Y.S.P. contributed equally to this work. The theoretical work was supported by the National Science Foundation (Grant No. DMR-1207241) and by the McMinn Endowment at Vanderbilt University. Computational support was provided by the NSF XSEDE (Grant No. TG-DMR130121). The experimental work was supported by the National Basic Research Program of China (Grant Nos. 2011CB707601 and 2012CB933004), the National Natural Science Foundation of China (Grant Nos. 11204034, 61274114, 113279028, and 11474295), the Natural Science Foundation of Jiangsu Province (Grant Nos. BK2012123 and BK2012024), the Specialized Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20120092120023), the Instrument Developing Project of the Chinese Academy of Sciences (Grant No. YZ201327), and Ningbo International Cooperation Projects (Grant No. 2012D10018). In the USA, research was supported in part by the Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Directorate (KY, XS) and by the Department of Energy (Grant No. DE-FG02-09ER46554) (STP, YSP). NR 35 TC 5 Z9 5 U1 12 U2 38 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 MAY PY 2015 VL 1 IS 5 AR 1500019 DI 10.1002/aelm.201500019 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CM4LJ UT WOS:000357655700006 ER PT J AU Doughty, AM Schaefer, JM Putnam, AE Denton, GH Kaplan, MR Barrell, DJA Andersen, BG Kelley, SE Finkel, RC Schwartz, R AF Doughty, Alice M. Schaefer, Joerg M. Putnam, Aaron E. Denton, George H. Kaplan, Michael R. Barrell, David J. A. Andersen, Bjorn G. Kelley, Samuel E. Finkel, Robert C. Schwartz, Roseanne TI Mismatch of glacier extent and summer insolation in Southern Hemisphere mid-latitudes SO GEOLOGY LA English DT Article ID NEW-ZEALAND; LAST DEGLACIATION; ALPS; BE-10; CHRONOLOGY; MAXIMUM; OCEAN; TEMPERATURE; CLIMATE; SEESAW AB Here we address a long-standing puzzle of ice-age climate called the "fly in the ointment of the Milankovitch theory." Using geomorphic mapping and Be-10 surface-exposure dating, we show that five moraine belts were formed during maxima of the last ice age by the Pukaki glacier in New Zealand's Southern Alps. They afford ages of 41.76 +/- 1.09 ka, 35.50 +/- 1.26 ka, 27.17 +/- 0.68 ka, 20.27 +/- 0.60 ka, and 18.29 +/- 0.49 ka. These five maxima spanned an entire precessional cycle in summer insolation intensity at the latitude of the Southern Alps. A similar mismatch between summer insolation and glacier extent also characterized the Chilean Lake District in the mid-latitudes of South America. Thus, in apparent contrast to northern ice sheets linked by Milankovitch to summer insolation at 65 degrees N latitude, the behavior of southern mid-latitude glaciers was not tied to local summer insolation intensity. Instead, glacier extent between 41.76 ka and 18.29 ka, as well as during the last termination, was aligned with Southern Ocean surface temperature and with atmospheric carbon dioxide. C1 [Doughty, Alice M.] Dept Earth Sci, Dartmouth Coll, Hanover, NH 03755 USA. [Doughty, Alice M.; Putnam, Aaron E.; Denton, George H.] Univ Maine, Sch Earth & Climate Sci, Orono, ME 04469 USA. [Doughty, Alice M.; Putnam, Aaron E.; Denton, George H.] Univ Maine, Climate Change Inst, Orono, ME 04469 USA. [Schaefer, Joerg M.; Putnam, Aaron E.; Kaplan, Michael R.; Schwartz, Roseanne] Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY 10944 USA. [Schaefer, Joerg M.] Columbia Univ, Dept Earth & Environm Sci, New York, NY 10027 USA. [Barrell, David J. A.] GNS Sci, Dunedin 9016, New Zealand. [Andersen, Bjorn G.] Univ Oslo, Dept Geosci, N-0316 Oslo, Norway. [Kelley, Samuel E.] Dept Earth & Environm Sci, Waterloo, ON N2L 3G1, Canada. [Finkel, Robert C.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 95064 USA. [Finkel, Robert C.] Lawrence Livermore Natl Lab, CAMS, Livermore, CA 94550 USA. RP Doughty, AM (reprint author), Dept Earth Sci, Dartmouth Coll, Hanover, NH 03755 USA. RI Kaplan, Michael/D-4720-2011; OI Putnam, Aaron/0000-0002-5358-1473 FU Gary C. Comer Science and Education Foundation; U.S. National Science Foundation [EAR-0745781, EAR-1102782]; New Zealand Government through the GNS Science "Global Change through Time" research program FX We are grateful to T.J. and G. Wills of Irishman Creek Station, J. Murray of The Wolds Station, and Guide Hill Station for permitting access to the moraines, and T. Ritchie and K. Ritchie of Lake Ruataniwha Holiday Park for providing excellent accommodation. We appreciate assistance from S. Travis in sample collection and D. Sprecher in laboratory techniques. We thank W.S. Broecker for insightfull discussions about glacial cycles. We thank S. Birkel and B. Hall for insightful discussions and help with early drafts of this manuscript. Reviews by B. Laabs, D. Sugden, and three anonymous reviewers helped us to improve the paper, and we are grateful to editor E. Thomas for additional comments and guidance. Funding was provided by the Gary C. Comer Science and Education Foundation and the U.S. National Science Foundation (EAR-0745781; EAR-1102782). D. Barrell was supported by funding from the New Zealand Government through the GNS Science "Global Change through Time" research program. This is Lamont-Doherty Earth Observatory contribution #7879. NR 29 TC 10 Z9 10 U1 3 U2 13 PU GEOLOGICAL SOC AMER, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 0091-7613 EI 1943-2682 J9 GEOLOGY JI Geology PD MAY PY 2015 VL 43 IS 5 BP 407 EP 410 DI 10.1130/G36477.1 PG 4 WC Geology SC Geology GA CM3XT UT WOS:000357619400010 ER PT J AU Pendleton, SL Ceperley, EG Briner, JP Kaufman, DS Zimmerman, S AF Pendleton, Simon L. Ceperley, Elizabeth G. Briner, Jason P. Kaufman, Darrell S. Zimmerman, Susan TI Rapid and early deglaciation in the central Brooks Range, Arctic Alaska SO GEOLOGY LA English DT Article ID LAST GLACIAL MAXIMUM; YOUNGER DRYAS; CLIMATE; BE-10; TERMINATION; RECORD; CANADA; RATES; AGES AB Alpine-style glaciation was rare in the Arctic during the last glaciation because ice sheets occupied most of the glaciated high latitudes. Due to the tight coupling of alpine-glacier fluctuations with climate, the geomorphic evidence of such fluctuations in the Brooks Range, Alaska (USA), presents a unique opportunity to study past climate changes in this portion of the Arctic. We use cosmogenic Be-10 exposure dating to directly date Last Glacial Maximum (LGM) terminal moraines and deglaciation in the central Brooks Range. Be-10 ages from moraine boulders indicate that the LGM culminated at ca. 21 ka and was followed by substantial retreat upvalley prior to a second moraine-building episode culminating at ca. 17 ka. Subsequent rapid deglaciation occurred between ca. 16 ka and 15 ka, when glaciers receded to within their Neoglacial limits. Initial deglaciation after the LGM was likely caused by ice sheet-induced atmospheric circulation changes and increasing insolation. Brooks Range glaciers largely disappeared during Heinrich Stadial 1, prior to significant warming in the North Atlantic region during the Bolling-Allerod, but coincident with global CO2 rise. Glacier fluctuations during the late-glacial period, if any, were restricted to within their Neoglacial extents. This new chronology suggests that ice sheet-modulated atmospheric circulation and global CO2 dominate glacial climate forcings in Arctic Alaska. C1 [Pendleton, Simon L.; Ceperley, Elizabeth G.; Briner, Jason P.] SUNY Buffalo, Dept Geol, Buffalo, NY 14260 USA. [Kaufman, Darrell S.] Univ Arizona, Sch Earth Sci & Environm Sustainabil, Flagstaff, AZ 86011 USA. [Zimmerman, Susan] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. RP Pendleton, SL (reprint author), Univ Colorado, Dept Geol Sci, UCB 399, Boulder, CO 80309 USA. RI Kaufman, Darrell/A-2471-2008 OI Kaufman, Darrell/0000-0002-7572-1414 FU National Science Foundation [ARC-1107854, ARC-1107662]; Murie Science and Learning Center Fellowship; SUNY Buffalo grant FX We thank Kathryn Ladig for field assistance, Sam Kelley, Nicolas Young, Sylvia Choi, and Mathew McClellan for laboratory assistance, and Fred Luiszer for ICP measurements. Samples were collected with National Park Service permission in Gates of the Arctic National Park & Preserve. This work was supported by National Science Foundation grants ARC-1107854 and ARC-1107662 to Briner and Kaufman, respectively, and a Murie Science and Learning Center Fellowship and SUNY Buffalo grant to Pendleton. Comments by Jacob Heyman, Dave Barbeau, Jeff Bond, and two anonymous reviewers greatly improved this manuscript. NR 31 TC 3 Z9 3 U1 2 U2 8 PU GEOLOGICAL SOC AMER, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 0091-7613 EI 1943-2682 J9 GEOLOGY JI Geology PD MAY PY 2015 VL 43 IS 5 BP 419 EP 422 DI 10.1130/G36430.1 PG 4 WC Geology SC Geology GA CM3XT UT WOS:000357619400013 ER PT J AU Xu, FH Curty, M Qi, B Lo, HK AF Xu, Feihu Curty, Marcos Qi, Bing Lo, Hoi-Kwong TI Measurement-Device-Independent Quantum Cryptography SO IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS LA English DT Article DE Quantum key distribution (QKD); quantum cryptography; quantum hacking; measurement-device-independent QKD; quantum communication ID SINGLE-PHOTON DETECTORS; KEY DISTRIBUTION-SYSTEM; UNCONDITIONAL SECURITY; PROOF; CRYPTOSYSTEMS; EFFICIENCY; NETWORK; ATTACK AB In theory, quantum key distribution (QKD) provides information-theoretic security based on the laws of physics. Owing to the imperfections of real-life implementations, however, there is a big gap between the theory and practice of QKD, which has been recently exploited by several quantum hacking activities. To fill this gap, a novel approach, called measurement-device-independent QKD (mdiQKD), has been proposed. It can remove all side-channels from the measurement unit, arguably the most vulnerable part in QKD systems, thus offering a clear avenue toward secure QKD realisations. Here, we review the latest developments in the framework of mdiQKD, together with its assumptions, strengths, and weaknesses. C1 [Xu, Feihu; Lo, Hoi-Kwong] Univ Toronto, Ctr Quantum Informat & Quantum Control, Dept Phys, Toronto, ON M5S 3G4, Canada. [Xu, Feihu; Lo, Hoi-Kwong] Univ Toronto, Dept Elect & Comp Engn, Toronto, ON M5S 3G4, Canada. [Xu, Feihu] MIT, Elect Res Lab, Cambridge, MA 02139 USA. [Curty, Marcos] Univ Vigo, Escuela Ingn Telecomunicac, Dept Signal Theory & Commun, E-36310 Vigo, Pontevedra, Spain. [Qi, Bing] Oak Ridge Natl Lab, Quantum Informat Sci Grp, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. RP Xu, FH (reprint author), Univ Toronto, Ctr Quantum Informat & Quantum Control, Dept Phys, Toronto, ON M5S 3G4, Canada. EM tigerfeihuxu@gmail.com; mcurty@com.uvigo.es; qib1@ornl.gov; hklo@comm.utoronto.ca RI Qi, Bing/J-5028-2014 OI Qi, Bing/0000-0001-7723-8998 FU NSERC; CRC program; Connaught Innovation fund; Industry Canada; European Regional Development Fund; Spanish National Research and Development Program under Project Terasense [CSD2008-00068]; Galician Regional Government [CN2012/279, CN 2012/260]; consolidation of Research Unit: AtlantTIC; consolidation of Research Unit: program Ayudas Para Proyectos de Investigacion Desarrollados por Investigadores Emergentes; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; Shahid U.H. Qureshi Memorial Scholarship; OGS VISA Award FX This work was supported in part by NSERC, the CRC program, Connaught Innovation fund and Industry Canada, the European Regional Development Fund, the Spanish National Research and Development Program under Project Terasense CSD2008-00068 (Consolider-Ingenio 2010), the Galician Regional Government (Projects CN2012/279 and CN 2012/260, consolidation of Research Units: AtlantTIC, and the program Ayudas Para Proyectos de Investigacion Desarrollados por Investigadores Emergentes), and the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. The work of F. Xu was supported by the Shahid U.H. Qureshi Memorial Scholarship and the OGS VISA Award. NR 94 TC 13 Z9 13 U1 5 U2 22 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1077-260X EI 1558-4542 J9 IEEE J SEL TOP QUANT JI IEEE J. Sel. Top. Quantum Electron. PD MAY-JUN PY 2015 VL 21 IS 3 AR 6601111 DI 10.1109/JSTQE.2014.2381460 PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA CM4HR UT WOS:000357645900001 ER PT J AU Murphy, DJ Horner, RM Clark, CE AF Murphy, David J. Horner, Robert M. Clark, Corrie E. TI The impact of off-site land use energy intensity on the overall life cycle land use energy intensity for utility-scale solar electricity generation technologies SO JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY LA English DT Article ID GREENHOUSE-GAS EMISSIONS; SYSTEMS AB Estimates of the amount of land used for a defined amount of utility-scale electricity generation in the solar power industry, referred to as solar land use energy intensity (LUEI), are important to decision makers for evaluating the environmental impact of energy technology choices. In general, solar energy tends to have a larger on-site LUEI than that of fossil fuels because the energy generated per square meter of power plant area is much lower. Unfortunately, there are few studies that quantify the off-site LUEI for utility-scale solar energy, and of those that do, they share common methodologies and data sets. In this study, we develop a new method for calculating the off-site LUEI for utility-scale solar energy for three different technologies: silicon photovoltaic (Si-PV), cadmium-telluride (CdTe) PV, and parabolic trough concentrated solar thermal. Our results indicate that the off-site LUEI is most likely 1% or less of the on-site LUEI for each technology. Although our results have some inherent uncertainties, they fall within an order of magnitude of other estimates in the literature. (C) 2015 AIP Publishing LLC. C1 [Murphy, David J.] St Lawrence Univ, Canton, NY 13617 USA. [Horner, Robert M.; Clark, Corrie E.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Horner, RM (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rhorner@anl.gov FU U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Office of Solar Energy Technology 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. Argonne's work was supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Office of Solar Energy Technology. 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 14 TC 2 Z9 2 U1 2 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1941-7012 J9 J RENEW SUSTAIN ENER JI J. Renew. Sustain. Energy PD MAY PY 2015 VL 7 IS 3 AR 033116 DI 10.1063/1.4921650 PG 9 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA CM4WA UT WOS:000357684800017 ER PT J AU Bushnell, P Morozova, T Hester, S Ward, M Oshiro, W Lin, M McKee, J Higuchi, M Boyes, W Judson, R Tatum-Gibbs, K Mackay, TFC AF Bushnell, P. Morozova, T. Hester, S. Ward, M. Oshiro, W. Lin, M. McKee, J. Higuchi, M. Boyes, W. Judson, R. Tatum-Gibbs, K. Mackay, T. F. C. TI Neurogenetics of toluene in Drosophila SO NEUROTOXICOLOGY AND TERATOLOGY LA English DT Meeting Abstract CT 39th Annual Meeting of the Neurobehavioral-Teratology-Society (NBTS) / 15th Biennial Meeting of the International-Neurotoxicology-Association (INA) Held in Conjunction with the 55th Annual Meeting of the Teratology-Society CY JUN 27-JUL 01, 2015 CL Montreal, CANADA SP Neurobehavioral Teratol Soc, Int Neurotoxicol Assoc, Teratol Soc C1 [Bushnell, P.; Hester, S.; Ward, M.; Oshiro, W.; McKee, J.; Higuchi, M.; Boyes, W.] US EPA, Natl Hlth & Environm Effects Res Lab, ORD, Res Triangle Pk, NC 27711 USA. [Morozova, T.; Mackay, T. F. C.] N Carolina State Univ, Raleigh, NC 27695 USA. [Lin, M.; Tatum-Gibbs, K.] ORISE Fellowship Program, Atlanta, NC USA. [Judson, R.] US EPA, Natl Ctr Computat Toxicol, ORD, Res Triangle Pk, NC 27711 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0892-0362 EI 1872-9738 J9 NEUROTOXICOL TERATOL JI Neurotoxicol. Teratol. PD MAY-JUN PY 2015 VL 49 MA NTX32 BP 110 EP 111 DI 10.1016/j.ntt.2015.04.038 PG 2 WC Neurosciences; Toxicology SC Neurosciences & Neurology; Toxicology GA CL7HI UT WOS:000357142700042 ER PT J AU Lorenzo-Martin, C Ajayi, OO AF Lorenzo-Martin, Cinta Ajayi, Oyelayo O. TI Rapid surface hardening and enhanced tribological performance of 4140 steel by friction stir processing SO WEAR LA English DT Article; Proceedings Paper CT 20th International Wear of Materials Conference (WOM) CY APR 12-16, 2015 CL Toronto, CANADA DE FSP; Surface hardening; Friction; Wear; Phase transformation; Grain refinement ID CARBON-STEEL; MICROSTRUCTURAL EVOLUTION AB Tribological performance of steel materials can be substantially enhanced by various thermal surface hardening processes. For relatively low-carbon steel alloys, case carburization is often used to improve surface performance and durability. If the carbon content of steel is high enough (> 0.4%), thermal treatments such as induction, flame, laser, etc. can produce adequate surface hardening without the need for surface compositional change. This paper presents an experimental study of the use of friction stir processing (FSP) as a means to hardened surface layer in AISI 4140 steel. The impacts of this surface hardening process on the friction and wear performance were evaluated under both dry and lubricated contact conditions in reciprocating sliding. FSP produced the same level of hardening and superior tribological performance when compared to conventional thermal treatment, using only 10% of the energy and without the need for quenching treatments. With FSP surface hardness of about 7.8 GPa (62 Rc) was achieved while water quenching conventional heat treatment produced about 7.5 GPa (61 Rc) hardness. Microstructural analysis showed that both FSP and conventional heat treatment produced martensite. Although the friction behavior for FSP treated surfaces and the conventional heat treatment were about the same, the wear in FSP processed surfaces was reduced by almost 2 x that of conventional heat treated surfaces. The superior performance is attributed to the observed grain refinement accompanying the FSP treatment in addition to the formation of martensite. As it relates to tribological performance, this study shows FSP to be an effective, highly energy efficient, and environmental friendly (green) alternative to conventional heat treatment for steel. (C) 2015 Elsevier B.V. All rights reserved. C1 [Lorenzo-Martin, Cinta; Ajayi, Oyelayo O.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Ajayi, OO (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ajayi@anl.gov FU U.S. Department of Energy, Energy Efficiency and Renewable Energy, Office of Vehicle Technologies [DE-ACO2-06CH11357]; U.S. Department of Energy Office of Science Laboratory [DE-ACO2-06CH11357] FX This work was supported by U.S. Department of Energy, Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, under contract DE-ACO2-06CH11357. The electron microscopy was accomplished at the EMC at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory operated under Contract no. DE-ACO2-06CH11357 by UChicago Argonne, LLC. NR 20 TC 2 Z9 2 U1 3 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0043-1648 EI 1873-2577 J9 WEAR JI Wear PD MAY-JUN PY 2015 VL 332 SI SI BP 962 EP 970 DI 10.1016/j.wear.2015.01.052 PG 9 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA CM1JV UT WOS:000357438100040 ER PT J AU Cai, ZB Zhou, Y Qu, J AF Cai, Zhen-bing Zhou, Yan Qu, Jun TI Effect of oil temperature on tribological behavior of a lubricated steel-steel contact SO WEAR LA English DT Article; Proceedings Paper CT 20th International Wear of Materials Conference (WOM) CY APR 12-16, 2015 CL Toronto, CANADA DE Base oil; Temperature; Moisture; Oxidation; Wear mechanism; Surface film ID WATER; WEAR; CONTAMINATION; PERFORMANCE AB Tribological tests were conducted on an AISI A2 steel plate against an AISI 51200 steel ball lubricated by SAE 0W30 and PAO 4 cSt base oils containing no additive package. Friction and wear behaviors were evaluated at room temperature (RT, 23 degrees C) and a series of elevated temperatures (75, 100, 125 and 175 degrees C). The steady-state friction coefficient appeared to be proportional to the oil temperature, probably because reduced oil viscosity at a higher temperature caused more surface asperity collisions. In contrast, wear results did not follow the trend: the wear rate surprisingly decreased when the oil temperature increased from RI to 75 - 100 degrees C, and then turned around to increase along with the temperature at above 100 degrees C. Evidentially, there are other significant factors than just the oil viscosity that influence the wear process upon the temperature change. Wear scar morphology examination and surface chemical analysis revealed an oxide-containing surface film on the wear scars and higher oxide content and larger film coverage seemed to reduce the wear rate. Therefore, the wear mechanism is proposed as a combined effect of mechanical material removal and protective surface film formation: the former largely depending on oil viscosity that is inversely proportional to the temperature and the latter involving surface and wear debris oxidation that is promoted by temperature elevation as well as the water content (up to 100 degrees C) in the oil. (C) 2015 Elsevier B.V. All rights reserved. C1 [Cai, Zhen-bing] Southwest Jiaotong Univ, Tribol Res Inst, Key Lab Adv Technol Mat, Chengdu 610031, Peoples R China. [Cai, Zhen-bing; Zhou, Yan; Qu, Jun] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Zhou, Yan] Texas A&M Univ, Mat Sci & Engn, College Stn, TX 77843 USA. RP Qu, J (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM qujn@ornl.gov OI Zhou, Yan/0000-0001-6715-3712; Qu, Jun/0000-0001-9466-3179 FU Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy; US Department of Energy; China Scholarship Council; UT-Battelle, LLC [DE-AC05-00OR22725] FX The authors thank Drs. X.-g. Sun and H.M. Meyer III from ORNL for measuring water content in the oil, and discussing the XPS results, respectively. The authors also thank A.G. Bro from Exxon-Mobil for providing the PAO base oil and T. Daniels and J. Green from Chevron for providing the 0W30 base oil. This research was sponsored by the Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy, and US Department of Energy. Dr. Z.-b. Cai was supported by the China Scholarship Council Study Abroad Fund.; Notice: This manuscript has been authored by UT-Battelle, LLC, under Contract no. DE-AC05-00OR22725 with the US Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 15 TC 4 Z9 4 U1 1 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0043-1648 EI 1873-2577 J9 WEAR JI Wear PD MAY-JUN PY 2015 VL 332 SI SI BP 1158 EP 1163 DI 10.1016/j.wear.2015.01.064 PG 6 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA CM1JV UT WOS:000357438100064 ER PT J AU Olofinjana, B Lorenzo-Martin, C Ajayi, OO Ajayi, EO AF Olofinjana, Bolutife Lorenzo-Martin, Cinta Ajayi, Oyelayo O. Ajayi, Ezekiel O. TI Effect of laser surface texturing (LST) on tribochemical films dynamics and friction and wear performance SO WEAR LA English DT Article; Proceedings Paper CT 20th International Wear of Materials Conference (WOM) CY APR 12-16, 2015 CL Toronto, CANADA DE LST; Tribochemical films; Oil additives; Friction; Wear; Lubrication regimes ID BOUNDARY LUBRICATION; SLIDING CONTACT; TRIBOFILMS; REDUCTION; FACES AB Surface texturing or topographical design is one of the primary techniques to control friction and wear performance of surfaces in tribological contact. Laser surface texturing (LST), whereby a laser beam is used to produce regular arrays of dimples on a surface, has been demonstrated to reduce friction in conformal lubricated contacts. Friction and wear behavior under boundary lubrication is also known to be dependent on the formation and durability of the tribochemical film formed from lubricant additives. In this paper, the effects of LST on the formation and durability of tribochemical films and its consequent impacts on friction and wear behavior in various lubrication regimes were evaluated. Friction and wear tests that cycled through different lubrication regimes were conducted with both polished and LST treated surfaces using a synthetic lubricant with and without model additives of ZDDP and MoDTC mixture. In the base oil without additives, LST produced noticeable reduction in friction in all lubrication regimes. However, with low-friction model additives, friction was higher in tests with LST due to significant differences in the tribochemical film formation in the polished and LST surfaces, as well as the sliding counterface. Continuous tribo-films were formed on ball conterface rubbed against polished surfaces while the films were streaky and discontinuous in ball rubbed against IST surfaces. LST produced more wear on the ball counterface in both base and additized oils. No measurable wear was observed in both the polished and LST flat specimens. (C) 2015 Elsevier B.V. All rights reserved. C1 [Olofinjana, Bolutife; Lorenzo-Martin, Cinta; Ajayi, Oyelayo O.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Olofinjana, Bolutife; Ajayi, Ezekiel O.] Obafemi Awolowo Univ, Dept Phys, Ife, Nigeria. RP Ajayi, OO (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ajayi@anl.gov FU U.S. Department of Energy, Energy Efficiency and Renewable Energy, Office of Vehicle Technologies [DE-AC02-06CH11357]; UChicago Argonne, LLC [DE-AC02-06CH11357] FX This work was supported by U.S. Department of Energy, Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, under Contract DE-AC02-06CH11357. The electron microscopy was accomplished at the EMC at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory operated under Contract no. DE-AC02-06CH11357 by UChicago Argonne, LLC. NR 20 TC 1 Z9 1 U1 2 U2 20 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0043-1648 EI 1873-2577 J9 WEAR JI Wear PD MAY-JUN PY 2015 VL 332 SI SI BP 1225 EP 1230 DI 10.1016/j.wear.2015.02.050 PG 6 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA CM1JV UT WOS:000357438100072 ER PT J AU Qu, J Meyer, HM Cai, ZB Ma, C Luo, HM AF Qu, Jun Meyer, Harry M., III Cai, Zhen-Bing Ma, Cheng Luo, Huimin TI Characterization of ZDDP and ionic liquid tribofilms on non-metallic coatings providing insights of tribofilm formation mechanisms SO WEAR LA English DT Article; Proceedings Paper CT 20th International Wear of Materials Conference (WOM) CY APR 12-16, 2015 CL Toronto, CANADA DE ZDDP; Ionic liquid; Coating; Boride; DLC; Tribofilm ID DIAMOND-LIKE CARBON; LUBRICANT ADDITIVES; ANTIWEAR PERFORMANCE; WEAR MECHANISMS; FRICTION; BEHAVIOR; FILMS; ORGANOPHOSPHATE; TRIBOLOGY; ALUMINUM AB Lubricant anti-wear additives are known to chemically interact with metallic surfaces to form a self-healing, wear-protection tribofilm. Their interactions with non-metallic surfaces are however less understood. Here we report recent findings on whether and how a zinc dialkyldithiophosphate (ZDDP) and a phosphonium-organophosphate ionic liquid (IL) form tribofilms on three hard coatings, AlMgB14-TiB2, TiB2, and diamond like carbon (a-C:H DLC), when sliding against a steel ball. Systematic characterization was conducted on the coating wear scars including top surface morphology imaging and elemental mapping, layer-by-layer chemical analysis, and cross section nanostructural examination. The ZDDP and IL tribofilms on the boride coatings are up to 50-70 am thick with 75-80% surface coverage while the tribofilms on DLC were <25 nm thick and only covered 20-30% of the contact area. The presence of iron compounds in the tribofilms suggests a critical role for wear debris in tribofilm formation. Oxidation products of TiB2 were detected in the tribofilms, while no involvement of the DLC surface in tribofilm formation was observed. Results suggest that wear debris digestion and contact surface reaction both are critical in tribofilm formation: the former process is responsible in forming the bulk of the tribofilm and the latter provides strong bonding of the tribofilm to the contact surface. (C) 2015 Elsevier B.V. All rights reserved. C1 [Qu, Jun; Meyer, Harry M., III; Cai, Zhen-Bing; Ma, Cheng] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37830 USA. [Cai, Zhen-Bing] Southwest Jiaotong Univ, Key Lab Adv Technol Mat, Tribol Res Inst, Leshan, Peoples R China. [Luo, Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37830 USA. RP Qu, J (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, POB 2008,MS-6063, Oak Ridge, TN 37830 USA. EM qujn@ornl.gov RI Ma, Cheng/C-9120-2014; OI Qu, Jun/0000-0001-9466-3179 FU Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy (DOE); UT-Battelle, LLC [DE-AC05-000R22725]; U.S. Department of Energy FX The authors thank Dr. Y. Zhou from ORNL for cross-sectional SEM imaging and EDS elemental mapping of the coatings, D.W. Coffey from ORNL for TEM sample preparation, Dr. M. Chi from ORNL for discussion in TEM analysis, C. Higdon from Eaton for providing the boride coatings, P. Kay from HEF for providing the DLC coating, and Dr. E. Bardasz from Lubrizol for providing the ZDDP, respectively. Research sponsored by the Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy (DOE).; Notice: This report 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. NR 45 TC 9 Z9 10 U1 4 U2 22 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0043-1648 EI 1873-2577 J9 WEAR JI Wear PD MAY-JUN PY 2015 VL 332 SI SI BP 1273 EP 1285 DI 10.1016/j.wear.2015.01.076 PG 13 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA CM1JV UT WOS:000357438100078 ER PT J AU Scharf, TW Prasad, SV Kotula, PG Michael, JR Robino, CV AF Scharf, T. W. Prasad, S. V. Kotula, P. G. Michael, J. R. Robino, C. V. TI Elevated temperature tribology of cobalt and tantalum-based alloys SO WEAR LA English DT Article; Proceedings Paper CT 20th International Wear of Materials Conference (WOM) CY APR 12-16, 2015 CL Toronto, CANADA DE Sliding wear; High temperature wear; Cobalt alloys; Tantalum alloys; Glaze layer ID SURFACE MODIFICATIONS; SLIDING WEAR; FRICTION; BEHAVIOR; METALS AB This paper describes the friction and wear behavior of a Co-Cr alloy sliding on a Ta-W alloy. Measurements were performed in a pin-on-flat configuration with a hemispherically tipped Co-base alloy pin sliding on a Ta-W alloy flat from ambient to 430 degrees C. Focused ion beam-scanning electron microscopy (FIB-SEM) and cross-sectional transmission electron microscopy (TEM) were used to identify the friction-induced changes to the chemistry and crystal structure in the subsurface regions of wear tracks. During sliding contact, transfer of material varied as a function of the test temperature, either from pin-to-flat, flat-to-pin, or both, resulting in either wear loss and/or volume gain. Friction coefficients (mu) and wear rates also varied as a function of test temperature. The lowest friction coefficient (mu=0.25) and wear rate (1 x 10(-4) mm(3)/N m) were observed at 430 degrees C in argon atmosphere. This was attributed to the formation of a Co-base metal oxide layer (glaze), predominantly (Co, Cr)O with Rocksalt crystal structure, on the pin surface. Part of this oxide film transferred to the wear track on Ta-W, providing a self-mated oxide-on-oxide contact. Once the oxide glaze is formed, it is able to provide friction reduction for the entire temperature range of this study; ambient to 430 degrees C. The results of this study indicate that glazing the surfaces of Haynes alloys with continuous layers of cobalt chrome oxide prior to wear could protect the cladded surfaces from damage. (C) 2015 Elsevier B.V. All rights reserved. C1 [Scharf, T. W.; Prasad, S. V.; Kotula, P. G.; Michael, J. R.; Robino, C. V.] Sandia Natl Labs, Ctr Mat Sci & Engn, Albuquerque, NM 87185 USA. RP Prasad, SV (reprint author), Sandia Natl Labs, Ctr Mat Sci & Engn, Albuquerque, NM 87185 USA. EM svprasa@sandia.gov RI Kotula, Paul/A-7657-2011 OI Kotula, Paul/0000-0002-7521-2759 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to acknowledge Rand Garfield for design and construction of the high temperature wear tester. We also thank Lisa Marie Lowery, Michael Rye and Garry Bryant for preparing focused ion beam samples, Amy Allen for scanning electron microscopy studies, and Jon-Erik Mogonye for optical profilometry rendering and analysis. The authors also acknowledge Thomas Buchheit for reviewing the manuscript. 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 16 TC 2 Z9 2 U1 7 U2 27 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0043-1648 EI 1873-2577 J9 WEAR JI Wear PD MAY-JUN PY 2015 VL 330 SI SI BP 199 EP 208 DI 10.1016/j.wear.2014.12.051 PG 10 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA CM1JU UT WOS:000357438000023 ER PT J AU Anderson, KS Pepe, M Marks, J Engstrom, P Patriotis, C Zangar, R Skates, S Lampe, P LaBaer, J Li, CI AF Anderson, Karen S. Pepe, Margaret Marks, Jeffrey Engstrom, Paul Patriotis, Christos Zangar, Richard Skates, Steven Lampe, Paul LaBaer, Joshua Li, Christopher I. TI A blinded multicenter phase II study of a panel of plasma biomarkers for the detection of triple negative breast cancer SO CANCER RESEARCH LA English DT Meeting Abstract CT 37th Annual CTRC-AACR San Antonio Breast Cancer Symposium CY DEC 09-13, 2014 CL San Antonio, TX SP Canc Therapy Res Ctr, Amer Assoc Canc Res C1 [Anderson, Karen S.; LaBaer, Joshua] Arizona State Univ, Biodesign Inst, Tempe, AZ 85287 USA. [Pepe, Margaret; Lampe, Paul; Li, Christopher I.] Fred Hutchinson Canc Res Ctr, Seattle, WA USA. [Marks, Jeffrey] Duke Univ, Med Ctr, Durham, NC 27706 USA. [Engstrom, Paul] Fox Chase Canc Ctr, Philadelphia, PA USA. [Patriotis, Christos] Natl Canc Inst, Bethesda, MD USA. [Zangar, Richard] Pacific NW Natl Lab, Richland, WA USA. [Skates, Steven] Massachusetts Gen Hosp, Boston, MA 02114 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 EI 1538-7445 J9 CANCER RES JI Cancer Res. PD MAY 1 PY 2015 VL 75 SU 9 MA P4-02-05 PG 2 WC Oncology SC Oncology GA CL1UK UT WOS:000356730202156 ER PT J AU Snow, MS Snyder, DC Mann, NR White, BM AF Snow, Mathew S. Snyder, Darin C. Mann, Nick R. White, Byron M. TI Method for ultra-trace cesium isotope ratio measurements from environmental samples using thermal ionization mass spectrometry SO INTERNATIONAL JOURNAL OF MASS SPECTROMETRY LA English DT Article DE Cesium-135; Cesium-137; Ammonium molybdophosphate ID POWER-PLANT ACCIDENT; RADIOACTIVE CONTAMINATION; FUKUSHIMA PREFECTURE; COMPOSITE SORBENTS; SEDIMENT SAMPLES; AMP-PAN; NUCLEAR; CS-137; ADSORPTION; CS-137/CS-135 AB Cs-135/Cs-137 isotope ratios can provide the age, origin and history of environmental Cs contamination. Relatively high precision Cs-135/Cs-137 isotope ratio measurements from samples containing femtogram quantities of (CS)-C-137 are needed to accurately track contamination resuspension and redistribution following environmental Cs-137 releases; however, mass spectrometric analyses of environmental samples are limited by the large quantities of ionization inhibitors and isobaric interferences which are present at relatively high concentrations in the environment. We report a new approach for Cs purification from environmental samples. An initial ammonium molybdophosphate-polyacrylonitrile (AMP-PAN) column provides a robust, selective method for extracting Cs under a wide variety of sample matrices and mass loads. Application of a novel cation exchange separation approach using AMP-PAN results in more than two orders of magnitude greater Cs/Rb separation factors than commercially available strong cation exchangers. Final sample purification using a microcation column (AG50W resin) enables consistent 2-4% (2 sigma) measurement errors for samples containing 3-6000 fg Cs-137, representing the highest precision (CS)-C-135/Cs-137 ratio measurements currently reported for soil samples at the femtogram level. Published by Elsevier B.V. C1 [Snow, Mathew S.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. [Snow, Mathew S.; Snyder, Darin C.; Mann, Nick R.; White, Byron M.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Snow, MS (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM mathew.snow@inl.gov RI Snyder, Darin/B-6863-2017 OI Snyder, Darin/0000-0001-8104-4248 FU U.S. Department of Homeland Security [2012-DN-130-NF0001-02]; Battelle Energy Alliance, LLC [DE-AC07-05ID14517]; U.S. Department of Energy FX This material is based upon work supported in part by the U.S. Department of Homeland Security under Grant Award Number, 2012-DN-130-NF0001-02, and in part, by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 with the U.S. Department of Energy. Neither the U.S. Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. References herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the U.S. Government or any agency thereof. Views and opinions of the authors expressed herein do not necessarily state or reflect those of the U.S. Government or any agency thereof. NR 29 TC 10 Z9 10 U1 4 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-3806 EI 1873-2798 J9 INT J MASS SPECTROM JI Int. J. Mass Spectrom. PD MAY 1 PY 2015 VL 381 BP 17 EP 24 DI 10.1016/j.ijms.2015.03.006 PG 8 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA CL8LT UT WOS:000357226900003 ER PT J AU Park, Y Eriksson, N Keiser, DD Jue, JF Rabin, B Moore, G Sohn, YH AF Park, Y. Eriksson, N. Keiser, D. D., Jr. Jue, J. F. Rabin, B. Moore, G. Sohn, Y. H. TI Microstructural anomalies in hot-isostatic pressed U-10 wt.% Mo fuel plates with Zr diffusion barrier SO MATERIALS CHARACTERIZATION LA English DT Article DE Uranium alloy; Zirconium; Microstructure; Transmission electron microscopy ID DISPERSION FUEL; HIGH-DENSITY; URANIUM; ALLOY; MATRIX AB Microstructural anomalies in the co-rolled-and-HIP'ed U-10 wt.% Mo (U10Mo) metallic fuel plate with Zr diffusion barrier assembly were examined as a function of HIP temperature (from 520 to 580 degrees C) and duration (45, 60, 90, 180 and 345 min) by scanning and transmission electron microscopy. The anomalies observed in this study are carbide/oxide inclusions within the U10Mo fuel alloy, and regions of limited interaction between the U10Mo alloy and Zr barrier, frequently associated with carbide/oxide inclusions. In the U10Mo alloy, the cF8, Fm3m (225) UC phase (a = 4.955 angstrom) and cF12, Fm3m (225) UO2 phase (a = 5.467 angstrom) were observed throughout the U10Mo alloy with an approximate volume percent of 0.5 to 1.8. The volume percent of the UC-UO2 inclusions within the U10Mo alloy did not change as functions of HIP temperature and time. These inclusion phases, located near the surface of the U10Mo alloy, were frequently observed to impede the development of interdiffusion and reaction between the U10Mo alloy and Zr diffusion barrier. The regions of limited interaction between the U10Mo and Zr barrier decreased with an increase in HIP temperature, however no noticeable trend was observed with an increase in HIP duration at constant temperature of 560 degrees C. (C) 2015 Elsevier Inc. All rights reserved. C1 [Park, Y.; Eriksson, N.; Sohn, Y. H.] Univ Cent Florida, Dept Mat Sci & Engn, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. [Keiser, D. D., Jr.; Jue, J. F.; Rabin, B.; Moore, G.] Idaho Natl Lab, Idaho Falls, ID 83401 USA. RP Sohn, YH (reprint author), Univ Cent Florida, Dept Mat Sci & Engn, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. EM Yongho.Sohn@ucf.edu RI Sohn, Yongho/A-8517-2010 OI Sohn, Yongho/0000-0003-3723-4743 FU U.S. Department of Energy under DOE-NE Idaho Operations Office Contract [DE-AC07-05ID14517] FX The work was supported by the U.S. Department of Energy under DOE-NE Idaho Operations Office Contract DE-AC07-05ID14517 administered by Battelle Energy Alliance, LLC. The U. S. Government retains and the publisher, by accepting the article for publication, acknowledges that the U. S. Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U.S. Government purposes. NR 37 TC 1 Z9 1 U1 2 U2 7 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-5803 EI 1873-4189 J9 MATER CHARACT JI Mater. Charact. PD MAY PY 2015 VL 103 BP 50 EP 57 DI 10.1016/j.matchar.2015.03.015 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Materials Science, Characterization & Testing SC Materials Science; Metallurgy & Metallurgical Engineering GA CL7HF UT WOS:000357142400007 ER PT J AU Franek, JB Nogami, SH Demidov, VI Koepke, ME Barnat, EV AF Franek, J. B. Nogami, S. H. Demidov, V. I. Koepke, M. E. Barnat, E. V. TI Correlating metastable-atom density, reduced electric field, and electron energy distribution in the post-transient stage of a 1-Torr argon discharge SO PLASMA SOURCES SCIENCE & TECHNOLOGY LA English DT Article DE optical emission spectroscopy (OES); 420.1-419.8 nm emission-line ratio; 1s(5) metastable argon atom; reduced electric field (E/N); electron energy distribution; time-resolved; extended corona model ID COLLISIONAL-RADIATIVE MODEL; EXCITATION; HELIUM; NEON AB Temporal measurement of electron density, metastable-atom density, and reduced electric field are used to infer the dynamic behavior of the excitation rates describing electron-atom collision-induced excitation in the positive column of a 1 Torr argon plasma by invoking plausible assumptions regarding the shape of the electron energy distribution function performed in Adams et al (2012 Phys. Plasmas 19 023510). These inferred rates are used to predict the 420.1 nm to 419.8 nm argon emission ratio, which agree with experimental results when the assumptions are applicable. Thus the observed emission ratio is demonstrated to be dependent on the metastable-atom density, electron density, and reduced electric field. The established confidence in the validity of this emission-line-ratio model allows us to predict metastable argon-atom density during the post-transient phase of the pulse as suggested by De Joseph et al (2005 Phys. Rev. E 72 036410). Similar inferences of electron density and reduced electric field based on readily available diagnostic signatures may also be afforded by this model. C1 [Franek, J. B.; Nogami, S. H.; Demidov, V. I.; Koepke, M. E.] W Virginia Univ, Morgantown, WV 26505 USA. [Demidov, V. I.] ITMO Univ, St Petersburg 197101, Russia. [Barnat, E. V.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Franek, JB (reprint author), W Virginia Univ, Morgantown, WV 26505 USA. EM jfranek@mix.wvu.edu RI Demidov, Vladimir/A-4247-2013 OI Demidov, Vladimir/0000-0002-2672-7684 FU US Department of Energy Office of Fusion Energy Sciences [DE-SC0001939]; National Research Council Research Associateship Award at AFRL; ITMO [713577] FX The authors gratefully acknowledge financial support of this work by the US Department of Energy Office of Fusion Energy Sciences (DE-SC0001939). The research of VID has also been partially supported by a National Research Council Research Associateship Award at AFRL and by ITMO Grant No. 713577. NR 31 TC 6 Z9 6 U1 3 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0963-0252 EI 1361-6595 J9 PLASMA SOURCES SCI T JI Plasma Sources Sci. Technol. PD MAY PY 2015 VL 24 IS 3 AR 034009 DI 10.1088/0963-0252/24/3/034009 PG 8 WC Physics, Fluids & Plasmas SC Physics GA CL3NX UT WOS:000356857800017 ER PT J AU Hua, X Marshall, MJ Xiong, YJ Ma, X Zhou, YF Tucker, AE Zhu, ZH Liu, SQ Yu, XY AF Hua, Xin Marshall, Matthew J. Xiong, Yijia Ma, Xiang Zhou, Yufan Tucker, Abigail E. Zhu, Zihua Liu, Songqin Yu, Xiao-Ying TI Two-dimensional and three-dimensional dynamic imaging of live biofilms in a microchannel by time-of-flight secondary ion mass spectrometry SO BIOMICROFLUIDICS LA English DT Article ID TOF-SIMS; MICROFLUIDIC DEVICE; MULTIVARIATE-ANALYSIS; SURFACES; CELLS AB A vacuum compatible microfluidic reactor, SALVI (System for Analysis at the Liquid Vacuum Interface), was employed for in situ chemical imaging of live biofilms using time-of-flight secondary ion mass spectrometry (ToF-SIMS). Depth profiling by sputtering materials in sequential layers resulted in live biofilm spatial chemical mapping. Two-dimensional (2D) images were reconstructed to report the first three-dimensional images of hydrated biofilm elucidating spatial and chemical heterogeneity. 2D image principal component analysis was conducted among biofilms at different locations in the microchannel. Our approach directly visualized spatial and chemical heterogeneity within the living biofilm by dynamic liquid ToF-SIMS. (C) 2015 AIP Publishing LLC. C1 [Hua, Xin; Liu, Songqin] Southeast Univ, Sch Chem & Chem Engn, Nanjing 211189, Jiangsu, Peoples R China. [Hua, Xin; Yu, Xiao-Ying] Pacific NW Natl Lab, Atmospher Sci & Global Climate Change Div, Richland, WA 99354 USA. [Marshall, Matthew J.; Tucker, Abigail E.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99354 USA. [Xiong, Yijia] Western Univ Hlth Sci, Coll Osteopath Med, Pacific Northwest, Lebanon, OR 97355 USA. [Ma, Xiang] Pacific NW Natl Lab, Mat Sci, Richland, WA 99354 USA. [Zhou, Yufan; Zhu, Zihua] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99354 USA. RP Liu, SQ (reprint author), Southeast Univ, Sch Chem & Chem Engn, Nanjing 211189, Jiangsu, Peoples R China. EM liusq@seu.edu.cn; xiaoying.yu@pnnl.gov RI Liu, Songqin/O-2680-2013; Zhu, Zihua/K-7652-2012; Ma, Xiang/E-4173-2013; OI Ma, Xiang/0000-0001-9427-8385; Yu, Xiao-Ying/0000-0002-9861-3109; Marshall, Matthew J/0000-0002-2402-8003 FU Chemical Imaging Initiative-Laboratory Directed Research and Development; Quick Deployment Funds of the Pacific Northwest National Laboratory (PNNL); U.S. DOE Office of Science Early Career Research Award [60385]; DOE FX We are grateful for the support from the Chemical Imaging Initiative-Laboratory Directed Research and Development and the Quick Deployment Funds of the Pacific Northwest National Laboratory (PNNL). Biofilm studies were also funded by a U.S. DOE Office of Science Early Career Research Award (60385, M.J.M.). The authors thank Dr. Daniel Graham for his suggestions on PCA analysis, Dr. Bingwen Liu and Dr. Li Yang for their assistance in SALVI fabrication, Mr. William Chrisler for CLSM imaging, Ms. Zhaoying Wang for ToF-SIMS operation, and Ms. Zhuoran Duan for MATLAB programming. The research was performed in the W. R. Wiley Environmental Molecular Sciences Laboratory, a National Scientific User Facility sponsored by the DOE and located at PNNL. PNNL is operated for DOE by Battelle. A U.S. patent (20140038224 A1) was filed by Battelle. NR 27 TC 5 Z9 5 U1 12 U2 44 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1932-1058 J9 BIOMICROFLUIDICS JI Biomicrofluidics PD MAY PY 2015 VL 9 IS 3 AR 031101 DI 10.1063/1.4919807 PG 5 WC Biochemical Research Methods; Biophysics; Nanoscience & Nanotechnology; Physics, Fluids & Plasmas SC Biochemistry & Molecular Biology; Biophysics; Science & Technology - Other Topics; Physics GA CL6PU UT WOS:000357090100001 PM 26015837 ER PT J AU Bohnenstengel, SI Belcher, SE Aiken, A Allan, JD Allen, G Bacak, A Bannan, TJ Barlow, JF Beddows, DCS Bloss, WJ Booth, AM Chemel, C Coceal, O Di Marco, CF Dubey, MK Faloon, KH Fleming, ZL Furger, M Gietl, JK Graves, RR Green, DC Grimmond, CSB Halios, CH Hamilton, JF Harrison, RM Heal, MR Heard, DE Helfter, C Herndon, SC Holmes, RE Hopkins, JR Jones, AM Kelly, FJ Kotthaus, S Langford, B Lee, JD Leigh, RJ Lewis, AC Lidster, RT Lopez-Hilfiker, FD McQuaid, JB Mohr, C Monks, PS Nemitz, E Ng, NL Percival, CJ Prevot, ASH Ricketts, HMA Sokhi, R Stone, D Thornton, JA Tremper, AH Valach, AC Visser, S Whalley, LK Williams, LR Xu, L Young, DE Zotter, P AF Bohnenstengel, S. I. Belcher, S. E. Aiken, A. Allan, J. D. Allen, G. Bacak, A. Bannan, T. J. Barlow, J. F. Beddows, D. C. S. Bloss, W. J. Booth, A. M. Chemel, C. Coceal, O. Di Marco, C. F. Dubey, M. K. Faloon, K. H. Fleming, Z. L. Furger, M. Gietl, J. K. Graves, R. R. Green, D. C. Grimmond, C. S. B. Halios, C. H. Hamilton, J. F. Harrison, R. M. Heal, M. R. Heard, D. E. Helfter, C. Herndon, S. C. Holmes, R. E. Hopkins, J. R. Jones, A. M. Kelly, F. J. Kotthaus, S. Langford, B. Lee, J. D. Leigh, R. J. Lewis, A. C. Lidster, R. T. Lopez-Hilfiker, F. D. McQuaid, J. B. Mohr, C. Monks, P. S. Nemitz, E. Ng, N. L. Percival, C. J. Prevot, A. S. H. Ricketts, H. M. A. Sokhi, R. Stone, D. Thornton, J. A. Tremper, A. H. Valach, A. C. Visser, S. Whalley, L. K. Williams, L. R. Xu, L. Young, D. E. Zotter, P. TI METEOROLOGY, AIR QUALITY, AND HEALTH IN LONDON The ClearfLo Project SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Article ID VOLATILE ORGANIC-COMPOUNDS; SURFACE-ENERGY BALANCE; BOUNDARY-LAYER; URBAN AREAS; ULTRAFINE PARTICLES; PARTICULATE MATTER; DOPPLER LIDAR; UK; POLLUTION; FLUXES AB Air quality and heat are strong health drivers, and their accurate assessment and forecast are important in densely populated urban areas. However, the sources and processes leading to high concentrations of main pollutants, such as ozone, nitrogen dioxide, and fine and coarse particulate matter, in complex urban areas are not fully understood, limiting our ability to forecast air quality accurately. This paper introduces the Clean Air for London (ClearfLo; www.clearflo.ac.uk) project's interdisciplinary approach to investigate the processes leading to poor air quality and elevated temperatures.Within ClearfLo, a large multi-institutional project funded by the U.K. Natural Environment Research Council (NERC), integrated measurements of meteorology and gaseous, and particulate composition/loading within the atmosphere of London, United Kingdom, were undertaken to understand the processes underlying poor air quality. Long-term measurement infrastructure installed at multiple levels (street and elevated), and at urban background, curbside, and rural locations were complemented with high-resolution numerical atmospheric simulations. Combining these (measurement-modeling) enhances understanding of seasonal variations in meteorology and composition together with the controlling processes. Two intensive observation periods (winter 2012 and the Summer Olympics of 2012) focus upon the vertical structure and evolution of the urban boundary layer; chemical controls on nitrogen dioxide and ozone productionin particular, the role of volatile organic compounds; and processes controlling the evolution, size, distribution, and composition of particulate matter. The paper shows that mixing heights are deeper over London than in the rural surroundings and that the seasonality of the urban boundary layer evolution controls when concentrations peak. The composition also reflects the seasonality of sources such as domestic burning and biogenic emissions. C1 [Bohnenstengel, S. I.; Belcher, S. E.; Barlow, J. F.; Grimmond, C. S. B.; Halios, C. H.; Kotthaus, S.] Univ Reading, Dept Meteorol, Reading RG6 6BB, Berks, England. [Aiken, A.; Dubey, M. K.] Los Alamos Natl Lab, Earth Syst Observat, Los Alamos, NM USA. [Allan, J. D.] Univ Manchester, Natl Ctr Atmospher Sci, Manchester, Lancs, England. [Allan, J. D.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester, Lancs, England. [Allan, J. D.; Bacak, A.; Bannan, T. J.; Booth, A. M.; Percival, C. J.; Ricketts, H. M. A.; Young, D. E.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester, Lancs, England. [Beddows, D. C. S.; Bloss, W. J.; Faloon, K. H.; Gietl, J. K.; Jones, A. M.] Univ Birmingham, Sch Geog Earth & Environm Sci, Birmingham, W Midlands, England. [Chemel, C.] Univ Hertfordshire, Natl Ctr Atmospher Sci, Hatfield AL10 9AB, Herts, England. [Coceal, O.] Univ Reading, Dept Meteorol, Natl Ctr Atmospher Sci, Reading RG6 6BB, Berks, England. [Di Marco, C. F.; Helfter, C.; Langford, B.; Nemitz, E.] Ctr Ecol & Hydrol, Penicuik, Midlothian, Scotland. [Fleming, Z. L.] Univ Leicester, Dept Chem, Leicester LE1 7RH, Leics, England. [Fleming, Z. L.] Univ Leicester, Natl Ctr Atmospher Sci, Leicester, Leics, England. [Furger, M.; Prevot, A. S. H.; Visser, S.; Zotter, P.] Paul Scherrer Inst, Lab Atmospher Chem, Villigen, Switzerland. [Graves, R. R.; Leigh, R. J.] Univ Leicester, Dept Phys & Astron, Leicester LE1 7RH, Leics, England. [Green, D. C.; Tremper, A. H.] Kings Coll London, Sch Biomed Sci, London, England. [Hamilton, J. F.; Holmes, R. E.; Lidster, R. T.] Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England. [Harrison, R. M.] King Abdulaziz Univ, Dept Environm Sci, Jeddah 21413, Saudi Arabia. [Harrison, R. M.] King Abdulaziz Univ, Ctr Excellence Environm Studies, Jeddah 21413, Saudi Arabia. [Harrison, R. M.] Univ Birmingham, Div Environm Hlth & Risk Management, Birmingham, W Midlands, England. [Harrison, R. M.] Univ Birmingham, Sch Geog Earth & Environm Sci, Birmingham, W Midlands, England. [Heal, M. R.] Univ Edinburgh, Sch Chem, Edinburgh, Midlothian, Scotland. [Heard, D. E.; Stone, D.; Whalley, L. K.] Univ Leeds, Sch Chem, Leeds LS2 9JT, W Yorkshire, England. [Herndon, S. C.] Aerodyne Res Inc, Ctr Atmospher & Environm Chem, Billerica, MA USA. [Hopkins, J. R.; Lewis, A. C.] Univ York, Natl Ctr Atmospher Sci, York YO10 5DD, N Yorkshire, England. [Kelly, F. J.] MRC, Publ Hlth England Ctr Environm & Hlth, London, England. [Kelly, F. J.] Kings Coll London, London, England. [Lee, J. D.] Univ York, Natl Ctr Atmospher Sci, York YO10 5DD, N Yorkshire, England. [Lee, J. D.] Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England. [Lopez-Hilfiker, F. D.; Mohr, C.; Thornton, J. A.] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. [McQuaid, J. B.] Univ Leeds, Sch Earth & Environm, Leeds, W Yorkshire, England. [Monks, P. S.] Univ Leicester, Dept Chem, Leicester LE1 7RH, Leics, England. [Ng, N. L.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Ng, N. L.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Sokhi, R.] Univ Hertfordshire, Ctr Atmospher & Instrumentat Res, Hatfield AL10 9AB, Herts, England. [Valach, A. C.] Univ Lancaster, Lancaster Environm Ctr, Lancaster, England. [Williams, L. R.] Aerodyne Res Inc, Ctr Aerosol & Cloud Chem, Billerica, MA USA. [Xu, L.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. RP Bohnenstengel, SI (reprint author), Univ Reading, Dept Meteorol, Earley Gate,POB 243, Reading RG6 6BB, Berks, England. EM s.i.l.d.bohnenstengel@reading.ac.uk RI Allan, James/B-1160-2010; Dubey, Manvendra/E-3949-2010; Mohr, Claudia/D-9857-2011; Prevot, Andre/C-6677-2008; Furger, Markus/C-2224-2009; Harrison, Roy/A-2256-2008; Langford, Ben/N-3072-2013; Bloss, William/N-1305-2014; Thornton, Joel/C-1142-2009; Dunmore, Rachel E/N-8273-2015; Ricketts, Hugo/D-4049-2013; Belcher, Stephen/G-2911-2011; Lewis, Alastair/A-6721-2008; Nemitz, Eiko/I-6121-2012; Monks, Paul/H-6468-2016; Green, David/L-1228-2016; Allen, Grant /A-7737-2013; Aiken, Allison/B-9659-2009; Heal, Mathew/I-3725-2012; OI Grimmond, Sue/0000-0002-3166-9415; Heard, Dwayne/0000-0002-0357-6238; Allan, James/0000-0001-6492-4876; Dubey, Manvendra/0000-0002-3492-790X; Mohr, Claudia/0000-0002-3291-9295; Prevot, Andre/0000-0002-9243-8194; Furger, Markus/0000-0003-2401-6448; Harrison, Roy/0000-0002-2684-5226; Langford, Ben/0000-0002-6968-5197; Bloss, William/0000-0002-3017-4461; Thornton, Joel/0000-0002-5098-4867; Dunmore, Rachel E/0000-0002-9114-1823; Ricketts, Hugo/0000-0002-1708-2431; Lewis, Alastair/0000-0002-4075-3651; Nemitz, Eiko/0000-0002-1765-6298; Monks, Paul/0000-0001-9984-4390; Green, David/0000-0002-0695-4660; Allen, Grant /0000-0002-7070-3620; Aiken, Allison/0000-0001-5749-7626; Heal, Mathew/0000-0001-5539-7293; Halios, Christos/0000-0001-8301-8449; percival, carl/0000-0003-2525-160X FU NERC [NE/H00324X/1, NE/I021276/1]; NERC Airborne Research and Survey Facility [GB12/09]; U.S. Department of Energy [DE-SC0006002]; SNF [200021_132467/1]; European Community [312284]; Environment Agency; NERC through the MC4 project [NE/H008136/1]; Department of Environment, Food and Rural Affairs (Defra); [NE/H003169/1]; [NE/H003150/1]; [NE/H003177/1]; [NE/H003207/1]; [NE/H003185/1]; [NE/H003223/1]; [NE/H003193/1]; [NE/H003231/1]; [NE/H003142/1] FX ClearfLo is funded by NERC under Grant NE/H00324X/1 (lead proposal) and is coordinated by NCAS. Grant references for split awards are NE/H003169/1, NE/H003150/1, NE/H003177/1, NE/H003207/1, NE/H003185/1, NE/H003223/1, NE/H00324X/1, NE/H003193/1, NE/H003231/1, and NE/H003142/1. Funding for the FAAM aircraft was provided by NERC Grant Reference NE/I021276/1. We thank the flight operations team and aircrew from NERC Airborne Research and Survey Facility for providing access to the Dornier 228 aircraft and for providing support to Project: GB12/09. Thanks go to the Chelsea and Kensington council, which granted us access to the Trellick, Dartrey, and Grenfell towers (Adrian Bowman and Kyri Eleftheriou-Vaus, Royal Borough Kensington and Chelsea). Thanks also go to Islington Borough. Thanks go to BT for supporting instrument deployment on BT Tower (Bob Semon, Wayne Loeber, Andy Beale, and Eric Anderson). We thank Steve Neville of Westminster City Council for permission to use its building as a measurement site. Thanks to John Lally for technical support throughout, and to Barbara Brooks and James Groves for technical support during the intensive observation periods. We thank the Sion Manning School and the adjacent community center. We thank Dr. Paul Smith and Lukas Pauscher for putting in the BLS, LAS, and ceilometers and communications infrastructure on the towers. We thank Roger Moore and his staff at the Kent Showground, Detling, for help with installing and operating the Detling winter IOP site. We acknowledge the participation of the following in the winter IOP measurements at Detling: John Jayne, Andrew Freedman, William Brooks, Jonathan Franklin, Paola Massoli, Edward Fortner, Puneet Chhabra, Mark Zahnizer, Harald Stark, and Douglas Worsnop (Aerodyne Research, Inc.); W. Berk Knighton (Montana State University); Kyle Gorkowski (Los Alamos National Laboratory, United States); and Timothy Martin and Richard Coulter (Argonne National Laboratory, United States). Funding for the Kent Showground deployment was provided in part by U.S. Department of Energy, Award DE-SC0006002. Thanks to the British Atmospheric Data Centre (BADC) for hosting our data. We acknowledge funding from the SNF (Grant 200021_132467/1) and the European Community's Seventh Framework Programme (FP7/2007-2013, Grant 312284). Thanks to the Met Office for use of the NAME model and for providing AQUM simulations and forecast data from the UKV, in particular Lucy Davis, Paul Agnew, and Humphrey Lean. We thank Carl Percival (University of Manchester) and Christine Braban (Centre for Ecology and Hydrology). We thank Philip Naysmith and Gordon Cook (SUERC) for undertaking carbon-14 analyses on samples from North Kensington. The methodology for conducting air quality and meteorology predictions with the WRF-CMAQ modeling system by the University of Hertfordshire was partly based on that developed in CREMO (project funded by the Environment Agency), MEGAPOLI (FP7 project), and TRANSPHORM (FP7 project). We thank Noel Clancy and Trevor Ingham (University of Leeds) for the technical assistance. The aerosol measurements received additional support through NERC through the MC4 project (Grant Reference NE/H008136/1) and the Department of Environment, Food and Rural Affairs (Defra). We thank the Royal Geographical Society with IBG for housing a ceilometer.; We thank Alex Bjorkegren, Grace Healey, William Morrison, John Mustchin, and Lukas Pauscher (King's College London), who fixed the equipment operated by KCL Geography and with numerous other students checked things 365 days a year for the entire ClearfLo period. NR 76 TC 27 Z9 27 U1 19 U2 75 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 MAY PY 2015 VL 96 IS 5 BP 779 EP 804 DI 10.1175/BAMS-D-12-00245.1 PG 26 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CL3SI UT WOS:000356870400002 ER PT J AU Malmerberg, E Kerfeld, CA Zwart, PH AF Malmerberg, Erik Kerfeld, Cheryl A. Zwart, Petrus H. TI Operational properties of fluctuation X-ray scattering data SO IUCRJ LA English DT Article DE fluctuation X-ray scattering; XFELS; biological molecules; nanoparticles; mesoscopic materials ID FREE-ELECTRON LASER; STRUCTURAL DYNAMICS; PARTICLES; ORDER AB X-ray scattering images collected on timescales shorter than rotation diffusion times using a (partially) coherent beam result in a significant increase in information content in the scattered data. These measurements, named fluctuation X-ray scattering (FXS), are typically performed on an X-ray free-electron laser (XFEL) and can provide fundamental insights into the structure of biological molecules, engineered nanoparticles or energy-related mesoscopic materials beyond what can be obtained with standard X-ray scattering techniques. In order to understand, use and validate experimental FXS data, the availability of basic data characteristics and operational properties is essential, but has been absent up to this point. In this communication, an intuitive view of the nature of FXS data and their properties is provided, the effect of FXS data on the derived structural models is highlighted, and generalizations of the Guinier and Porod laws that can ultimately be used to plan experiments and assess the quality of experimental data are presented. C1 [Malmerberg, Erik; Kerfeld, Cheryl A.; Zwart, Petrus H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Malmerberg, Erik; Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA USA. [Kerfeld, Cheryl A.] Michigan State Univ, DOE Plant Res Lab, E Lansing, MI 48824 USA. RP Zwart, PH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM phzwart@lbl.gov FU National Science Foundation [1240590]; National Institute of General Medical Sciences of the National Institutes of Health [R01GM109019] FX This material is based upon work partly supported by the National Science Foundation under grant No. 1240590. Further support originates from the National Institute of General Medical Sciences of the National Institutes of Health under Award No. R01GM109019. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. The authors thank Dr Howard Padmore for feedback and discussions. NR 44 TC 5 Z9 5 U1 2 U2 14 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-2525 J9 IUCRJ JI IUCrJ PD MAY PY 2015 VL 2 BP 309 EP 316 DI 10.1107/S2052252515002535 PN 3 PG 8 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CL3RB UT WOS:000356866900003 PM 25995839 ER PT J AU Dejoie, C Smeets, S Baerlocher, C Tamura, N Pattison, P Abela, R McCusker, LB AF Dejoie, Catherine Smeets, Stef Baerlocher, Christian Tamura, Nobumichi Pattison, Philip Abela, Rafael McCusker, Lynne B. TI Serial snapshot crystallography for materials science with SwissFEL SO IUCRJ LA English DT Article DE serial snapshot crystallography; multi-microcrystal diffraction; indexing; broad-bandpass beam; XFEL ID X-RAY-DIFFRACTION; LAUE DIFFRACTION; CRYSTAL-STRUCTURE; FEMTOSECOND CRYSTALLOGRAPHY; MICROCRYSTAL; INTEGRATION; ALGORITHMS; RADIATION; PATTERNS; LASER AB New opportunities for studying (sub) microcrystalline materials with small unit cells, both organic and inorganic, will open up when the X-ray free electron laser (XFEL) presently being constructed in Switzerland (SwissFEL) comes online in 2017. Our synchrotron-based experiments mimicking the 4%-energy-bandpass mode of the SwissFEL beam show that it will be possible to record a diffraction pattern of up to 10 randomly oriented crystals in a single snapshot, to index the resulting reflections, and to extract their intensities reliably. The crystals are destroyed with each XFEL pulse, but by combining snapshots from several sets of crystals, a complete set of data can be assembled, and crystal structures of materials that are difficult to analyze otherwise will become accessible. Even with a single shot, at least a partial analysis of the crystal structure will be possible, and with 10-50 femtosecond pulses, this offers tantalizing possibilities for time-resolved studies. C1 [Dejoie, Catherine; Smeets, Stef; Baerlocher, Christian; McCusker, Lynne B.] ETH, Crystallog Lab, CH-8093 Zurich, Switzerland. [Tamura, Nobumichi] Lawrence Berkeley Natl Lab, Adv Photon Source, Berkeley, CA 94720 USA. [Pattison, Philip] European Synchrotron Radiat Facil, Swiss Norwegian Beamlines, F-38042 Grenoble, France. [Pattison, Philip] Ecole Polytech Fed Lausanne, Crystallog Lab, CH-1015 Lausanne, Switzerland. [Abela, Rafael] Paul Scherrer Inst, SwissFEL, CH-5232 Villigen, Switzerland. RP Dejoie, C (reprint author), ETH, Crystallog Lab, Vladimir Prelog Weg 5, CH-8093 Zurich, Switzerland. EM c.dejoie@mat.ethz.ch OI Smeets, Stef/0000-0002-5413-9038 FU Swiss National Science Foundation; Chevron ETC; Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the US Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; University of California, Berkeley, California FX We thank the SNX Council of SNBL for granting us beamtime to perform the experiment. Funding from the Swiss National Science Foundation and Chevron ETC is gratefully acknowledged. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the US Department of Energy under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory and University of California, Berkeley, California. NR 53 TC 3 Z9 3 U1 5 U2 18 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-2525 J9 IUCRJ JI IUCrJ PD MAY PY 2015 VL 2 BP 361 EP 370 DI 10.1107/S2052252515006740 PN 3 PG 10 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CL3RB UT WOS:000356866900009 PM 25995845 ER PT J AU Rougier, E Patton, HJ AF Rougier, Esteban Patton, Howard J. TI Seismic source functions from free-field ground motions recorded on SPE: Implications for source models of small, shallow explosions SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article DE chemical explosions; seismic source functions; source models ID UNDERGROUND NUCLEAR DETONATIONS; NEVADA TEST-SITE; P-WAVE SPECTRA; CHEMICAL EXPLOSIONS; MESA AB Reduced displacement potentials (RDPs) for chemical explosions of the Source Physics Experiments (SPE) in granite at the Nevada Nuclear Security Site are estimated from free-field ground motion recordings. Far-field P wave source functions are proportional to the time derivative of RDPs. Frequency domain comparisons between measured source functions and model predictions show that high-frequency amplitudes roll off as (-2), but models fail to predict the observed seismic moment, corner frequency, and spectral overshoot. All three features are fit satisfactorily for the SPE-2 test after cavity radius R-c is reduced by 12%, elastic radius is reduced by 58%, and peak-to-static pressure ratio on the elastic radius is increased by 100%, all with respect to the Mueller-Murphy model modified with the Denny-Johnson R-c scaling law. A large discrepancy is found between the cavity volume inferred from RDPs and the volume estimated from laser scans of the emplacement hole. The measurements imply a scaled R-c of similar to 5m/kt(1/3), more than a factor of 2 smaller than nuclear explosions. Less than 25% of the seismic moment can be attributed to cavity formation. A breakdown of the incompressibility assumption due to shear dilatancy of the source medium around the cavity is the likely explanation. New formulas are developed for volume changes due to medium bulking (or compaction). A 0.04% decrease of average density inside the elastic radius accounts for the missing volumetric moment. Assuming incompressibility, established R-c scaling laws predicted the moment reasonable well, but it was only fortuitous because dilation of the source medium compensated for the small cavity volume. C1 [Rougier, Esteban; Patton, Howard J.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Rougier, E (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM erougier@lanl.gov RI Rougier, Esteban/C-9946-2015 OI Rougier, Esteban/0000-0002-4624-2844 FU Los Alamos National Laboratory [DE-AC52-06NA25946] FX We thank Margaret Townsend of NSTec for providing copies of downhole camera runs after SPE-2 and SPE-3 and for providing a three-dimensional PDF of the laser scan data. We also thank David Yang for providing the results of moment tensor inversions shown in Figure 6. Scott Broome of Sandia Lab provided the photos of core boxes shown in Figure 11. The graphic arts department of NSTec provided the schematic shown in Figure 1a. We thank David Yang and Catherine Snelson of Los Alamos Lab for reviewing the draft manuscript and providing technical feedback. We benefitted from helpful and informative discussions with Margaret Townsend, Catherine Snelson, and Jennifer Wilson of Los Alamos National Laboratory. The Source Physics Experiments (SPE) would not have been possible without the support of many people from several organizations. The authors wish to express their gratitude to the National Nuclear Security Administration, Defense Nuclear Nonproliferation Research and Development (DNN R&D), and the SPE working group, a multi-institutional and interdisciplinary group of scientists and engineers. This work was conducted by Los Alamos National Laboratory under award DE-AC52-06NA25946. The data utilized in this paper can be found in the following links: SPE-1: http://www.iris.washington.edu/pipermail/bulkmail/2014-April/002302.html and http://www.osti.gov/scitech/servlets/purl/1129568 (Appendix 5) and SPE-2 and SPE-3: http://ds.iris.edu/data/reports/2014/14-067/SPE2-3.DataReport.DOE-NV-259 46.2282.pdf. Upon request, the authors can provide the data presented in "Implications for Chemical/Nuclear Equivalence from Observations and Hydrodynamic Calculations." Patton, H.J. and Rougier, E., 2014 Annual Meeting of the Seismological Society of America. NR 43 TC 8 Z9 8 U1 0 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9313 EI 2169-9356 J9 J GEOPHYS RES-SOL EA JI J. Geophys. Res.-Solid Earth PD MAY PY 2015 VL 120 IS 5 BP 3459 EP 3478 DI 10.1002/2014JB011773 PG 20 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CK7YV UT WOS:000356454500034 ER PT J AU Cao, L Hunter, A Beyerlein, IJ Koslowski, M AF Cao, Lei Hunter, Abigail Beyerlein, Irene J. Koslowski, Marisol TI The role of partial mediated slip during quasi-static deformation of 3D nanocrystalline metals SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE Phase Field model; Partial dislocations; Stacking fault; Polycrystalline materials; Plasticity ID MOLECULAR-DYNAMICS SIMULATION; DISLOCATION DYNAMICS; PLASTIC-DEFORMATION; FCC CRYSTALS; FIELD MODEL; NICKEL; MECHANISM; STRENGTH; AL AB We present dislocation simulations involving the collective behavior of partials and extended full dislocations in nanocrystalline materials. While atomistic simulations have shown the importance of including partial dislocations in high strain rate simulations, the behavior of partial dislocations in complex geometries with lower strain rates has not been explored. To account for the dissociation of dislocations into partials we include the full representation of the gamma surface for two materials: Ni and Al. During loading, dislocation loops are emitted from grain boundaries and expand into the grain interiors to carry the strain. In agreement with high strain rate simulations we find that Al has a higher density of extended full dislocations with smaller stacking fault widths than Ni. We also observe that configurations with smaller average grain size have a higher density of partial dislocations, but contrary to simplified analytical models we do not find a critical grain size below which there is only partial dislocation-mediated deformation. Our results show that the density of partial dislocations is stable in agreement with in situ X-ray experiments that show no increase of the stacking fault density in deformed nanocrystalline Ni (Budrovic et al., 2004). Furthermore, the ratio between partial and extended full dislocation contribution to strain varies with the amount of deformation. The contribution of extended full dislocations to strain grows beyond the contribution of partial dislocations as the deformation proceeds, suggesting that there is no well-defined transition from full dislocation- to partial dislocation-mediated plasticity based uniquely on the grain size. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Cao, Lei; Koslowski, Marisol] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. [Hunter, Abigail] Los Alamos Natl Lab, X Computat Div, Los Alamos, NM 87545 USA. [Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Koslowski, M (reprint author), Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. EM marisol@purdue.edu RI Cao, Lei/L-1049-2015 OI Cao, Lei/0000-0002-2040-6396 FU United States Department of Energy Office of Basic Energy Science(US DOE-BES) [DE-FG02-07ER46398] FX This work was performed with support from the United States Department of Energy Office of Basic Energy Science(US DOE-BES) under Contract no. DE-FG02-07ER46398. We would like to thank Prof. Strachan and Dr. H. Kim for providing us atomistic descriptions of the grain structures used in this paper. NR 39 TC 7 Z9 7 U1 1 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-5096 EI 1873-4782 J9 J MECH PHYS SOLIDS JI J. Mech. Phys. Solids PD MAY PY 2015 VL 78 BP 415 EP 426 DI 10.1016/j.jmps.2015.02.019 PG 12 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA CL1VT UT WOS:000356733700022 ER PT J AU Hickmann, KS Fairchild, G Priedhorsky, R Generous, N Hyman, JM Deshpande, A Del Valle, SY AF Hickmann, Kyle S. Fairchild, Geoffrey Priedhorsky, Reid Generous, Nicholas Hyman, James M. Deshpande, Alina Del Valle, Sara Y. TI Forecasting the 2013-2014 Influenza Season Using Wikipedia SO PLOS COMPUTATIONAL BIOLOGY LA English DT Article ID DATA ASSIMILATION; PANDEMIC INFLUENZA; KALMAN FILTER; EPIDEMIC; DYNAMICS; MODELS; INFECTION; OUTBREAKS; SPREAD AB 3 Infectious diseases are one of the leading causes of morbidity and mortality around the world; thus, forecasting their impact is crucial for planning an effective response strategy. According to the Centers for Disease Control and Prevention (CDC), seasonal influenza affects 5% to 20% of the U.S. population and causes major economic impacts resulting from hospitalization and absenteeism. Understanding influenza dynamics and forecasting its impact is fundamental for developing prevention and mitigation strategies. We combine modern data assimilation methods with Wikipedia access logs and CDC influenza-like illness (ILI) reports to create a weekly forecast for seasonal influenza. The methods are applied to the 2013-2014 influenza season but are sufficiently general to forecast any disease outbreak, given incidence or case count data. We adjust the initialization and parametrization of a disease model and show that this allows us to determine systematic model bias. In addition, we provide a way to determine where the model diverges from observation and evaluate forecast accuracy. Wikipedia article access logs are shown to be highly correlated with historical ILI records and allow for accurate prediction of ILI data several weeks before it becomes available. The results show that prior to the peak of the flu season, our forecasting method produced 50% and 95% credible intervals for the 2013-2014 ILI observations that contained the actual observations for most weeks in the forecast. However, since our model does not account for re-infection or multiple strains of influenza, the tail of the epidemic is not predicted well after the peak of flu season has passed. C1 [Hickmann, Kyle S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. [Fairchild, Geoffrey; Generous, Nicholas; Deshpande, Alina; Del Valle, Sara Y.] Los Alamos Natl Lab, Def Syst Anal Div, Los Alamos, NM USA. [Priedhorsky, Reid] Los Alamos Natl Lab, High Performance Comp Div, Los Alamos, NM USA. [Hyman, James M.] Tulane Univ, Dept Math, New Orleans, LA 70118 USA. RP Hickmann, KS (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. EM hickmank@lanl.gov FU NIH/NIGMS/MIDAS [U01-GM097658-01]; Defense Threat Reduction Agency (DTRA); Department of Energy [DE-AC52-06NA25396] FX This work is supported in part by NIH/NIGMS/MIDAS under grant U01-GM097658-01 and the Defense Threat Reduction Agency (DTRA). Wikipedia data collected using QUAC: this functionality was supported by the U.S. Department of Energy through the LANL LDRD Program. LANL is operated by Los Alamos National Security, LLC for the Department of Energy under contract DE-AC52-06NA25396. Approved for public release: LA-UR-14-27259. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 63 TC 8 Z9 8 U1 1 U2 11 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 MAY PY 2015 VL 11 IS 5 AR e1004239 DI 10.1371/journal.pcbi.1004239 PG 29 WC Biochemical Research Methods; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA CL1KA UT WOS:000356700200023 PM 25974758 ER PT J AU Nair, HS Fu, Z Kumar, CMN Pomjakushin, VY Xiao, Y Chatterji, T Strydom, AM AF Nair, Harikrishnan S. Fu, Zhendong Kumar, C. M. N. Pomjakushin, V. Y. Xiao, Yinguo Chatterji, Tapan Strydom, Andre M. TI Spin-lattice coupling and frustrated magnetism in Fe-doped hexagonal LuMnO3 SO EPL LA English DT Article ID NEUTRON POWDER DIFFRACTION; MANGANITES; CRYSTAL; YMNO3 AB Strong spin-lattice coupling and prominent frustration effects observed in the 50% Fe-doped frustrated hexagonal (h)LuMnO3 are reported. A Neel transition at T-N approximate to 112 K and a possible spin re-orientation transition at T-SR approximate to 55 K are observed in the magnetization data. From neutron powder diffraction data, the nuclear structure at and below 300 K was refined in polar P6(3)cm space group. While the magnetic structure of LuMnO3 belongs to the Gamma(4) (P6(3)'c'm) representation, that of LuFe0.5Mn0.5O3 belongs to Gamma(1) (P6(3)cm) which is supported by the strong intensity for the (100) reflection and also judging by the presence of spin-lattice coupling. The refined atomic positions for Lu and Mn/Fe indicate significant atomic displacements at T-N and T-SR which confirms strong spin-lattice coupling. Our results complement the discovery of room temperature multiferroicity in thin films of hLuFeO(3) and would give impetus to study LuFe1-xMnxO3 systems as potential multiferroics where electric polarization is linked to giant atomic displacements. Copyright (C) EPLA, 2015 C1 [Nair, Harikrishnan S.; Strydom, Andre M.] Univ Johannesburg, Dept Phys, Highly Correlated Matter Res Grp, ZA-2006 Auckland Pk, South Africa. [Fu, Zhendong] Forschungszentrum Julich, JCNS, Outstat MLZ, D-85747 Garching, Germany. [Kumar, C. M. N.] JCNS, Outstat SNS, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Kumar, C. M. N.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Pomjakushin, V. Y.] Paul Scherrer Inst, Neutron Scattering Lab, CH-5232 Villigen, Switzerland. [Xiao, Yinguo] Forschungszentrum Julich, JCNS, D-52425 Julich, Germany. [Xiao, Yinguo] Forschungszentrum Julich, PGI, JARA FIT, D-52425 Julich, Germany. [Chatterji, Tapan] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. [Strydom, Andre M.] Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany. RP Nair, HS (reprint author), Univ Johannesburg, Dept Phys, Highly Correlated Matter Res Grp, POB 524, ZA-2006 Auckland Pk, South Africa. RI Pomjakushin, Vladimir/J-6259-2014; Xiao, Yinguo/N-9069-2015; Fu, Zhendong/P-2278-2016; OI Pomjakushin, Vladimir/0000-0003-2180-8730; Fu, Zhendong/0000-0002-8819-5054; Chogondahalli Muniraju, Naveen Kumar/0000-0002-8867-8291 FU SA-NRF [93549]; FRC/URC of UJ; FRC/URC FX AMS thanks the SA-NRF (93549) and the FRC/URC of UJ for financial assistance. HSN acknowledges FRC/URC for a postdoctoral fellowship. HSN wishes to thank YIXI SU for suggesting this compound. NR 28 TC 3 Z9 3 U1 1 U2 34 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 EI 1286-4854 J9 EPL-EUROPHYS LETT JI EPL PD MAY PY 2015 VL 110 IS 3 AR 37007 DI 10.1209/0295-5075/110/37007 PG 6 WC Physics, Multidisciplinary SC Physics GA CL0DO UT WOS:000356609500023 ER PT J AU Yi, X Sand, AE Mason, DR Kirk, MA Roberts, SG Nordlund, K Dudarev, SL AF Yi, X. Sand, A. E. Mason, D. R. Kirk, M. A. Roberts, S. G. Nordlund, K. Dudarev, S. L. TI Direct observation of size scaling and elastic interaction between nano-scale defects in collision cascades SO EPL LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; ION-IRRADIATED TUNGSTEN; DISLOCATION LOOPS; DAMAGE; ENERGY; RANGE AB Using in situ transmission electron microscopy, we have directly observed nano-scale defects formed in ultra-high-purity tungsten by low-dose high-energy self-ion irradiation at 30K. At cryogenic temperature lattice defects have reduced mobility, so these microscope observations offer a window on the initial, primary damage caused by individual collision cascade events. Electron microscope images provide direct evidence for a power-law size distribution of nanoscale defects formed in high-energy cascades, with an upper size limit independent of the incident ion energy, as predicted by Sand et al. (EPL, 103 (2013) 46003). Furthermore, the analysis of pair distribution functions of defects observed in the micrographs shows significant intra-cascade spatial correlations consistent with strong elastic interaction between the defects. Copyright (C) EPLA, 2015 C1 [Yi, X.; Roberts, S. G.; Dudarev, S. L.] Univ Oxford, Dept Mat, Oxford OX1 3PH, England. [Yi, X.; Mason, D. R.; Roberts, S. G.; Dudarev, S. L.] CCFE, Abingdon OX14 3DB, Oxon, England. [Sand, A. E.; Nordlund, K.] Univ Helsinki, Dept Phys, FI-00014 Helsinki, Finland. [Kirk, M. A.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Yi, X (reprint author), Univ Oxford, Dept Mat, Parks Rd, Oxford OX1 3PH, England. OI Roberts, Steve/0000-0002-3578-2183; Sand, Andrea/0000-0001-9041-1468; Nordlund, Kai/0000-0001-6244-1942 NR 31 TC 9 Z9 9 U1 1 U2 14 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 EI 1286-4854 J9 EPL-EUROPHYS LETT JI EPL PD MAY PY 2015 VL 110 IS 3 AR 36001 DI 10.1209/0295-5075/110/36001 PG 6 WC Physics, Multidisciplinary SC Physics GA CL0DO UT WOS:000356609500013 ER PT J AU Ge, JC Everett, ME Weiss, CJ AF Ge, Jianchao Everett, Mark E. Weiss, Chester J. TI Fractional diffusion analysis of the electromagnetic field in fractured media - Part 2: 3D approach SO GEOPHYSICS LA English DT Article ID TRANSPORT; EXPLORATION; STABILITY; ACCURACY; SYSTEMS AB We have proposed a 3D finite-difference (FD) approach to discretize the frequency-domain fractional-derivative Max-well equation on a staggered grid. The Maxwell equation was reformulated to include a fractional-order time derivative that described multiscale electromagnetic (EM) induction in fractured formations exhibiting a fractal geometry. The roughness beta that appeared in the theory described the falloff of the power spectrum of the heterogeneity of a subsurface region in the wavenumber domain, disclosing the geologic model structure in an explicit way. The fractional-derivative Maxwell equation was transformed into the frequency domain and solved by the FD method. To further probe the controlled-source EM response of a power law length-scale distribution of natural fractures, a stochastic random medium model was generated using the von Karman correlation function. The usual deterministic EM response to such a fractured block model was fitted by a zero-beta fractional EM response at multiple frequencies, indicating that the von-Karman-type fractured model response is classical. This confirmed the expectation that a fractional diffusion EM response was not reproduced by piecewise constant models based on the classical Maxwell equation. C1 [Ge, Jianchao] Halliburton, Houston, TX 77072 USA. [Everett, Mark E.] Texas A&M Univ, Dept Geol & Geophys, College Stn, TX USA. [Weiss, Chester J.] Univ New Mexico, Dept Earth & Planetary Sci, Albuquerque, NM 87131 USA. [Weiss, Chester J.] Sandia Natl Labs, Dept Geophys & Atmospher Sci, Albuquerque, NM 87185 USA. RP Ge, JC (reprint author), Halliburton, Houston, TX 77072 USA. EM jianchaoge@gmail.com; mark.e.everett@gmail.com; cjweiss@unm.edu FU National Science Foundation [EAR-0943589, EAR-0943538]; BP; Marathon; Kelly Oil FX The authors would like to thank the National Science Foundation under grant nos. EAR-0943589 and EAR-0943538, and J. Ge. would like to thank BP, Marathon, and Kelly Oil for their generous support. NR 45 TC 2 Z9 2 U1 1 U2 3 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 0016-8033 EI 1942-2156 J9 GEOPHYSICS JI Geophysics PD MAY-JUN PY 2015 VL 80 IS 3 BP E175 EP E185 DI 10.1190/GEO2014-0333.1 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CK6UR UT WOS:000356364300019 ER PT J AU Davis, P Syme, J Heikoop, J Fessenden-Rahn, J Perkins, G Newman, B Chrystal, AE Hagerty, SB AF Davis, Paul Syme, James Heikoop, Jeffrey Fessenden-Rahn, Julianna Perkins, George Newman, Brent Chrystal, Abbey E. Hagerty, Shannon B. TI Quantifying uncertainty in stable isotope mixing models SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article DE stable isotopes; mixing models; uncertainty; hydrology; food web ID NITRATE SOURCES; FRESH-WATER; SOURCE IDENTIFICATION; DENITRIFIER METHOD; REGIONAL PATTERNS; PRIOR INFORMATION; NITROGEN; OXYGEN; GROUNDWATER; RIVER AB Mixing models are powerful tools for identifying biogeochemical sources and determining mixing fractions in a sample. However, identification of actual source contributors is often not simple, and source compositions typically vary or even overlap, significantly increasing model uncertainty in calculated mixing fractions. This study compares three probabilistic methods, Stable Isotope Analysis in R (SIAR), a pure Monte Carlo technique (PMC), and Stable Isotope Reference Source (SIRS) mixing model, a new technique that estimates mixing in systems with more than three sources and/or uncertain source compositions. In this paper, we use nitrate stable isotope examples (N-15 and O-18) but all methods tested are applicable to other tracers. In Phase I of a three-phase blind test, we compared methods for a set of six-source nitrate problems. PMC was unable to find solutions for two of the target water samples. The Bayesian method, SIAR, experienced anchoring problems, and SIRS calculated mixing fractions that most closely approximated the known mixing fractions. For that reason, SIRS was the only approach used in the next phase of testing. In Phase II, the problem was broadened where any subset of the six sources could be a possible solution to the mixing problem. Results showed a high rate of Type I errors where solutions included sources that were not contributing to the sample. In Phase III some sources were eliminated based on assumed site knowledge and assumed nitrate concentrations, substantially reduced mixing fraction uncertainties and lowered the Type I error rate. These results demonstrate that valuable insights into stable isotope mixing problems result from probabilistic mixing model approaches like SIRS. The results also emphasize the importance of identifying a minimal set of potential sources and quantifying uncertainties in source isotopic composition as well as demonstrating the value of additional information in reducing the uncertainty in calculated mixing fractions. C1 [Davis, Paul; Syme, James] EnviroLogic Inc, Durango, CO 81301 USA. [Heikoop, Jeffrey; Fessenden-Rahn, Julianna; Perkins, George; Newman, Brent; Chrystal, Abbey E.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM USA. [Hagerty, Shannon B.] Univ Calif Santa Barbara, Dept Ecol Evolut & Marine Biol, Santa Barbara, CA 93106 USA. RP Davis, P (reprint author), EnviroLogic Inc, Durango, CO 81301 USA. EM p_davis@envirologicinc.com RI Heikoop, Jeffrey/C-1163-2011; OI Heikoop, Jeffrey/0000-0001-7648-3385 NR 82 TC 1 Z9 1 U1 10 U2 66 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 MAY PY 2015 VL 120 IS 5 BP 903 EP 923 DI 10.1002/2014JG002839 PG 21 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA CK8XI UT WOS:000356523000007 ER PT J AU Feller, E Ramakrishnan, L Morin, C AF Feller, Eugen Ramakrishnan, Lavanya Morin, Christine TI Performance and energy efficiency of big data applications in cloud environments: A Hadoop case study SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING LA English DT Article DE Cloud computing; Hadoop MapReduce; Performance; Energy efficiency; Virtualization ID MAPREDUCE AB The exponential growth of scientific and business data has resulted in the evolution of the cloud computing environments and the MapReduce parallel programming model. The focus of cloud computing is increased utilization and power savings through consolidation while MapReduce enables large scale data analysis. Hadoop, an open source implementation of MapReduce has gained popularity in the last few years. In this paper, we evaluate Hadoop performance in both the traditional model of collocated data and compute services as well as consider the impact of separating out the services. The separation of data and compute services provides more flexibility in environments where data locality might not have a considerable impact such as virtualized environments and clusters with advanced networks. In this paper, we also conduct an energy efficiency evaluation of Hadoop on physical and virtual clusters in different configurations. Our extensive evaluation shows that: (1) coexisting virtual machines on servers decrease the disk throughput; (2) performance on physical clusters is significantly better than on virtual clusters; (3) performance degradation due to separation of the services depends on the data to compute ratio; (4) application completion progress correlates with the power consumption and power consumption is heavily application specific. Finally, we present a discussion on the implications of using cloud environments for big data analyses. (C) 2015 Elsevier Inc. All rights reserved. C1 [Feller, Eugen; Ramakrishnan, Lavanya; Morin, Christine] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Feller, Eugen; Morin, Christine] Inria Rennes Bretagne Atlantique, F-35042 Rennes, France. RP Feller, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM eugen.feller@gmail.com; lramakrishnan@lbl.gov; christine.morin@inria.fr FU Office of Science, Office of Advanced Scientific Computing Research (ASCR) of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was done in the context of the Inria DALHIS associate team, a collaboration between the Inria Myriads project-team and the LBNL's Advanced Computing for Science Department. This work was also funded by the Office of Science, Office of Advanced Scientific Computing Research (ASCR) of the U.S. Department of Energy under Contract Number DE-AC02-05CH11231. The experiments presented in this paper were carried out using the Grid'5000 testbed, being developed under the Inria ALADDIN development action with support from CNRS, RENATER and several Universities as well as other funding bodies (see https://www.grid5000.fr). NR 22 TC 9 Z9 9 U1 5 U2 27 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0743-7315 EI 1096-0848 J9 J PARALLEL DISTR COM JI J. Parallel Distrib. Comput. PD MAY PY 2015 VL 79-80 SI SI BP 80 EP 89 DI 10.1016/j.jpdc.2015.01.001 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA CK4JF UT WOS:000356189400008 ER PT J AU Jung, ES Kettimuthu, R Vishwanath, V AF Jung, Eun-Sung Kettimuthu, Rajkumar Vishwanath, Venkatram TI Cluster-to-cluster data transfer with data compression over wide-area networks SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING LA English DT Article DE Disk-to-disk data transfer; System modeling; Optimization; High-speed networks AB The recent emergence of ultra high-speed networks up to 100 Gb/s has posed numerous challenges and has led to many investigations on efficient protocols to saturate 100 Gb/s links. However, end-to-end data transfers involve many components, not only protocols, affecting overall transfer performance. These components include disk I/O subsystem, additional computation associated with data streams, and network adapters. For example, achievable bandwidth by TCP may not be implementable if disk I/O or CPU becomes a bottleneck in end-to-end data transfer. In this paper, we first model all the system components involved in end-to-end data transfer as a graph. We then formulate the problem whose goal is to achieve maximum data transfer throughput using parallel data flows. We also propose a variable data flow GridFFP XIO stack to improve data transfer with data compression. Our contributions lie in how to optimize data transfers considering all the system components involved rather than in accurately modeling all the system components involved. Our proposed formulations and solutions are evaluated through experiments on the ESnet 100G testbed and a wide-area cluster-to-cluster testbed. The experimental results on the ESnet 100G testbed show that our approach is several times faster than Globus Online-8 x faster for datasets with many 10 MB files and 3-4 x faster for other datasets of larger size files. The experimental results on the cluster-to-cluster testbed show that our variable data flow approach is up to 4 x faster than a normal cluster data transfer. (C) 2014 Elsevier Inc. All rights reserved. C1 [Jung, Eun-Sung; Kettimuthu, Rajkumar; Vishwanath, Venkatram] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Jung, ES (reprint author), Argonne Natl Lab, Math & Comp Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM esjung@mcs.anl.gov; kettimut@mcs.anl.gov; venkatv@mcs.anl.gov FU US Department of Energy, Office of Science, Advanced Scientific Computing Research [DE-AC02-06CH11357] FX This work was supported by the US Department of Energy, Office of Science, Advanced Scientific Computing Research, under Contract DE-AC02-06CH11357. NR 21 TC 0 Z9 0 U1 0 U2 0 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0743-7315 EI 1096-0848 J9 J PARALLEL DISTR COM JI J. Parallel Distrib. Comput. PD MAY PY 2015 VL 79-80 SI SI BP 90 EP 103 DI 10.1016/j.jpdc.2014.09.008 PG 14 WC Computer Science, Theory & Methods SC Computer Science GA CK4JF UT WOS:000356189400009 ER PT J AU Lugowski, A Kamil, S Buluc, A Williams, S Duriakova, E Oliker, L Fox, A Gilbert, JR AF Lugowski, Adam Kamil, Shoaib Buluc, Aydin Williams, Samuel Duriakova, Erika Oliker, Leonid Fox, Armando Gilbert, John R. TI Parallel processing of filtered queries in attributed semantic graphs SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING LA English DT Article DE Graph analysis systems; Attributed semantic graphs; Graph filtering; Parallel computing; Knowledge discovery; Domain-specific languages; SEJITS; High-performance graph analysis ID IMPLEMENTATION; DESIGN AB Execution of complex analytic queries on massive semantic graphs is a challenging problem in big-data analytics that requires high-performance parallel computing. In a semantic graph, vertices and edges carry attributes of various types and the analytic queries typically depend on the values of these attributes. Thus, the computation must view the graph through a filter that passes only those individual vertices and edges of interest. Previous investigations have developed Knowledge Discovery Toolbox (KDT), a sophisticated Python library for parallel graph computations. In KDT, the user can write custom graph algorithms by specifying operations between edges and vertices (semiring operations). The user can also customize existing graph algorithms by writing filters. Although the high-level language for this customization enables domain scientists to productively express their graph analytics requirements, the customized queries perform poorly due to the overhead of having to call into the Python virtual machine for each vertex and edge. In this work, we use the Selective Embedded Just-In-Time Specialization (SEJITS) approach to automatically translate semiring operations and filters defined by programmers into a lower-level efficiency language, bypassing the upcall into Python. We evaluate our approach by comparing it with the high-performance Combinatorial BIAS engine and show that our approach combines the benefits of programming in a high-level language with executing in a low-level parallel environment. We increase the system's flexibility by developing techniques that provide users with the ability to define new vertex and edge types from Python. We also present a new Roofline model for graph traversals and show that we achieve performance that is significantly closer to the bounds suggested by the Roofline. Finally, to further understand the complex interaction with the underlying architecture, we present an analysis using performance counters that quantifies the improvement in hardware behavior in the context our SEJITS methodology. Overall, we demonstrate the first known solution to the problem of obtaining high performance from a productivity language when applying graph algorithms selectively on semantic graphs with hundreds of millions of edges and scaling to thousands of processors for graphs. (C) 2014 Elsevier Inc. All rights reserved. C1 [Lugowski, Adam; Gilbert, John R.] Univ Calif Santa Barbara, Dept Comp Sci, Santa Barbara, CA 93106 USA. [Kamil, Shoaib] MIT, CSAIL, Cambridge, MA 02139 USA. [Buluc, Aydin; Williams, Samuel; Oliker, Leonid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, CRD, Berkeley, CA 94720 USA. [Duriakova, Erika] Univ Coll Dublin, Sch Comp Sci & Informat, Dublin, Ireland. [Fox, Armando] Univ Calif Berkeley, Dept EECS, Berkeley, CA 94720 USA. RP Lugowski, A (reprint author), Univ Calif Santa Barbara, Dept Comp Sci, Santa Barbara, CA 93106 USA. EM alugowski@cs.ucsb.edu; skamil@mit.edu; abuluc@lbl.gov FU Office of Science Advanced Scientific Computing Research of the US Department of Energy [DE-AC02-05CH11231]; National Science Foundation [CNS-0709385]; DARPA [FA8750-10-1-0191]; UPCRC from Microsoft Corp. [024263]; Intel Corp. [024894, 618442525-57661]; UC [DIG07-10227]; Par Lab affiliates National Instruments; NEC; Nokia; NVIDIA; Oracle; Samsung; DOE Office of Science [DE-AC02-05-CH-11231, 8-482526701]; NSF [CNS-0709385]; Center for Scientific Computing at UCSB under NSF [CNS-0960316] FX This work is supported by the Computer Science Program, the Applied Mathematics Program, and the Early-Career Research Program within the Office of Science Advanced Scientific Computing Research of the US Department of Energy under contract No. DE-AC02-05CH11231. This work was supported in part by National Science Foundation grant CNS-0709385. Portions of this work were performed at the UC Berkeley Parallel Computing Laboratory (Par Lab), supported by DARPA (contract #FA8750-10-1-0191) and by the UPCRC awards from Microsoft Corp. (Award #024263) and Intel Corp. (Award #024894), with matching funds from the UC Discovery Grant (#DIG07-10227) and additional support from Par Lab affiliates National Instruments, NEC, Nokia, NVIDIA, Oracle, and Samsung. This research used resources of the National Energy Research Scientific Computing Center, which is supported by DOE Office of Science under Contract No. DE-AC02-05-CH-11231. The authors from UC Santa Barbara were supported in part by NSF grant CNS-0709385 by a contract from Intel Corp. (#618442525-57661), by a gift from Microsoft Corp. by the Center for Scientific Computing at UCSB under NSF Grant CNS-0960316, and contract #8-482526701 from the DOE Office of Science. NR 37 TC 3 Z9 3 U1 3 U2 6 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0743-7315 EI 1096-0848 J9 J PARALLEL DISTR COM JI J. Parallel Distrib. Comput. PD MAY PY 2015 VL 79-80 SI SI BP 115 EP 131 DI 10.1016/j.jpdc.2014.08.010 PG 17 WC Computer Science, Theory & Methods SC Computer Science GA CK4JF UT WOS:000356189400011 ER PT J AU Daily, J Kalyanaraman, A Krishnamoorthy, S Vishnu, A AF Daily, Jeff Kalyanaraman, Ananth Krishnamoorthy, Sriram Vishnu, Abhinav TI A work stealing based approach for enabling scalable optimal sequence homology detection SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING LA English DT Article DE Homology detection; Pairwise sequence alignment; Protein family identification; Dynamic load balancing; Work stealing; Distributed task counters; Parallel suffix tree construction ID SMITH-WATERMAN; PROTEIN FAMILIES; PARALLEL COMPUTERS; DATABASE SEARCHES; BLAST; SUBSEQUENCES; SENSITIVITY; SELECTIVITY; ALGORITHMS; FASTER AB Sequence homology detection is central to a number of bioinformatics applications including genome sequencing and protein family characterization. Given millions of sequences, the goal is to identify all pairs of sequences that are highly similar (or "homologous") on the basis of alignment criteria. While there are optimal alignment algorithms to compute pairwise homology, their deployment for large-scale is currently not feasible; instead, heuristic methods are used at the expense of quality. Here, we present the design and evaluation of a parallel implementation for conducting optimal homology detection on distributed memory supercomputers. Our approach uses a combination of techniques from asynchronous load balancing (viz, work stealing, dynamic task counters), data replication, and exact-matching filters to achieve homology detection at scale. Results for 2.56 M sequences on up to 8K cores show parallel efficiencies of similar to 75%-100%, a time-to-solution of 33 s, and a rate of similar to 2.0 M alignments per second. (C) 2014 Elsevier Inc. C1 [Daily, Jeff; Krishnamoorthy, Sriram; Vishnu, Abhinav] Pacific NW Natl Lab, High Performance Comp Grp, Richland, WA 99352 USA. [Kalyanaraman, Ananth] Washington State Univ, Sch Elect Engn & Comp Sci, Pullman, WA 99164 USA. RP Daily, J (reprint author), Pacific NW Natl Lab, High Performance Comp Grp, 902 Battelle Blvd,POB 999,MSIN J4-30, Richland, WA 99352 USA. EM jeff.daily@pnnl.gov; ananth@eecs.wsu.edu; sriram@pnnl.gov; Abhinav.Vishnu@pnnl.gov OI Daily, Jeff/0000-0001-6212-5173 FU DOE Office of Science, Advanced Scientific Computing Research program [DE-SC-0006516]; Laboratory Directed Research and Development program through the eXtreme Scale Computing Initiative at Pacific Northwest National Laboratory (PNNL); United States Department of Energy [DE-AC05-76RL01830]; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported in parts by the DOE Office of Science, Advanced Scientific Computing Research program (award DE-SC-0006516), and by the Laboratory Directed Research and Development program through the eXtreme Scale Computing Initiative at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the United States Department of Energy under contract DE-AC05-76RL01830. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 43 TC 3 Z9 3 U1 0 U2 8 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0743-7315 EI 1096-0848 J9 J PARALLEL DISTR COM JI J. Parallel Distrib. Comput. PD MAY PY 2015 VL 79-80 SI SI BP 132 EP 142 DI 10.1016/j.jpdc.2014.08.009 PG 11 WC Computer Science, Theory & Methods SC Computer Science GA CK4JF UT WOS:000356189400012 ER PT J AU Guo, G Hackebeil, G Ryan, SM Watson, JP Woodruff, DL AF Guo, Ge Hackebeil, Gabriel Ryan, Sarah M. Watson, Jean-Paul Woodruff, David L. TI Integration of progressive hedging and dual decomposition in stochastic integer programs SO OPERATIONS RESEARCH LETTERS LA English DT Article DE Stochastic programming; Mixed-integer programming; Progressive hedging; Dual decomposition; Lower bounding ID UNIT COMMITMENT PROBLEM; AGGREGATION AB We present a method for integrating the Progressive Hedging (PH) algorithm and the Dual Decomposition (DD) algorithm of Caroe and Schultz for stochastic mixed-integer programs. Based on the correspondence between lower bounds obtained with PH and DD, a method to transform weights from PH to Lagrange multipliers in DD is found. Fast progress in early iterations of PH speeds up convergence of DD to an exact solution. We report computational results on server location and unit commitment instances. (C) 2015 Elsevier B.V. All rights reserved. C1 [Guo, Ge; Ryan, Sarah M.] Iowa State Univ, Dept Ind & Mfg Syst Engn, Ames, IA 50011 USA. [Hackebeil, Gabriel; Watson, Jean-Paul] Sandia Natl Labs, Discrete Math & Complex Syst Dept, Albuquerque, NM 87185 USA. [Woodruff, David L.] Univ Calif Davis, Grad Sch Management, Davis, CA 95616 USA. RP Ryan, SM (reprint author), Iowa State Univ, Dept Ind & Mfg Syst Engn, Ames, IA 50011 USA. EM smryan@iastate.edu OI Ryan, Sarah/0000-0001-5903-1432 FU US Department of Energy's Advanced Research Projects Agency - Energy and its Office of Advanced Scientific Computing Research; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94-AL85000] FX The research in this article was funded by the US Department of Energy's Advanced Research Projects Agency - Energy and its Office of Advanced Scientific Computing Research. We are grateful to Ralf Gollmer for his consistent assistance with DDSIP software. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary Lockheed Martin Corporation, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94-AL85000. NR 27 TC 1 Z9 1 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-6377 EI 1872-7468 J9 OPER RES LETT JI Oper. Res. Lett. PD MAY PY 2015 VL 43 IS 3 BP 311 EP 316 DI 10.1016/j.orl.2015.03.008 PG 6 WC Operations Research & Management Science SC Operations Research & Management Science GA CK3MW UT WOS:000356121200018 ER PT J AU Chamorro, LP Hill, C Neary, VS Gunawan, B Arndt, REA Sotiropoulos, F AF Chamorro, L. P. Hill, C. Neary, V. S. Gunawan, B. Arndt, R. E. A. Sotiropoulos, F. TI Effects of energetic coherent motions on the power and wake of an axial-flow turbine SO PHYSICS OF FLUIDS LA English DT Article ID OPEN-CHANNEL FLOW; TURBULENCE MEASUREMENTS; TIP VORTICES; FAR WAKE; STABILITY; VORTEX; ROTOR; NUMBER AB A laboratory experiment examined the effects of energetic coherent motions on the structure of the wake and power fluctuations generated by a model axial-flow hydrokinetic turbine. The model turbine was placed in an open-channel flow and operated under subcritical conditions. The incoming flow was locally perturbed with vertically oriented cylinders of various diameters. An array of three acoustic Doppler velocimeters aligned in the cross-stream direction and a torque transducer were used to collect high-resolution and synchronous measurements of the three-velocity components of the incoming and wake flow as well as the turbine power. A strong scale-to-scale interaction between the large-scale and broadband turbulence shed by the cylinders and the turbine power revealed how the turbulence structure modulates the turbine behavior. In particular, the response of the turbine to the distinctive von Karman-type vortices shed from the cylinders highlighted this phenomenon. The mean and fluctuating characteristics of the turbine wake are shown to be very sensitive to the energetic motions present in the flow. Tip vortices were substantially dampened and the near-field mean wake recovery accelerated in the presence of energetic motions in the flow. Strong coherent motions are shown to be more effective than turbulence levels for triggering the break-up of the spiral structure of the tip-vortices. (C) 2015 AIP Publishing LLC. C1 [Chamorro, L. P.] Univ Illinois, Mech Sci & Engn Dept, Urbana, IL 61801 USA. [Hill, C.; Arndt, R. E. A.; Sotiropoulos, F.] Univ Minnesota, Coll Sci & Engn, St Anthony Falls Lab, Minneapolis, MN 55414 USA. [Neary, V. S.; Gunawan, B.] Sandia Natl Labs, Water Power Technol, Albuquerque, NM 87123 USA. RP Sotiropoulos, F (reprint author), Univ Minnesota, Coll Sci & Engn, St Anthony Falls Lab, Minneapolis, MN 55414 USA. EM fotis@umn.edu OI Chamorro, Leonardo/0000-0002-5199-424X FU U.S. Department of Energy's (DOE) Energy Efficiency and Renewable Energy (EERE) Offices Wind and Water Power Technologies Office; National Science Foundation [IIP-1318201]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This research was made possible by support from the U.S. Department of Energy's (DOE) Energy Efficiency and Renewable Energy (EERE) Offices Wind and Water Power Technologies Office, and the National Science Foundation under Grant No. IIP-1318201. Sandia is a multi-program laboratory managed and operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration undermaek Contract No. DE-AC04-94AL85000. NR 23 TC 4 Z9 5 U1 1 U2 8 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 MAY PY 2015 VL 27 IS 5 AR 055104 DI 10.1063/1.4921264 PG 11 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA CK0VH UT WOS:000355922800038 ER PT J AU Rosenberg, D Pouquet, A Marino, R Mininni, PD AF Rosenberg, D. Pouquet, A. Marino, R. Mininni, P. D. TI Evidence for Bolgiano-Obukhov scaling in rotating stratified turbulence using high-resolution direct numerical simulations SO PHYSICS OF FLUIDS LA English DT Article ID ENERGY CASCADE; ASPECT-RATIO; ISOTROPIC TURBULENCE; POTENTIAL ENSTROPHY; BOUSSINESQ FLOWS; INVERSE CASCADES; SOUTHERN-OCEAN; LARGE SCALES; HELICITY; DISSIPATION AB We report results on rotating stratified turbulence in the absence of forcing and with large-scale isotropic initial conditions using direct numerical simulations computed on grids of up to 4096 (3) points. The Reynolds and Froude numbers are, respectively, equal to Re = 5.4 x 10 (4) and Fr = 0.0242. The ratio of the Brunt-Vaisala to the inertial wave frequency, N/f, is taken to be equal to 4.95, a choice appropriate to model the dynamics of the southern abyssal ocean at mid latitudes. This gives a global buoyancy Reynolds number R-B = ReFr2 approximate to 32, a value sufficient for some isotropy to be recovered in the small scales beyond the Ozmidov scale, but still moderate enough that the intermediate scales where waves are prevalent are well resolved. We concentrate on the large-scale dynamics, for which we find a spectrum compatible with the Bolgiano-Obukhov scaling. This scaling is also found for geostrophically balanced initial conditions on a run at a lower resolution and hence lower R-B approximate to 4. Furthermore, we confirm that the Froude number based on a typical vertical length scale is of order unity, with strong gradients in the vertical. Two characteristic scales emerge from this computation and are identified from sharp variations in the spectral distribution of either total energy or helicity. A spectral break is also observed at a scale at which the partition of energy between the kinetic and potential modes changes abruptly, and beyond which a Kolmogorov-like spectrum recovers. Large slanted layers are ubiquitous in the flow, in the velocity and temperature fields, with local overturning events indicated by small local Richardson numbers and strong localized vortex tangles. Finally, a small large-scale enhancement of energy directly attributable to the effect of rotation is also observed. (C) 2015 AIP Publishing LLC. C1 [Rosenberg, D.] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA. [Pouquet, A.] Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80309 USA. [Marino, R.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Marino, R.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Marino, R.] CNR, Inst Chem Phys Proc IPCF, I-87036 Arcavacata Di Rende, CS, Italy. [Mininni, P. D.] Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Fis, RA-1428 Buenos Aires, DF, Argentina. [Mininni, P. D.] Consejo Nacl Invest Cient & Tecn, IFIBA, RA-1428 Buenos Aires, DF, Argentina. RP Rosenberg, D (reprint author), Oak Ridge Natl Lab, Natl Ctr Computat Sci, POB 2008, Oak Ridge, TN 37831 USA. RI Marino, Raffaele/M-5130-2015; OI Marino, Raffaele/0000-0002-7372-8620; Mininni, Pablo/0000-0001-6858-6755; Rosenberg, Duane/0000-0002-0208-8689 FU CMG/NSF [1025183]; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]; DOE INCITE [ENP008]; NSF XSEDE [TG-PHY110044]; LASP; Regional Operative Program Calabria ESF; Marie Curie Project [FP7PIRSES-2010-269297-Turbo-plasmas]; U.S. Department of Energy [DE-AC05-00OR22725]; United States Government; Department of Energy FX This work was supported by CMG/NSF Grant No. 1025183 and used resources of the Oak Ridge Leadership Computing Facility (OLCF) at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. Computer time was provided through a DOE INCITE Award No. ENP008 and an NSF XSEDE allocation Award No. TG-PHY110044. We wish to thank M. Matheson of the OLCF for his full-res visualizations. Additional computer time through an ASD allocation at NCAR is also gratefully acknowledged. P.D.M. is a member of the Carrera del Investigador Cientifico of CONICET. Support for A.P., from LASP and Bob Ergun, is gratefully acknowledged. R.M. acknowledges support from the Regional Operative Program Calabria ESF 2007/2013, and Marie Curie Project FP7PIRSES-2010-269297-Turbo-plasmas.; 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 78 TC 5 Z9 5 U1 0 U2 8 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 MAY PY 2015 VL 27 IS 5 AR 055105 DI 10.1063/1.4921076 PG 24 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA CK0VH UT WOS:000355922800039 ER PT J AU Terrones, G Carrara, MD AF Terrones, Guillermo Carrara, Mark D. TI Rayleigh-Taylor instability at spherical interfaces between viscous fluids: Fluid/vacuum interface SO PHYSICS OF FLUIDS LA English DT Article ID RICHTMYER-MESHKOV INSTABILITIES; STABILITY; BUBBLE; SHELLS AB For a spherical interface of radius R separating two different homogeneous regions of incompressible viscous fluids under the action of a radially directed acceleration, we perform a linear stability analysis in terms of spherical surface harmonics Y-n to derive the dispersion relation. The instability behavior is investigated by computing the growth rates and the most-unstable modes as a function of the spherical harmonic degree n. This general methodology is applicable to the entire parameter space spanned by the Atwood number, the viscosity ratio, and the dimensionless number B = (a(R)rho(2)(2)/mu(2)(2))(1/3) R (where a(R), rho(2), and mu(2) are the local radial acceleration at the interface, and the density and viscosity of the denser overlying fluid, respectively). While the mathematical formulation herein is general, this paper focuses on instability that arises at a spherical viscous fluid/vacuum interface as there is a great deal to be learned from the effects of one-fluid viscosity and sphericity alone. To quantify and understand the effect that curvature and radial acceleration have on the Rayleigh-Taylor instability, a comparison of the growth rates, under homologous driving conditions, between the planar and spherical interfaces is performed. The derived dispersion relation for the planar interface accounts for an underlying finite fluid region of thickness L and normal acceleration a(R). Under certain conditions, the development of the most-unstable modes at a spherical interface can take place via the superposition of two adjacent spherical harmonics Y-n and Yn+ 1. This bimodality in the evolution of disturbances in the linear regime does not have a counterpart in the planar configuration where the most-unstable modes are associated with a unique wave number. (C) 2015 AIP Publishing LLC. C1 [Terrones, Guillermo; Carrara, Mark D.] Los Alamos Natl Lab, X Theoret Design, Los Alamos, NM 87545 USA. RP Terrones, G (reprint author), Los Alamos Natl Lab, X Theoret Design, POB 1663, Los Alamos, NM 87545 USA. EM terrones@lanl.gov FU U.S. Department of Energy [DE-AC52-06NA25396] FX This paper is dedicated to the memory of Mark David Carrara whose untimely death has left an indelible void in those who knew him. 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 No. DE-AC52-06NA25396. NR 19 TC 2 Z9 2 U1 3 U2 15 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 MAY PY 2015 VL 27 IS 5 AR 054105 DI 10.1063/1.4921648 PG 17 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA CK0VH UT WOS:000355922800033 ER PT J AU Abe, K Aihara, H Andreopoulos, C Anghel, I Ariga, A Ariga, T Asfandiyarov, R Askins, M Back, JJ Ballett, P Barbi, M Barker, GJ Barr, G Bay, F Beltrame, P Berardi, V Bergevin, M Berkman, S Berry, T Bhadra, S Blaszczyk, FDM Blondel, A Bolognesi, S Boyd, SB Bravar, A Bronner, C Cafagna, FS Carminati, G Cartwright, SL Catanesi, MG Choi, K Choi, JH Collazuol, G Cowan, G Cremonesi, L Davies, G De Rosa, G Densham, C Detwiler, J Dewhurst, D Di Lodovico, F Di Luise, S Drapier, O Emery, S Ereditato, A Fernandez, P Feusels, T Finch, A Fitton, M Friend, M Fujii, Y Fukuda, Y Fukuda, D Galymov, V Ganezer, K Gonin, M Gumplinger, P Hadley, DR Haegel, L Haesler, A Haga, Y Hartfiel, B Hartz, M Hayato, Y Hierholzer, M Hill, J Himmel, A Hirota, S Horiuchi, S Huang, K Ichikawa, AK Iijima, T Ikeda, M Imber, J Inoue, K Insler, J Intonti, RA Irvine, T Ishida, T Ishino, H Ishitsuka, M Itow, Y Izmaylov, A Jamieson, B Jang, HI Jiang, M Joo, KK Jung, CK Kaboth, A Kajita, T Kameda, J Karadhzov, Y Katori, T Kearns, E Khabibullin, M Khotjantsev, A Kim, JY Kim, SB Kishimoto, Y Kobayashi, T Koga, M Konaka, A Kormos, LL Korzenev, A Koshio, Y Kropp, WR Kudenko, Y Kutter, T Kuze, M Labarga, L Lagoda, J Laveder, M Lawe, M Learned, JG Lim, IT Lindner, T Longhin, A Ludovici, L Ma, W Magaletti, L Mahn, K Malek, M Mariani, C Marti, L Martin, JF Martin, C Martins, PPJ Mazzucato, E McCauley, N McFarland, KS McGrew, C Mezzetto, M Minakata, H Minamino, A Mine, S Mineev, O Miura, M Monroe, J Mori, T Moriyama, S Mueller, T Muheim, F Nakahata, M Nakamura, K Nakaya, T Nakayama, S Needham, M Nicholls, T Nirkko, M Nishimura, Y Noah, E Nowak, J Nunokawa, H O'Keeffe, HM Okajima, Y Okumura, K Oser, SM O'Sullivan, E Ovsiannikova, T Owen, RA Oyama, Y Perez, J Pac, MY Palladino, V Palomino, JL Paolone, V Payne, D Perevozchikov, O Perkin, JD Pistillo, C Playfer, S Posiadala-Zezula, M Poutissou, JM Quilain, B Quinto, M Radicioni, E Ratoff, PN Ravonel, M Rayner, MA Redij, A Retiere, F Riccio, C Richard, E Rondio, E Rose, HJ Ross-Lonergan, M Rott, C Rountree, SD Rubbia, A Sacco, R Sakuda, M Sanchez, MC Scantamburlo, E Scholberg, K Scott, M Seiya, Y Sekiguchi, T Sekiya, H Shaikhiev, A Shimizu, I Shiozawa, M Short, S Sinnis, G Smy, MB Sobczyk, J Sobel, HW Stewart, T Stone, JL Suda, Y Suzuki, Y Suzuki, AT Svoboda, R Tacik, R Takeda, A Taketa, A Takeuchi, Y Tanaka, HA Tanaka, HKM Tanaka, H Terri, R Thompson, LF Thorpe, M Tobayama, S Tolich, N Tomura, T Touramanis, C Tsukamoto, T Tzanov, M Uchida, Y Vagins, MR Vasseur, G Vogelaar, RB Walter, CW Wark, D Wascko, MO Weber, A Wendell, R Wilkes, RJ Wilking, MJ Wilson, JR Xin, T Yamamoto, K Yanagisawa, C Yano, T Yen, S Yershov, N Yokoyama, M Zito, M AF Abe, K. Aihara, H. Andreopoulos, C. Anghel, I. Ariga, A. Ariga, T. Asfandiyarov, R. Askins, M. Back, J. J. Ballett, P. Barbi, M. Barker, G. J. Barr, G. Bay, F. Beltrame, P. Berardi, V. Bergevin, M. Berkman, S. Berry, T. Bhadra, S. Blaszczyk, F. D. M. Blondel, A. Bolognesi, S. Boyd, S. B. Bravar, A. Bronner, C. Cafagna, F. S. Carminati, G. Cartwright, S. L. Catanesi, M. G. Choi, K. Choi, J. H. Collazuol, G. Cowan, G. Cremonesi, L. Davies, G. De Rosa, G. Densham, C. Detwiler, J. Dewhurst, D. Di Lodovico, F. Di Luise, S. Drapier, O. Emery, S. Ereditato, A. Fernandez, P. Feusels, T. Finch, A. Fitton, M. Friend, M. Fujii, Y. Fukuda, Y. Fukuda, D. Galymov, V. Ganezer, K. Gonin, M. Gumplinger, P. Hadley, D. R. Haegel, L. Haesler, A. Haga, Y. Hartfiel, B. Hartz, M. Hayato, Y. Hierholzer, M. Hill, J. Himmel, A. Hirota, S. Horiuchi, S. Huang, K. Ichikawa, A. K. Iijima, T. Ikeda, M. Imber, J. Inoue, K. Insler, J. Intonti, R. A. Irvine, T. Ishida, T. Ishino, H. Ishitsuka, M. Itow, Y. Izmaylov, A. Jamieson, B. Jang, H. I. Jiang, M. Joo, K. K. Jung, C. K. Kaboth, A. Kajita, T. Kameda, J. Karadhzov, Y. Katori, T. Kearns, E. Khabibullin, M. Khotjantsev, A. Kim, J. Y. Kim, S. B. Kishimoto, Y. Kobayashi, T. Koga, M. Konaka, A. Kormos, L. L. Korzenev, A. Koshio, Y. Kropp, W. R. Kudenko, Y. Kutter, T. Kuze, M. Labarga, L. Lagoda, J. Laveder, M. Lawe, M. Learned, J. G. Lim, I. T. Lindner, T. Longhin, A. Ludovici, L. Ma, W. Magaletti, L. Mahn, K. Malek, M. Mariani, C. Marti, L. Martin, J. F. Martin, C. Martins, P. P. J. Mazzucato, E. McCauley, N. McFarland, K. S. McGrew, C. Mezzetto, M. Minakata, H. Minamino, A. Mine, S. Mineev, O. Miura, M. Monroe, J. Mori, T. Moriyama, S. Mueller, T. Muheim, F. Nakahata, M. Nakamura, K. Nakaya, T. Nakayama, S. Needham, M. Nicholls, T. Nirkko, M. Nishimura, Y. Noah, E. Nowak, J. Nunokawa, H. O'Keeffe, H. M. Okajima, Y. Okumura, K. Oser, S. M. O'Sullivan, E. Ovsiannikova, T. Owen, R. A. Oyama, Y. Perez, J. Pac, M. Y. Palladino, V. Palomino, J. L. Paolone, V. Payne, D. Perevozchikov, O. Perkin, J. D. Pistillo, C. Playfer, S. Posiadala-Zezula, M. Poutissou, J. -M. Quilain, B. Quinto, M. Radicioni, E. Ratoff, P. N. Ravonel, M. Rayner, M. A. Redij, A. Retiere, F. Riccio, C. Richard, E. Rondio, E. Rose, H. J. Ross-Lonergan, M. Rott, C. Rountree, S. D. Rubbia, A. Sacco, R. Sakuda, M. Sanchez, M. C. Scantamburlo, E. Scholberg, K. Scott, M. Seiya, Y. Sekiguchi, T. Sekiya, H. Shaikhiev, A. Shimizu, I. Shiozawa, M. Short, S. Sinnis, G. Smy, M. B. Sobczyk, J. Sobel, H. W. Stewart, T. Stone, J. L. Suda, Y. Suzuki, Y. Suzuki, A. T. Svoboda, R. Tacik, R. Takeda, A. Taketa, A. Takeuchi, Y. Tanaka, H. A. Tanaka, H. K. M. Tanaka, H. Terri, R. Thompson, L. F. Thorpe, M. Tobayama, S. Tolich, N. Tomura, T. Touramanis, C. Tsukamoto, T. Tzanov, M. Uchida, Y. Vagins, M. R. Vasseur, G. Vogelaar, R. B. Walter, C. W. Wark, D. Wascko, M. O. Weber, A. Wendell, R. Wilkes, R. J. Wilking, M. J. Wilson, J. R. Xin, T. Yamamoto, K. Yanagisawa, C. Yano, T. Yen, S. Yershov, N. Yokoyama, M. Zito, M. CA Hyper-Kamiokande Proto-Collaborati TI Physics potential of a long-baseline neutrino oscillation experiment using a J-PARC neutrino beam and Hyper-Kamiokande SO PROGRESS OF THEORETICAL AND EXPERIMENTAL PHYSICS LA English DT Article ID CP-VIOLATION; SUPER-KAMIOKANDE; DETECTOR; MASS; NONCONSERVATION; CONSERVATION; SYMMETRIES; MINIBOONE; MODEL AB Hyper-Kamiokande will be a next-generation underground water Cherenkov detector with a total (fiducial) mass of 0.99 (0.56) million metric tons, approximately 20 (25) times larger than that of Super-Kamiokande. One of the main goals of Hyper-Kamiokande is the study of CP asymmetry in the lepton sector using accelerator neutrino and anti-neutrino beams. In this paper, the physics potential of a long-baseline neutrino experiment using the Hyper-Kamiokande detector and a neutrino beam from the J-PARC proton synchrotron is presented. The analysis uses the framework and systematic uncertainties derived from the ongoing T2K experiment. With a total exposure of 7.5 MW x 10(7) s integrated proton beam power (corresponding to 1.56 x 10(22) protons on target with a 30 GeV proton beam) to a 2.5 degrees off-axis neutrino beam, it is expected that the leptonic CP phase delta(CP) can be determined to better than 19 degrees for all possible values of delta(CP), and CP violation can be established with a statistical significance of more than 3 sigma (5 sigma) for 76% (58%) of the delta(CP) parameter space. Using both nu(e) appearance and nu(mu) disappearance data, the expected 1 sigma uncertainty of sin(2) theta(23) is 0.015(0.006) for sin(2) theta(23) = 0.5(0.45). C1 [Ariga, A.; Ariga, T.; Ereditato, A.; Hierholzer, M.; Nirkko, M.; Pistillo, C.; Redij, A.] Univ Bern, Albert Einstein Ctr Fundamental Phys, LHEP, Bern, Switzerland. [Kearns, E.; Stone, J. L.] Boston Univ, Dept Phys, Boston, MA 02215 USA. 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A.; Magaletti, L.; Quinto, M.; Radicioni, E.] Univ & Politecn Bari, Dipartimento Interuniv Fis, Bari, Italy. [De Rosa, G.; Palladino, V.; Riccio, C.] Ist Nazl Fis Nucl, Sez Napoli, I-80125 Naples, Italy. [De Rosa, G.; Palladino, V.; Riccio, C.] Univ Naples Federico II, Dipartimento Fis, Naples, Italy. [Collazuol, G.; Laveder, M.; Mezzetto, M.] Ist Nazl Fis Nucl, Sez Padova, Padua, Italy. [Collazuol, G.; Laveder, M.; Mezzetto, M.] Univ Padua, Dipartimento Fis, Padua, Italy. [Ludovici, L.] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy. [Izmaylov, A.; Khabibullin, M.; Khotjantsev, A.; Kudenko, Y.; Mineev, O.; Ovsiannikova, T.; Shaikhiev, A.; Yershov, N.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Anghel, I.; Ariga, A.; Davies, G.; Sanchez, M. C.; Xin, T.] Iowa State Univ, Dept Phys & Astron, Ames, IA USA. [Friend, M.; Fujii, Y.; Ishida, T.; Kobayashi, T.; Nakamura, K.; Oyama, Y.; Sekiguchi, T.; Tsukamoto, T.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki, Japan. 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[Densham, C.; Fitton, M.; Nicholls, T.; Stewart, T.; Thorpe, M.; Wark, D.; Weber, A.] SERC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England. [Rott, C.] Sungkyunkwan Univ, Dept Phys, Suwon, South Korea. [Inoue, K.; Koga, M.; Shimizu, I.] Tohoku Univ, Res Ctr Neutrino Sci, Sendai, Miyagi 980, Japan. [Taketa, A.; Tanaka, H. K. M.] Univ Tokyo, Earthquake Res Inst, Tokyo 113, Japan. [Abe, K.; Haga, Y.; Hayato, Y.; Ikeda, M.; Kameda, J.; Kishimoto, Y.; Miura, M.; Moriyama, S.; Nakahata, M.; Nakayama, S.; Sekiya, H.; Shiozawa, M.; Takeda, A.; Tanaka, H.; Tomura, T.; Wendell, R.] Univ Tokyo, Inst Cosm Ray Res, Kamioka Observ, Kamioka, Akita, Japan. [Irvine, T.; Kajita, T.; Nishimura, Y.; Okumura, K.; Richard, E.] Univ Tokyo, Inst Cosm Ray Res, Res Ctr Cosm Neutrinos, Kashiwa, Chiba, Japan. [Abe, K.; Aihara, H.; Ariga, A.; Bronner, C.; Hartz, M.; Hayato, Y.; Inoue, K.; Jung, C. 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EM masashi@phys.s.u-tokyo.ac.jp RI Yokoyama, Masashi/A-4458-2011; Aihara, Hiroaki/F-3854-2010; Ludovici, Lucio/F-5917-2011; Barker, Gareth/C-9616-2009; Khabibullin, Marat/O-1076-2013; Sobczyk, Jan/C-9761-2016; Cafagna, Francesco/A-9299-2010; Di Lodovico, Francesca/L-9109-2016; Koshio, Yusuke/C-2847-2015; Nowak, Jaroslaw/P-2502-2016; Collazuol, Gianmaria/C-5670-2012; Mariani, Camillo/J-6070-2015 OI Korzenev, Alexander/0000-0003-2107-4415; Shaikhiev, Artur/0000-0003-2921-8743; Weber, Alfons/0000-0002-8222-6681; Yokoyama, Masashi/0000-0003-2742-0251; Aihara, Hiroaki/0000-0002-1907-5964; Ludovici, Lucio/0000-0003-1970-9960; Barker, Gareth/0000-0002-5214-7421; Cafagna, Francesco/0000-0002-7450-4784; Di Lodovico, Francesca/0000-0003-3952-2175; Koshio, Yusuke/0000-0003-0437-8505; Nowak, Jaroslaw/0000-0001-8637-5433; Collazuol, Gianmaria/0000-0002-7876-6124; Mariani, Camillo/0000-0003-3284-4681 FU MEXT [25105004]; JSPS, Japan; European Union [ERC-207282, H2020 RISE-GA644294-JENNIFER, H2020 RISE-GA641540-SKPLUS]; RSF, Russia; RFBR, Russia; MES, Russia; JSPS; RFBR FX This work was supported by a MEXT Grant-in-Aid for Scientific Research on Innovative Areas Number 25105004, titled "Unification and Development of the Neutrino Science Frontier." In addition, the participation of individual researchers has been further supported by funds from JSPS, Japan; the European Union ERC-207282, H2020 RISE-GA644294-JENNIFER, and H2020 RISE-GA641540-SKPLUS; RSF, RFBR, and MES, Russia; and JSPS and RFBR under the Japan-Russia Research Cooperative Program. NR 88 TC 7 Z9 7 U1 2 U2 16 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 2050-3911 J9 PROG THEOR EXP PHYS JI Prog. Theor. Exp. Phys. 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Halkiadakis, E. Hidas, D. Kaplan, S. Lath, A. Panwalkar, S. Park, M. Patel, R. Salur, S. Schnetzer, S. Somalwar, S. Stone, R. Thomas, S. Thomassen, P. Walker, M. Rose, K. Spanier, S. York, A. Bouhali, O. Hernandez, A. Castaneda Eusebi, R. Flanagan, W. Gilmore, J. Kamon, T. Khotilovich, V. Krutelyov, V. Montalvo, R. Osipenkov, I. Pakhotin, Y. Perloff, A. Roe, J. Rose, A. Safonov, A. Sakuma, T. Suarez, I. Tatarinov, 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. 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. Verwilligen, P. Vuosalo, C. Woods, N. CA CMS Collaboration TI Measurement of the inclusive 3-jet production differential cross section in proton-proton collisions at 7 TeV and determination of the strong coupling constant in the TeV range SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID PARTON DISTRIBUTIONS; JET FRAGMENTATION; ROOT-S=7 TEV; MODEL; SCATTERING; ALPHA(S); LHC AB This paper presents a measurement of the inclusive 3-jet production differential cross section at a proton-proton centre-of-mass energy of 7 TeV using data corresponding to an integrated luminosity of 5 fb(-1) collected with the CMS detector. The analysis is based on the three jets with the highest transverse momenta. The cross section is measured as a function of the invariant mass of the three jets in a range of 445-3270 GeV and in two bins of the maximum rapidity of the jets up to a value of 2. A comparison between the measurement and the prediction from perturbative QCD at next-to-leading order is performed. Within uncertainties, data and theory are in agreement. The sensitivity of the observable to the strong coupling constant alpha(S) is studied. A fit to all data points with 3-jet masses larger than 664 GeV gives a value of the strong coupling constant of alpha(S)(M-Z) = 0.1171 +/- 0.0013 (exp) (+0.0073)(-0.0047) (theo). C1 [Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Adam, W.; Bergauer, T.; Dragicevic, M.; Eroe, J.; Fabjan, C.; Friedl, M.; Fruehwirth, R.; Ghete, V. 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[Beri, S. B.; Bhatnagar, V.; Gupta, R.; Bhawandeep, U.; Kalsi, A. K.; Kaur, M.; Kumar, R.; Mittal, M.; Nishu, N.; Singh, J. B.; Sharma, V.] Panjab Univ, Chandigarh 160014, India. [Banerjee, S.; Bhattacharya, S.; Chatterjee, K.; Dutta, S.; Gomber, B.; Jain, Sa.; Jain, Sh.; Khurana, R.; Modak, A.; Mukherjee, S.; Roy, D.; Sarkar, S.; Sharan, M.] Saha Inst Nucl Phys, Kolkata, India. [Abdulsalam, A.; Dutta, D.; Kailas, S.; Kumar, V.; Mohanty, A. K.; Pant, L. M.; Shukla, P.; Topkar, A.] Bhabha Atom Res Ctr, Mumbai 400085, Maharashtra, India. [Banerjee, S.; Aziz, T.; Bhowmik, S.; Chatterjee, R. M.; Dewanjee, R. K.; Dugad, S.; Ganguly, S.; Ghosh, S.; Guchait, M.; Gurtu, A.; Kole, G.; Kumar, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Mohanty, G. B.; Parida, B.; Sudhakar, K.; Wickramage, N.] Tata Inst Fundamental Res, Mumbai 400005, Maharashtra, India. [Bakhshiansohi, H.; Behnamian, H.; Etesami, S. M.; Fahim, A.; Goldouzian, R.; Khakzad, M.; Najafabadi, M. Mohammadi; Naseri, M.; Mehdiabadi, S. Paktinat; Hosseinabadi, F. Rezaei; Safarzadeh, B.; Zeinali, M.] Inst Res Fundamental Sci IPM, Tehran, Iran. [Felcini, M.; Grunewald, M.] Univ Coll Dublin, Dublin 2, Ireland. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; De Palma, M.; Nuzzo, S.; Pompili, A.; Radogna, R.; Selvaggi, G.; Venditti, R.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; De Palma, M.; Nuzzo, S.; Pompili, A.; Radogna, R.; Selvaggi, G.; Venditti, R.] Univ Bari, Bari, Italy. [Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; My, S.; Pugliese, G.] Politecn Bari, Bari, Italy. [Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Ist Nazl Fis Nucl, Sez Bologna, I-40126 Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Codispoti, G.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Navarria, F. L.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.] Univ Bologna, Bologna, Italy. [Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.] Ist Nazl Fis Nucl, Sez Catania, I-95129 Catania, Italy. [Albergo, S.; Chiorboli, M.; Costa, S.; Potenza, R.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy. CSFNSM, Catania, Italy. [Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Gallo, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.] Ist Nazl Fis Nucl, Sez Firenze, I-50125 Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Tropiano, A.] Univ Florence, Florence, Italy. [Fabbri, F.; Benussi, L.; Bianco, S.; Piccolo, D.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Ferretti, R.; Ferro, F.; Lo Vetere, M.; Robutti, E.; Tosi, S.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Ferretti, R.; Lo Vetere, M.; Tosi, S.] Univ Genoa, Genoa, Italy. [Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Gerosa, R.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Marzocchi, B.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; de Fatis, T. Tabarelli] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20133 Milan, Italy. [Dinardo, M. E.; Fiorendi, S.; Gerosa, R.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Manzoni, R. A.; Martelli, A.; Marzocchi, B.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Cavallo, N.; Di Guida, S.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.] Ist Nazl Fis Nucl, Sez Napoli, I-80125 Naples, Italy. [Iorio, A. O. M.] Univ Naples Federico II, Naples, Italy. [Cavallo, N.; Fabozzi, F.] Univ Basilicata Potenza, Naples, Italy. [Di Guida, S.; Meola, S.] Univ G Marconi Roma, Naples, Italy. [Azzi, P.; Bacchetta, N.; Bisello, D.; Branca, A.; Carlin, R.; Checchia, P.; Dall'Osso, M.; Dorigo, T.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Vanini, S.; Ventura, S.; Zotto, P.; Zucchetta, A.] Ist Nazl Fis Nucl, Sez Padova, Padua, Italy. [Bisello, D.; Branca, A.; Carlin, R.; Dall'Osso, M.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Tosi, M.; Vanini, S.; Zotto, P.; Zucchetta, A.] Univ Padua, Padua, Italy. [Kanishchev, K.] Univ Trento Trento, Padua, Italy. [Gabusi, M.; Ratti, S. P.; Re, V.; Riccardi, C.; Salvini, P.; Vitulo, P.] Ist Nazl Fis Nucl, Sez Pavia, I-27100 Pavia, Italy. [Gabusi, M.; Ratti, S. P.; Riccardi, C.; Vitulo, P.] Univ Pavia, I-27100 Pavia, Italy. [Biasini, M.; Bilei, G. M.; Ciangottini, D.; Fano, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Saha, A.; Santocchia, A.; Spiezia, A.] Ist Nazl Fis Nucl, Sez Perugia, I-06100 Perugia, Italy. [Biasini, M.; Ciangottini, D.; Fano, L.; Lariccia, P.; Mantovani, G.; Santocchia, A.; Spiezia, A.] Univ Perugia, I-06100 Perugia, Italy. [Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Donato, S.; Fiori, F.; Foa, L.; Giassi, A.; Grippo, M. T.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Moon, C. S.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Vernieri, C.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy. [Martini, L.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Broccolo, G.; Donato, S.; Fiori, F.; Foa, L.; Ligabue, F.; Vernieri, C.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; D'imperio, G.; Del Re, D.; Grassi, M.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Nourbakhsh, S.; 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.; Grassi, M.; Longo, E.; Margaroli, F.; Micheli, F.; Nourbakhsh, S.; 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.; Degano, A.; Demaria, N.; Finco, L.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Ortona, G.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Angioni, G. L. Pinna; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Tamponi, U.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Amapane, N.; Argiro, S.; Bellan, R.; Casasso, S.; Costa, M.; Degano, A.; Finco, L.; Migliore, E.; Monaco, V.; Ortona, G.; Pacher, L.; Angioni, G. L. Pinna; Potenza, A.; Romero, A.; Sacchi, R.; Solano, A.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientale Novara, Turin, Italy. [Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; La Licata, C.; Marone, M.; Schizzi, A.; Umer, T.; Zanetti, A.] 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, T. 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, Taegu 702701, South Korea. [Kim, T. J.] Chonbuk Natl Univ, Chonju, South Korea. [Kim, J. Y.; Song, S.] Chonnam Natl Univ, Inst Universe & Elementary Particles, Kwangju, South Korea. [Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, Y.; Lee, B.; Lee, K. S.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea. [Choi, M.; Kim, J. H.; Park, I. C.; Ryu, G.; Ryu, M. S.] Univ Seoul, Seoul, South Korea. [Choi, Y.; Choi, Y. K.; Goh, J.; Kim, D.; Kwon, E.; Lee, J.; Seo, H.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Juodagalvis, A.] Vilnius Univ, Vilnius, Lithuania. [Komaragiri, J. R.; Ali, M. A. B. Md] Univ Malaya, Natl Ctr Particle Phys, Kuala Lumpur, Malaysia. [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 Iberoamer, Mexico City, DF, Mexico. [Pedraza, I.; Salazar Ibarguen, H. A.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Casimiro Linares, E.; Morelos Pineda, A.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland 1, New Zealand. [Butler, P. H.; Reucroft, S.] Univ Canterbury, Christchurch 1, New Zealand. [Ahmad, A.; Ahmad, M.; Hassan, Q.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Khurshid, T.; Shah, M. A.; Shoaib, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; 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.; Wolszczak, W.] 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.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Vorobyev, An.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.] Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. [Epshteyn, V.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Spiridonov, A.; Stolin, V.; Vlasov, E.; Zhokin, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Snigirev, A.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] State Res Ctr Russian Federat, Inst High Energy Phys, 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.; Peris, A. Delgado; Domiguez 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.] CIEMAT, E-28040 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. [Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benaglia, A.; Bendavid, J.; Benhabib, L.; Benitez, J. F.; Bernet, C.; Bianchi, G.; Bloch, P.; Bocci, A.; Bonato, A.; Bondu, O.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; 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.; Eugster, J.; 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.; Musella, P.; Orsini, L.; Pape, L.; Perez, E.; Perrozzi, L.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pierini, M.; Pimiae, M.; Piparo, D.; Plagge, M.; Racz, A.; Rolandi, G.; Rovere, M.; Sakulin, H.; Schaefer, C.; Schwick, C.; Sharma, A.; 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.; Lustermann, W.; Mangano, B.; Marini, A. C.; del Arbol, P. Martinez Ruiz; Masciovecchio, M.; Meister, D.; Mohr, N.; Naegeli, C.; Nessi-Tedaldi, F.; Pandolfi, F.; Pauss, F.; 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.; Mejias, B. Millan; Ngadiuba, J.; Robmann, P.; Ronga, F. J.; Taroni, S.; Verzetti, M.; 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.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Grundler, U.; Hou, W. -S.; Kao, K. Y.; Lei, Y. J.; Liu, Y. F.; Lu, R. -S.; Majumder, D.; 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.; 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.] Cukurova Univ, Adana, Turkey. [Akin, I. V.; Bilin, B.; Bilmis, S.; Gamsizkan, H.; Karapinar, G.; Ocalan, K.; Sekmen, S.; Surat, U. E.; Yalvac, M.; Zeyrek, M.] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey. [Gulmez, E.; Isildak, B.; Kaya, M.; Kaya, O.] 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.; Senkin, S.; Smith, V. J.; Williams, T.] Univ Bristol, Bristol, Avon, England. [Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Womersley, W. J.; Worm, S. D.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Baber, M.; Bainbridge, R.; Buchmuller, O.; Burton, D.; Colling, D.; Cripps, N.; Cutajar, M.; Dauncey, P.; Davies, G.; Della Negra, M.; Dunne, P.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; 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.; Martin, W.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Scarborough, T.] Baylor Univ, Waco, TX 76798 USA. [Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Avetisyan, A.; Bose, T.; Fantasia, C.; 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.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.; Swanson, J.] Brown Univ, Providence, RI 02912 USA. [Breedon, R.; Breto, G.; Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Lander, R.; Miceli, T.; Mulhearn, M.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Searle, M.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Wilbur, S.; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA. [Weber, M.; Cousins, R.; Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Rakness, G.; Takasugi, E.; Valuev, V.] 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.; Nguyen, H.; Negrete, M. Olmedo; Shrinivas, A.; Sumowidagdo, S.; Wimpenny, S.] Univ Calif Riverside, Riverside, CA 92521 USA. [Sharma, V.; Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Evans, D.; Holzner, A.; Kelley, R.; Klein, D.; Lebourgeois, M.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Palmer, C.; Pieri, M.; Sani, M.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Welke, C.; Wuerthwein, F.; Yagil, A.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Barge, D.; Bradmiller-Feld, J.; Campagnari, C.; Danielson, T.; Dishaw, A.; Flowers, K.; Sevilla, M. Franco; Geffert, P.; George, C.; Golf, F.; Gouskos, L.; Incandela, J.; Justus, C.; Mccoll, N.; 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.; Rogan, C.; Spiropulu, M.; Timciuc, V.; 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.; Lopez, E. Luiggi; Nauenberg, U.; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Alexander, J.; Chatterjee, A.; 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.; Gao, Y.; Gottschalk, E.; Gray, L.; Green, D.; Gutsche, O.; Hanlon, J.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Kaadze, K.; Klima, B.; Kreis, B.; Kwan, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Outschoorn, V. I. Martinez; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Sexton-Kennedy, E.; Sharma, S.; 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.; Cheng, T.; 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.; 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, 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.; Bazterra, V. E.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Kurt, P.; Moon, D. H.; O'Brien, C.; Silkworth, C.; Turner, P.; Varelas, N.] Univ Illinois, Chicago, IL USA. [Tonelli Manganote, E. J.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Dilsiz, K.; Duru, F.; Haytmyradov, M.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Ozok, F.; Penzo, A.; Rahmat, R.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Swartz, M.] Johns Hopkins Univ, Baltimore, MD USA. [Baringer, P.; Bean, A.; Benelli, G.; Bruner, C.; Kenny, R. P., III; Malek, M.; Murray, M.; Noonan, D.; Sanders, S.; Sekaric, J.; Stringer, R.; Wang, Q.; Wood, J. S.] Univ Kansas, Lawrence, KS 66045 USA. [Barfuss, A. F.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Shrestha, S.; 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. [Baden, A.; Belloni, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA. [Apyan, A.; Barbieri, R.; Bauer, G.; Busza, W.; Cali, I. A.; Chan, M.; Di Matteo, L.; Dutta, V.; Ceballos, G. Gomez; Goncharov, M.; Gulhan, D.; Klute, M.; Lai, Y. S.; Lee, Y. -J.; Levin, A.; Luckey, P. D.; Ma, T.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Stoeckli, F.; Sumorok, K.; Velicanu, D.; Veverka, J.; Wyslouch, B.; Yang, M.; Zanetti, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA. [Dahmes, B.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Acosta, J. G.; Oliveros, S.] Univ Mississippi, Oxford, MS USA. [Malik, S.; Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Suarez, R. Gonzalez; Keller, J.; Knowlton, D.; Kravchenko, I.; Lazo-Flores, J.; Meier, F.; Snow, G. R.; Zvada, M.] Univ Nebraska Lincoln, Lincoln, NE USA. [Kumar, A.; Dolen, J.; Godshalk, A.; Iashvili, I.; Kharchilava, A.; Rappoccio, S.] SUNY Buffalo, Buffalo, NY 14260 USA. [Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Haley, J.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Trocino, D.; Wang, R. J.; Wood, D.; Zhang, J.] Northeastern Univ, Boston, MA 02115 USA. [Hahn, K. A.; Kubik, A.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Velasco, M.; Won, S.] Northwestern Univ, Evanston, IL USA. [Brinkerhoff, A.; Chan, K. M.; Drozdetskiy, A.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Pearson, T.; Planer, M.; Ruchti, R.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Smith, G.; Winer, B. L.; Wolfe, H.; Wulsin, H. W.] Ohio State Univ, Columbus, OH 43210 USA. [Driga, O.; Elmer, P.; Hebda, P.; Hunt, A.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroue, P.; Quan, X.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.] Princeton Univ, Princeton, NJ 08544 USA. [Brownson, E.; Mendez, H.; Vargas, J. E. Ramirez] Univ Puerto Rico, Mayaguez, PR USA. [Barnes, V. E.; Benedetti, D.; Bortoletto, D.; De Mattia, M.; Gutay, L.; Hu, Z.; Jha, M. K.; Jones, M.; Jung, K.; Kress, M.; Leonardo, N.; Pegna, D. Lopes; Maroussov, V.; Miller, D. H.; Neumeister, N.; Radburn-Smith, B. C.; Shi, X.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Yoo, H. D.; Zablocki, J.; Zheng, Y.] Purdue Univ, W Lafayette, IN 47907 USA. [Parashar, N.; Stupak, J.] Purdue Univ Calumet, Hammond, LA USA. [Adair, A.; Akgun, B.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Michlin, B.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; Covarelli, R.; De Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Khukhunaishvili, A.; Petrillo, G.; Vishnevskiy, D.] Univ Rochester, Rochester, MN USA. [Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Mesropian, C.] Rockefeller Univ, New York, NY 10021 USA. [Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Kaplan, S.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Salur, S.; Schnetzer, S.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.] Rutgers State Univ, Piscataway, NJ USA. [Rose, K.; Spanier, S.; York, A.] Univ Tennessee, Knoxville, TN USA. [Rose, A.; Bouhali, O.; Hernandez, A. Castaneda; Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Krutelyov, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Perloff, A.; Roe, J.; Safonov, A.; Sakuma, T.; Suarez, I.; Tatarinov, A.] Texas A&M Univ, College Stn, TX USA. [Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kovitanggoon, K.; Kunori, S.; Lee, S. W.; Libeiro, T.; Volobouev, I.] Texas Tech Univ, Lubbock, TX 79409 USA. [Mao, Y.; Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Johns, W.; Maguire, C.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.] Vanderbilt Univ, Nashville, TN 37235 USA. [Arenton, M. W.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Lin, C.; Neu, C.; Wood, J.] Univ Virginia, Charlottesville, VA USA. [Clarke, C.; Harr, R.; Karchin, P. E.; Don, C. Kottachchi Kankanamge; Lamichhane, P.; Sturdy, J.] Wayne State Univ, Detroit, MI USA. [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.; Verwilligen, P.; Vuosalo, C.; Woods, N.] Univ Wisconsin, Madison, WI USA. [Fabjan, C.; Fruehwirth, R.; Jeitler, M.; Krammer, M.; Wulz, C. -E.] Vienna Univ Technol, A-1040 Vienna, Austria. [Rabady, D.; Pernie, L.; Genchev, V.; Boudoul, G.; Contardo, D.; Lingemann, J.; Hartmann, F.; Hauth, T.; Kornmayer, A.; Mohanty, A. K.; Radogna, R.; Silvestris, L.; Giordano, F.; Gori, V.; Fiorendi, S.; Gennai, S.; Gerosa, R.; Lucchini, M. T.; Di Guida, S.; Meola, S.; Paolucci, P.; Spiezia, A.; Palla, F.; Vernieri, C.; Micheli, F.; Soffi, L.; Argiro, S.; Casasso, S.; Obertino, M. M.; Stickland, D.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. [Beluffi, C.] Univ Haute Alsace Mulhouse, Univ Strasbourg, Inst Pluridisciplinaire Hubert Curien, CNRS,IN2P3, Strasbourg, France. [Giammanco, A.] NICPB, Tallinn, Estonia. [Popov, A.; Zhukov, V.; Katkov, I.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Chinellato, J.] Univ Estadual Campinas, Campinas, SP, Brazil. [Plestina, R.; Bernet, C.] Ecole Polytech, CNRS, IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Finger, M., Jr.] Joint Inst Nucl Res, Dubna, Russia. [Assran, Y.] Suez Univ, Suez, Egypt. [Kamel, A. Ellithi] Cairo Univ, Cairo, Egypt. [Mahmoud, M. A.] Fayoum Univ, Al Fayyum, Egypt. [Radi, A.] British Univ Egypt, Cairo, Egypt. [Agram, J. -L.; Conte, E.; Fontaine, J. -C.] Univ Haute Alsace, Mulhouse, France. [Bagaturia, I.] Ilia State Univ, Tbilisi, Rep of Georgia. [Bergholz, M.; Hempel, M.; Lohmann, W.; Marfin, I.; Schmidt, R.] Brandenburg Tech Univ Cottbus, Cottbus, Germany. [Horvath, D.] Inst Nucl Res ATOMKI, Debrecen, Hungary. 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[Belyaev, A.] Univ Southampton, Sch Phys & Astron, Southampton, Hants, England. [Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia. [Milenovic, P.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Albayrak, E. A.; Ozok, F.] Mimar Sinan Univ, Istanbul, Turkey. [Bilki, B.] Argonne Natl Lab, Argonne, IL 60439 USA. [Mermerkaya, H.] Erzincan Univ, Erzincan, Turkey. [Yetkin, T.] Yildiz Tekn Univ, Istanbul, Turkey. [Bouhali, O.] Texas A&M Univ Qatar, Doha, Qatar. [Kamon, T.] Kyungpook Natl Univ, Daegu, South Korea. RP Khachatryan, V (reprint author), Yerevan Phys Inst, Yerevan 375036, Armenia. RI Mundim, Luiz/A-1291-2012; Haj Ahmad, Wael/E-6738-2016; Konecki, Marcin/G-4164-2015; Xie, Si/O-6830-2016; Leonardo, Nuno/M-6940-2016; Calderon, Alicia/K-3658-2014; Goh, Junghwan/Q-3720-2016; Ruiz, Alberto/E-4473-2011; Govoni, Pietro/K-9619-2016; Tuominen, Eija/A-5288-2017; Yazgan, Efe/C-4521-2014; Paulini, Manfred/N-7794-2014; Inst. of Physics, Gleb Wataghin/A-9780-2017; Ogul, Hasan/S-7951-2016; 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; Vilela Pereira, Antonio/L-4142-2016; Sznajder, Andre/L-1621-2016; Da Silveira, Gustavo Gil/N-7279-2014; Mora Herrera, Maria Clemencia/L-3893-2016; Dudko, Lev/D-7127-2012; KIM, Tae Jeong/P-7848-2015; Paganoni, Marco/A-4235-2016; de Jesus Damiao, Dilson/G-6218-2012; Horani, Hafeez /L-2414-2015; Calvo Alamillo, Enrique/L-1203-2014; Flix, Josep/G-5414-2012; Cerrada, Marcos/J-6934-2014; Perez-Calero Yzquierdo, Antonio/F-2235-2013; Novaes, Sergio/D-3532-2012; Della Ricca, Giuseppe/B-6826-2013; Chinellato, Jose Augusto/I-7972-2012; Ragazzi, Stefano/D-2463-2009; Grandi, Claudio/B-5654-2015; Rovelli, Tiziano/K-4432-2015; Dremin, Igor/K-8053-2015; 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; Matorras, Francisco/I-4983-2015; Gennai, Simone/P-2880-2015; TUVE', Cristina/P-3933-2015; Lokhtin, Igor/D-7004-2012; Montanari, Alessandro/J-2420-2012; VARDARLI, Fuat Ilkehan/B-6360-2013; Benussi, Luigi/O-9684-2014; Lo Vetere, Maurizio/J-5049-2012; Hernandez Calama, Jose Maria/H-9127-2015; ciocci, maria agnese /I-2153-2015; Manganote, Edmilson/K-8251-2013; Bedoya, Cristina/K-8066-2014; Marco, Jesus/B-8735-2008; My, Salvatore/I-5160-2015 OI Mundim, Luiz/0000-0001-9964-7805; Haj Ahmad, Wael/0000-0003-1491-0446; Konecki, Marcin/0000-0001-9482-4841; Xie, Si/0000-0003-2509-5731; Leonardo, Nuno/0000-0002-9746-4594; Goh, Junghwan/0000-0002-1129-2083; Ruiz, Alberto/0000-0002-3639-0368; Govoni, Pietro/0000-0002-0227-1301; Tuominen, Eija/0000-0002-7073-7767; Yazgan, Efe/0000-0001-5732-7950; Paulini, Manfred/0000-0002-6714-5787; Jacob, Jeson/0000-0001-6895-5493; Belyaev, Alexander/0000-0002-1733-4408; ORTONA, Giacomo/0000-0001-8411-2971; Giubilato, Piero/0000-0003-4358-5355; Gallinaro, Michele/0000-0003-1261-2277; Tabarelli de Fatis, Tommaso/0000-0001-6262-4685; Ulrich, Ralf/0000-0002-2535-402X; Reis, Thomas/0000-0003-3703-6624; Luukka, Panja/0000-0003-2340-4641; Ogul, Hasan/0000-0002-5121-2893; Martinez Ruiz del Arbol, Pablo/0000-0002-7737-5121; Heath, Helen/0000-0001-6576-9740; Grassi, Marco/0000-0003-2422-6736; 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; Vilela Pereira, Antonio/0000-0003-3177-4626; Sznajder, Andre/0000-0001-6998-1108; Da Silveira, Gustavo Gil/0000-0003-3514-7056; Mora Herrera, Maria Clemencia/0000-0003-3915-3170; Dudko, Lev/0000-0002-4462-3192; KIM, Tae Jeong/0000-0001-8336-2434; 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; Cerrada, Marcos/0000-0003-0112-1691; 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; Ragazzi, Stefano/0000-0001-8219-2074; Grandi, Claudio/0000-0001-5998-3070; Rovelli, Tiziano/0000-0002-9746-4842; Matorras, Francisco/0000-0003-4295-5668; TUVE', Cristina/0000-0003-0739-3153; Montanari, Alessandro/0000-0003-2748-6373; Benussi, Luigi/0000-0002-2363-8889; Lo Vetere, Maurizio/0000-0002-6520-4480; Hernandez Calama, Jose Maria/0000-0001-6436-7547; ciocci, maria agnese /0000-0003-0002-5462; Bedoya, Cristina/0000-0001-8057-9152; Marco, Jesus/0000-0001-7914-8494; My, Salvatore/0000-0002-9938-2680 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; 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; 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; 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, UK; US Department of Energy; US National Science Foundation; Marie-Curie programme; European Research Council; EPLANET (European Union); Leventis Foundation; A. P. Sloan Foundation; Alexander von Humboldt Foundation; Belgian Federal Science Policy Office; Fonds pour la Formation a la Recherche dans l'Industrie et dans l'Agriculture (FRIA-Belgium); Agentschap voor Innovatie door Wetenschap en Technologie (IWT-Belgium); Ministry of Education, Youth and Sports (MEYS) of the Czech Republic; Council of Science and Industrial Research, India; 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, UK; 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 67 TC 9 Z9 9 U1 10 U2 41 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 EI 1434-6052 J9 EUR PHYS J C JI Eur. Phys. J. C PD MAY 1 PY 2015 VL 75 IS 5 AR 186 DI 10.1140/epjc/s10052-015-3376-y PG 24 WC Physics, Particles & Fields SC Physics GA CJ7KG UT WOS:000355673300005 ER PT J AU Weise, DR Johnson, TJ Reardon, J AF Weise, David R. Johnson, Timothy J. Reardon, James TI Particulate and trace gas emissions from prescribed burns in southeastern US fuel types: Summary of a 5-year project SO FIRE SAFETY JOURNAL LA English DT Article DE Smoke; Pinus palustris; Pocosin; Spectroscopy; Wildland fire ID TRANSFORM INFRARED-SPECTROSCOPY; HYDROGEN-PEROXIDE H2O2; LONGLEAF PINE FORESTS; UNITED-STATES; FIRE BEHAVIOR; VIBRATIONAL ASSIGNMENTS; LABORATORY MEASUREMENTS; ATMOSPHERIC CHEMISTRY; SMOKE EXPOSURE; NORTH-CAROLINA AB Management of smoke from prescribed fires requires knowledge of fuel quantity and the amount and composition of the smoke produced by the fire to minimize adverse impacts on human health. A five-year study produced new emissions information for more than 100 trace gases and particulate matter in smoke for fuel types found in the southern United States of America using state-of-the-art instrumentation in both laboratory and field experiments. Emission factors for flaming, smoldering, and residual smoldering were developed. Agreement between laboratory and field-derived emission factors was generally good in most cases. Reference spectra of over 50 wildland fire gas-phase smoke components were added to a publicly-available database to support identification via infrared spectroscopy. Fuel loading for the field experiments was similar to previously measured fuels. This article summarizes the results of a five-year study to better understand the composition of smoke during all phases of burning for such forests. Published by Elsevier Ltd. C1 [Weise, David R.] US Forest Serv, USDA, Pacific Southwest Res Stn, Riverside, CA 92507 USA. [Johnson, Timothy J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Reardon, James] US Forest Serv, USDA, Rocky Mt Res Stn, Missoula, MT 59808 USA. RP Weise, DR (reprint author), US Forest Serv, USDA, Pacific Southwest Res Stn, 4955 Canyon Crest Dr, Riverside, CA 92507 USA. EM dweise@fs.fed.us; timothy.johnson@pnnl.gov; jreardon@fs.fed.us FU Department of Defense's Strategic Environmental Research and Development Program (SERDP) [RC-1649]; U.S. Department of Energy by Battelle Memorial Institute [DE-AC06-76RLO 1830] FX This work was supported by the Department of Defense's Strategic Environmental Research and Development Program (SERDP) project RC-1649 and we thank Dr. John Hall and his program for their support. Suggestions made by the SERDP Technical Advisory Committee helped to focus and expand the original project. In particular, we thank Prof. Robert J. Yokelson of the University of Montana for his many enormous contributions to this project. We also thank the several students, post-doctoral fellows and research scientists who contributed to individual components. In addition to SERDP and the Department of Defense installations, several other federal, state, and university organizations contributed to the success of this project including the National Oceanographic and Atmospheric Administration, the Environmental Protection Agency, the National Center for Atmospheric Research, Colorado State University, University of California-Riverside, Georgia Institute of Technology, North Carolina Forest Service, South Carolina Forestry Commission, the U.S. Forest Service, the Department of Energy, and the Pacific Northwest National Laboratory. PNNL is operated for the U.S. Department of Energy by the Battelle Memorial Institute under contract DE-AC06-76RLO 1830. NR 96 TC 1 Z9 1 U1 1 U2 16 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0379-7112 EI 1873-7226 J9 FIRE SAFETY J JI Fire Saf. J. PD MAY PY 2015 VL 74 BP 71 EP 81 DI 10.1016/j.firesaf.2015.02.016 PG 11 WC Engineering, Civil; Materials Science, Multidisciplinary SC Engineering; Materials Science GA CK3HV UT WOS:000356108100008 ER PT J AU Agrawal, P Batell, B Fox, PJ Harnik, R AF Agrawal, Prateek Batell, Brian Fox, Patrick J. Harnik, Roni TI WIMPs at the galactic center SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE dark matter theory; particle physics - cosmology connection; gamma ray experiments ID GAMMA-RAY EXCESS; COLD DARK-MATTER; MODEL; FERMI; EMISSION; SCALAR; MICROMEGAS; NEUTRALINO; NEUTRINO; PROGRAM AB Simple models of weakly interacting massive particles (WIMPs) predict dark matter annihilations into pairs of electroweak gauge bosons, Higgses or tops, which through their subsequent cascade decays produce a spectrum of gamma rays. Intriguingly, an excess in gamma rays coming from near the Galactic center has been consistently observed in Fermi data. A recent analysis by the Fermi collaboration confirms these earlier results. Taking into account the systematic uncertainties in the modelling of the gamma ray backgrounds, we show for the first time that this excess can be well fit by these final states. In particular, for annihilations to (WW, ZZ, hh, t (t) over bar), dark matter with mass between threshold and approximately (165, 190, 280, 310) GeV gives an acceptable fit. The fit range for b (b) over bar is also enlarged to 35 GeV less than or similar to m(chi) less than or similar to 165 GeV. These are to be compared to previous fits that concluded only much lighter dark matter annihilating into b, tau, and light quark fi nal states could describe the excess. We demonstrate that simple, well-motivated models of WIMP dark matter including a thermal-relic neutralino of the MSSM, Higgs portal models, as well as other simplified models can explain the excess. C1 [Agrawal, Prateek; Fox, Patrick J.; Harnik, Roni] Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. [Batell, Brian] CERN, Div Theory, CH-1211 Geneva 23, Switzerland. RP Agrawal, P (reprint author), Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. EM prateek@fnal.gov; brian.batell@cern.ch; pjfox@fnal.gov; roni@fnal.gov FU CERN COFUND fellowship; National Science Foundation [PHYS-1066293]; Fermi Research Alliance, LLC [DE-AC02-07CH11359]; United States Department of Energy FX We thank Marco Cirelli, Antonio Delgado, Rouven Essig, Ramona Grober, Jack Kearney, Dan Hooper, Travis Martin, Sunghoon Jung, Tracy Slatyer, and Tim Tait for useful discussions and correspondence. We especially thank Ilias Cholis and Christoph Weniger for numerous discussions and information about their recent work [13], and Simona Murgia for discussions about the Fermi analysis [14]. Fermilab is operated by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the United States Department of Energy. B.B. is supported in part by a CERN COFUND fellowship. This work was supported in part by the National Science Foundation under Grant No. PHYS-1066293 and the hospitality of the Aspen Center for Physics. NR 149 TC 49 Z9 49 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 MAY PY 2015 IS 5 AR 011 DI 10.1088/1475-7516/2015/05/011 PG 34 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CJ9AN UT WOS:000355794800011 ER PT J AU Bautista, JE Bailey, S Font-Ribera, A Pieri, MM Busca, NG Miralda-Escude, J Palanque-Delabrouille, N Rich, J Dawson, K Feng, Y Ge, J Gontcho, SGA Ho, S Le Goff, JM Noterdaeme, P Paris, I Rossi, G Schlegel, D AF Bautista, Julian E. Bailey, Stephen Font-Ribera, Andreu Pieri, Matthew M. Busca, Nicolas G. Miralda-Escude, Jordi Palanque-Delabrouille, Nathalie Rich, James Dawson, Kyle Feng, Yu Ge, Jian Gontcho, Satya A. Gontcho Ho, Shirley Le Goff, Jean Marc Noterdaeme, Pasquier Paris, Isabelle Rossi, Graziano Schlegel, David TI Mock Quasar-Lyman-alpha forest data-sets for the SDSS-III Baryon Oscillation Spectroscopic Survey SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE redshift surveys; Lyman alpha forest; baryon acoustic oscillations ID GRAVITATIONAL COLLAPSE; REDSHIFT; ABSORBERS; SPECTRUM; SYSTEMS AB We describe mock data-sets generated to simulate the high-redshift quasar sample in Data Release 11 (DR11) of the SDSS-III Baryon Oscillation Spectroscopic Survey (BOSS). The mock spectra contain Ly alpha forest correlations useful for studying the 3D correlation function including Baryon Acoustic Oscillations (BAO). They also include astrophysical effects such as quasar continuum diversity and high-density absorbers, instrumental effects such as noise and spectral resolution, as well as imperfections introduced by the SDSS pipeline treatment of the raw data. The Ly alpha forest BAO analysis of the BOSS collaboration, described in Delubac et al. 2014, has used these mock data-sets to develop and cross-check analysis procedures prior to performing the BAO analysis on real data, and for continued systematic cross checks. Tests presented here show that the simulations reproduce sufficiently well important characteristics of real spectra. These mock data-sets will be made available together with the data at the time of the Data Release 11. C1 [Bautista, Julian E.; Busca, Nicolas G.; Rich, James] Univ Paris 07, CEA, Observ Paris, APC,CNRS,IN2P3, Paris, France. [Bautista, Julian E.; Dawson, Kyle] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Bailey, Stephen; Font-Ribera, Andreu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Pieri, Matthew M.] Aix Marseille Univ, CNRS, LAM, UMR 7326, Marseille, France. [Pieri, Matthew M.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Busca, Nicolas G.] Observ Nacl, BR-20921400 Rio De Janeiro, RJ, Brazil. [Busca, Nicolas G.] LIneA, BR-20921400 Rio De Janeiro, RJ, Brazil. [Miralda-Escude, Jordi; Gontcho, Satya A. Gontcho] Univ Barcelona, IEEC, Inst Ciencies Cosmos, E-08028 Barcelona, Catalonia, Spain. [Miralda-Escude, Jordi] Inst Catalana Recerca & Estudis Avancats, Barcelona, Catalonia, Spain. [Palanque-Delabrouille, Nathalie; Rich, James; Le Goff, Jean Marc] CEA, Ctr Saclay, Irfu, SPP, F-91191 Gif Sur Yvette, France. [Feng, Yu; Ho, Shirley] Carnegie Mellon Univ, McWilliams Ctr Cosmol, Pittsburgh, PA 15213 USA. [Ge, Jian] Univ Florida, Department Astron, Gainesville, FL 32611 USA. [Noterdaeme, Pasquier; Paris, Isabelle] Univ Paris 06, F-75014 Paris, France. [Rossi, Graziano] CNRS, Inst Astrophys Paris, F-75014 Paris, France. [Noterdaeme, Pasquier; Paris, Isabelle] Sejong Univ, Dept Astron & Space Sci, Seoul 143747, South Korea. RP Bautista, JE (reprint author), Univ Paris 07, CEA, Observ Paris, APC,CNRS,IN2P3, 10 Rue A Domon & L Duquet, Paris, France. EM bautista@astro.utah.edu FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; Agence Nationale de la Recherche [ANR-08-BLAN-0222]; European Union Seventh Framework Programme (FP7) [PIIF-GA-2011-301665]; A*MIDEX project - "Investissements d'Avenir" French Government program [ANR-11-IDEX-0001-02]; Alfred P. Sloan Foundation; National Science Foundation; U.S. Department of Energy Office of Science; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; University of Cambridge; Carnegie Mellon University; University of Florida; French Participation Group; German Participation Group; Harvard University; Instituto de Astrofisica de Canarias; Michigan State/Notre Dame/JINA Participation Group; Johns Hopkins University; Lawrence Berkeley National Laboratory; Max Planck Institute for Astrophysics; Max Planck Institute for Extraterrestrial Physics; New Mexico State University; New York University; Ohio State University; Pennsylvania State University; University of Portsmouth; Princeton University; Spanish Participation Group; University of Tokyo; University of Utah; Vanderbilt University; University of Virginia; University of Washington; Yale University FX 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.; This project was supported by the Agence Nationale de la Recherche under contract ANR-08-BLAN-0222. The research leading to these results has received funding from the European Union Seventh Framework Programme (FP7/2007-2013) under grant agreement n [PIIF-GA-2011-301665].; This work has been carried out thanks to the support of the A*MIDEX project (ANR-11-IDEX-0001-02) funded by the "Investissements d'Avenir" French Government program, managed by the French National Research Agency (ANR).; Funding for SDSS-III has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, and the U.S. Department of Energy Office of Science. The SDSS-III web site is http://www.sdss3.org/.; SDSS-III is managed by the Astrophysical Research Consortium for the Participating Institutions of the SDSS-III Collaboration including the University of Arizona, the Brazilian Participation Group, Brookhaven National Laboratory, University of Cambridge, Carnegie Mellon University, University of Florida, the French Participation Group, the German Participation Group, Harvard University, the Instituto de Astrofisica de Canarias, the Michigan State/Notre Dame/JINA Participation Group, Johns Hopkins University, Lawrence Berkeley National Laboratory, Max Planck Institute for Astrophysics, Max Planck Institute for Extraterrestrial Physics, New Mexico State University, New York University, Ohio State University, Pennsylvania State University, University of Portsmouth, Princeton University, the Spanish Participation Group, University of Tokyo, University of Utah, Vanderbilt University, University of Virginia, University of Washington, and Yale University. NR 31 TC 5 Z9 5 U1 2 U2 5 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 MAY PY 2015 IS 5 AR 060 DI 10.1088/1475-7516/2015/05/060 PG 31 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CJ9AN UT WOS:000355794800060 ER PT J AU Bielefeld, J Huterer, D Linder, EV AF Bielefeld, Jannis Huterer, Dragan Linder, Eric V. TI Cosmological leverage from the matter power spectrum in the presence of baryon and nonlinear effects SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE cosmological parameters from LSS; power spectrum; neutrino masses from cosmology ID WEAK-LENSING SURVEYS; REDSHIFT SURVEYS; HALO MODEL; IMPACT AB We investigate how the use of higher wavenumbers (smaller scales) in the galaxy clustering power spectrum influences cosmological constraints. We take into account uncertainties from nonlinear density fluctuations, (scale dependent) galaxy bias, and baryonic effects. Allowing for substantially model independent uncertainties through separate fit par ameters in each wavenumber bin that also allow for the redshift evolution, we quantify strong gains in dark energy and neutrino mass leverage with increasing maximum wavenumber,despite marginalizing over numerous (up to 125) extra fit parameters. The leverage is due to not only an increased number of modes but, more significantly, breaking of degeneracies beyond the linear regime. C1 [Bielefeld, Jannis] Dartmouth Coll, Dept Phys & Astron, Hanover, NH 03755 USA. [Huterer, Dragan] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Linder, Eric V.] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA. [Linder, Eric V.] Univ Calif Berkeley, Berkeley Lab, Berkeley, CA 94720 USA. RP Bielefeld, J (reprint author), Dartmouth Coll, Dept Phys & Astron, Hanover, NH 03755 USA. EM jannis.bielefeld@dartmouth.edu; huterer@umich.edu; evlinder@lbl.gov FU DOE grant [DE-SC0010386, DE-FG02-95ER40899, DE-SC-0007867, DE-AC02-05CH11231]; NSF [AST-0807564]; NASA FX JB thanks LBNL for hospitality during part of this work. His work has been supported in part by the DOE grant DE-SC0010386 at Dartmouth. DH is supported by the DOE grant under contract DE-FG02-95ER40899 and NSF under contract AST-0807564. EL is supported in part by DOE grant DE-SC-0007867 and DE-AC02-05CH11231, and NASA. NR 31 TC 2 Z9 2 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 MAY PY 2015 IS 5 AR 023 DI 10.1088/1475-7516/2015/05/023 PG 16 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CJ9AN UT WOS:000355794800023 ER PT J AU Grohs, E Fuller, GM Kishimoto, CT Paris, MW AF Grohs, E. Fuller, George M. Kishimoto, Chad T. Paris, Mark W. TI Probing neutrino physics with a self-consistent treatment of the weak decoupling, nucleosynthesis, and photon decoupling epochs SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE cosmological parameters from CMBR; big bang nucleosynthesis; cosmological neutrinos; neutrino masses from cosmology ID BIG-BANG NUCLEOSYNTHESIS; HEAVY STERILE NEUTRINOS; PRIMORDIAL ABUNDANCE; HIGH TEMPERATURES; RECOMBINATION; UNIVERSE; ELEMENTS; SEARCH; ANISOTROPIES; OSCILLATIONS AB We show that a self-consistent and coupled treatment of the weak decoupling, big bang nucleosynthesis, and photon decoupling epochs can be used to provide new insights and constraints on neutrino sector physics from high-precision measurements of light element abundances and Cosmic Microwave Background observables. Implications of beyond-standard-model physics in cosmology, especially within the neutrino sector, are assessed by comparing predictions against five observables: the baryon energy density, helium abundance, deuterium abundance, effective number of neutrinos, and sum of the light neutrino mass eigenstates. We give examples for constraints on dark radiation, neutrino rest mass, lepton numbers, and scenarios for light and heavy sterile neutrinos. C1 [Grohs, E.; Kishimoto, Chad T.; Paris, Mark W.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Paris, Mark W.] Univ San Diego, Dept Phys, San Diego, CA 92110 USA. Los Alamos Natl Lab, Div Theoret, Nucl & Particle Phys Astrophys & Cosmol T2, Los Alamos, NM 87545 USA. RP Grohs, E (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. EM egrohs@physics.ucsd.edu; gfuller@ucsd.edu; ckishimo@physics.ucsd.edu; mparis@lanl.gov OI Paris, Mark/0000-0003-0471-7896 FU NSF at UC San Diego [PHY-1307372]; Los Alamos National Laboratory Institute for Geophysics, Space Sciences and Signatures subcontracts; National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX We would like to acknowledge the Institutional Computing Program at Los Alamos National Laboratory for use of their HPC cluster resources. EG acknowledges the San Diego Supercomputer Center for their use of HPC resources and helpful technical support. This work was supported in part by NSF grant PHY-1307372 at UC San Diego, by the Los Alamos National Laboratory Institute for Geophysics, Space Sciences and Signatures subcontracts, and the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. We thank Lauren Gilbert, Jeremy Ariche, and J.J. Cherry for helpful discussions. NR 84 TC 8 Z9 8 U1 1 U2 3 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 MAY PY 2015 IS 5 AR 017 DI 10.1088/1475-7516/2015/05/017 PG 30 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CJ9AN UT WOS:000355794800017 ER PT J AU Ho, S Agarwal, N Myers, AD Lyons, R Disbrow, A Seo, HJ Ross, A Hirata, C Padmanabhan, N O'Connell, R Huff, E Schlegel, D Slosar, A Weinberg, D Strauss, M Ross, NP Schneider, DP Bahcall, N Brinkmann, J Palanque-Delabrouille, N Yeche, C AF Ho, Shirley Agarwal, Nishant Myers, Adam D. Lyons, Richard Disbrow, Ashley Seo, Hee-Jong Ross, Ashley Hirata, Christopher Padmanabhan, Nikhil O'Connell, Ross Huff, Eric Schlegel, David Slosar, Anze Weinberg, David Strauss, Michael Ross, Nicholas P. Schneider, Donald P. Bahcall, Neta Brinkmann, J. Palanque-Delabrouille, Nathalie Yeche, Christophe TI Sloan Digital Sky Survey III photometric quasar clustering: probing the initial conditions of the Universe SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE power spectrum; redshift surveys; inflation; cosmological parameters from LSS ID OSCILLATION SPECTROSCOPIC SURVEY; PRIMORDIAL NON-GAUSSIANITY; MICROWAVE-ANISOTROPY-PROBE; LUMINOUS RED GALAXIES; EXCURSION SET APPROACH; SURVEY IMAGING DATA; SDSS-III; POWER SPECTRUM; DATA RELEASE; CLASSIFIED QUASARS AB The Sloan Digital Sky Survey has surveyed 14,555 square degrees of the sky, and delivered over a trillion pixels of imaging data. We present the large-scale clustering of 1.6 million quasars between z = 0 : 5 and z = 2 : 5 that have been classified from this imaging, representing the highest density of quasars ever studied for clustering measurements. This data set spans similar to 11; 000 square degrees and probes a volume of 80 h(-3) Gpc(3). In principle, such a large volume and medium density of tracers should facilitate high-precision cosmological constraints. We measure the angular clustering of photometrically classified quasars using an optimal quadratic estimator in four redshiftslices with an accuracy of similar to 25% over a bin width of delta(l) similar to 10 - 15 on scales corresponding to matter-radiation equality and larger (l similar to 2 30). Observational systematics can strongly bias clustering measurements on large scales, which can mimic cosmologically relevant signals such as deviations from Gaussianity in the spectrum of primordial perturbations. We account for systematics by employing a new method recently proposed by Agarwal et al. (2014) to the clustering of photometrically classified quasars. We carefully apply our methodology to mitigate known observational systematics and further remove angular bins that are contaminated by unknown systematics. Combining quasar data with the photometric luminous red galaxy (LRG) sample of Ross et al. (2011) and Ho et al. (2012), and marginalizing over all bias and shot noise-like parameters, we obtain a constraint on local primordial non-Gaussianity of f(NL) = 113(-154)(+154) (1 sigma error). We next assume that the bias of quasar and galaxy distributions can be obtained independently from quasar/galaxy-CMB lensing cross-correlation measurements (such as those in Sherwin et al. (2013)). This can be facilitated by spectroscopic observations of the sources, enabling the redshift distribution to be completely determined, and allowing precise estimates of the bias parameters. In this paper, if the bias and shot noise parameters are fixed to their known values (which we model by fixing them to their best-fit Gaussian values), we find that the error bar reduces to 1 sigma similar or equal to 65. We expect this error bar to reduce further by at least another factor of five if the data is free of any observational systematics. We therefore emphasize that in order to make best use of large scale structure data we need an accurate modeling of known systematics, a method to mitigate unknown systematics, and additionally independent theoretical models or observations to probe the bias of dark matter halos. C1 [Ho, Shirley; Agarwal, Nishant; Lyons, Richard; Disbrow, Ashley; O'Connell, Ross] Carnegie Mellon Univ, McWilliams Ctr Cosmol, Dept Phys, Pittsburgh, PA 15213 USA. [Myers, Adam D.] Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA. [Myers, Adam D.] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Seo, Hee-Jong; Schlegel, David; Ross, Nicholas P.] Lawrence Berkeley Natl Lab, Berkeley, CA 94702 USA. [Ross, Ashley] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Hirata, Christopher; Huff, Eric; Weinberg, David] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Hirata, Christopher] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Padmanabhan, Nikhil] Yale Univ, Dept Phys & Astron, New Haven, CT 06520 USA. [Slosar, Anze] Brookhaven Natl Lab, Upton, NY 11375 USA. [Strauss, Michael; Bahcall, Neta] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Ross, Nicholas P.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. [Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Brinkmann, J.] Apache Point Observ, Sunspot, NM 88349 USA. [Palanque-Delabrouille, Nathalie; Yeche, Christophe] CEA, Ctr Saclay, Irfu SPP, F-91191 Gif Sur Yvette, France. RP Ho, S (reprint author), Carnegie Mellon Univ, McWilliams Ctr Cosmol, Dept Phys, 5000 Forbes Ave, Pittsburgh, PA 15213 USA. EM shirleyh@andrew.cmu.edu FU New Frontiers in Astronomy and Cosmology program at the John Templeton Foundation; RESCEU fellowship; Seaborg and Chamberlain Fellowship (via Lawrence Berkeley National Laboratory); McWilliams fellowship of the Bruce; Astrid McWilliams Center for Cosmology; NSF [1211112]; NASA ADAP award [NNX12AE38G]; Alfred P. Sloan Foundation; National Science Foundation; U.S. Department of Energy Office of Science; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; University of Cambridge; Carnegie Mellon University; University of Florida; French Participation Group; German Participation Group; Instituto de Astrofisica de Canarias; Michigan State/Notre Dame/JINA Participation Group; Johns Hopkins University; Lawrence Berkeley National Laboratory; Max Planck Institute for Astrophysics; New Mexico State University; New York University; Ohio State University; Pennsylvania State University; University of Portsmouth; Princeton University; Spanish Participation Group; University of Tokyo; University of Utah; Vanderbilt University; University of Virginia; University of Washington; Yale University FX S. H. is partially supported by the New Frontiers in Astronomy and Cosmology program at the John Templeton Foundation and was partially supported by RESCEU fellowship, and the Seaborg and Chamberlain Fellowship (via Lawrence Berkeley National Laboratory) during the preparation of this manuscript. N. A. is supported by the McWilliams fellowship of the Bruce and Astrid McWilliams Center for Cosmology. A. D. M. is a research fellow of the Alexander von Humboldt Foundation of Germany and was partially supported through NSF Grant 1211112 and NASA ADAP award NNX12AE38G. N. A. and R. O. are both partially supported by the New Frontiers in Astronomy and Cosmology program at the John Templeton Foundation.; Funding for SDSS-III has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, and the U.S. Department of Energy Office of Science. The SDSS-III web site is http://www.sdss3.org/.SDSS-III is managed by the Astrophysical Research Consortium for the Participating Institutions of the SDSS-III Collaboration including the University of Arizona, the Brazilian Participation Group, Brookhaven National Laboratory, University of Cambridge, Carnegie Mellon University, University of Florida, the French Participation Group, the German Participation Group, the Instituto de Astrofisica de Canarias, the Michigan State/Notre Dame/JINA Participation Group, Johns Hopkins University, Lawrence Berkeley National Laboratory, Max Planck Institute for Astrophysics, New Mexico State University, New York University, Ohio State University, Pennsylvania State University, University of Portsmouth, Princeton University, the Spanish Participation Group, University of Tokyo, University of Utah, Vanderbilt University, University of Virginia, University of Washington, and Yale University. NR 146 TC 6 Z9 6 U1 0 U2 2 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 MAY PY 2015 IS 5 AR 040 DI 10.1088/1475-7516/2015/05/040 PG 36 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CJ9AN UT WOS:000355794800040 ER PT J AU Lewandowski, M Perko, A Senatore, L AF Lewandowski, Matthew Perko, Ashley Senatore, Leonardo TI Analytic prediction of baryonic effects from the EFT of large scale structures SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE power spectrum; cosmological parameters from LSS; dark matter theory ID PERTURBATION-THEORY; FEEDBACK; SIMULATIONS; PHYSICS; MATTER AB The large scale structures of the universe will likely be the next leading source of cosmological information. It is therefore crucial to understand their behavior. The Effective Field Theory of Large Scale Structures provides a consistent way to perturbatively predict the clustering of dark matter at large distances. The fact that baryons move distances comparable to dark matter allows us to infer that baryons at large distances can be described in a similar formalism: the backreaction of short-distance non-linearities and of star-formation physics at long distances can be encapsulated in an effective stress tensor, characterized by a few parameters. The functional form of baryonic effects can therefore be predicted. In the power spectrum the leading contribution goes as alpha k(2)P(k), with P(k) being the linear power spectrum and with the numerical prefactor depending on the details of the star-formation physics. We also perform the resummation of the contribution of the long-wavelength displacements, allowing us to consistently predict the effect of the relative motion of baryons and dark matter. We compare our predictions with simulations that contain several implementations of baryonic physics, finding percent agreement up to relatively high wavenumbers such as k similar or equal to 0.3 hMpc(-1) or k similar or equal to 0.6 hMpc(-1), depending on the order of the calculation. Our results open a novel way to understand baryonic effects analytically, as well as to interface with simulations. C1 [Lewandowski, Matthew; Perko, Ashley; Senatore, Leonardo] Stanford Univ, Stanford Inst Theoret Phys, Stanford, CA 94306 USA. [Lewandowski, Matthew; Senatore, Leonardo] Dept Phys, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA. [Lewandowski, Matthew; Senatore, Leonardo] SLAC, Menlo Pk, CA 94025 USA. RP Lewandowski, M (reprint author), Stanford Univ, Stanford Inst Theoret Phys, Stanford, CA 94306 USA. EM mattlew@stanford.edu; perko@stanford.edu; senatore@stanford.edu FU NSF through the GRF program; Gabilan Stanford Graduate Fellowship; DOE Early Career Award [DE-FG02-12ER41854]; National Science Foundation [PHY-1068380]; Munich Institute for Astro- and Particle Physics (MIAPP) of the DFG cluster of excellence "Origin and Structure of the Universe" FX We are greatly indebted to T, Abel, J. Schaye and M. P. van Daalen for providing us with the data of their simulations. We thank T. Abel, S. Allen, S. Foreman H. Peiris, R. Sheth, D. Spergel, R. Teyssier, and M. Zaldarriaga for conversations, S. Foreman for sharing some of his Mathematica codes, and T. Abel, S. Allen, N. Arkani-Hamed, P. Creminelli, L. Dixon, H. Peiris, J. Polchinski, R. Rattazzi, N. Seiberg, R. Sheth, E. Silverstein, D. Spergel, R. Teyssier, R. Wechsler, M. Wise and M. Zaldarriaga for encouragement. M. L. acknowledges support from the NSF through the GRF program. A. P. is supported by the Gabilan Stanford Graduate Fellowship. L. S. is supported by by DOE Early Career Award DE-FG02-12ER41854 and the National Science Foundation under PHY-1068380. This research was supported by the Munich Institute for Astro- and Particle Physics (MIAPP) of the DFG cluster of excellence "Origin and Structure of the Universe". NR 37 TC 9 Z9 9 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 MAY PY 2015 IS 5 AR 019 DI 10.1088/1475-7516/2015/05/019 PG 35 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA CJ9AN UT WOS:000355794800019 ER PT J AU Liu, C Thompson, DG AF Liu, C. Thompson, D. G. TI Mechanical response and failure of High Performance Propellant (HPP) subject to uniaxial tension SO MECHANICS OF TIME-DEPENDENT MATERIALS LA English DT Article DE High Performance Propellant (HPP); Uniaxial tension; Strain rate effect; Temperature effect; Failure; DIC ID MOLECULAR-WEIGHT; TEMPERATURE AB As part of a program to characterize and understand the mechanical response and failure behavior of the High Performance Propellant (HPP), uniaxial tensile tests were conducted. The mechanical properties of the HPP solid propellant subject to tension are investigated as a function of both the loading (strain) rate and the temperature. The nominal strain rate varies from 10(-6) to 10(-2) s(-1) and the temperature varies from -50 to 50 degrees C. Digital image correlation (DIC) technique was used to obtain the full field deformation measurement over the sample surface, from which both the axial strain and the circumferential strain were determined, and as a result, volume changes during the uniaxial tension were studied. Some of the material parameters, e.g., Young's modulus E, the tensile strength sigma(max), and uniaxial tensile strain at the maximum tensile stress epsilon(max), were found to be extremely sensitive to both the strain rate and the temperature. It was also observed that during the linear portion of the uniaxial tension, the HPP is close to incompressible. But when deformation enters the nonlinear regime, volume change of the sample accelerates and such a significant volume increase during the nonlinear portion of the deformation can be attributed to the formation and extension of damage within the gage section, which lead to the macroscopic tearing failure of the material. C1 [Liu, C.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Thompson, D. G.] Los Alamos Natl Lab, Weap Experiments Div, Los Alamos, NM 87545 USA. RP Liu, C (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM cliu@lanl.gov FU DoD/DOE Joint Munitions Program; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX This work was funded by the DoD/DOE Joint Munitions Program. This work benefited from many discussions with DoD researchers through the Technical Coordination Group 1 (TCG-1). Thanks are due to the TCG-1 DoD Leadership: K. Vanden (AFRL, Eglin), D. Carlucci (ARDEC, Picatinny) and C. Dyka (NSWC, Dahlgren), and to IM Initiative and US-UK PA Lead, S. Collignon (NSWC-Dahlgren and OSD). Finally, special thanks are due to J. Neidert (AMRDEC, Redstone Arsenal) as the primary DoD technical lead to this work. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 13 TC 1 Z9 2 U1 1 U2 10 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1385-2000 EI 1573-2738 J9 MECH TIME-DEPEND MAT JI Mech. Time-Depend. Mater. PD MAY PY 2015 VL 19 IS 2 BP 95 EP 115 DI 10.1007/s11043-015-9254-z PG 21 WC Mechanics; Materials Science, Characterization & Testing SC Mechanics; Materials Science GA CK2NH UT WOS:000356047000001 ER PT J AU McCutchan, EA AF McCutchan, E. A. TI Nuclear Data Sheets for A=180 SO NUCLEAR DATA SHEETS LA English DT Article ID ACTIVATION CROSS-SECTIONS; NEUTRON-DEFICIENT ISOTOPES; GIANT-DIPOLE RESONANCE; RARE-EARTH NUCLEI; INTERNAL-CONVERSION COEFFICIENTS; REDUCED TRANSITION-PROBABILITIES; GROUND-STATE TRANSITIONS; QUADRUPOLE-MOMENT RATIOS; YRAST-YRARE INTERACTION; GAMMA-RAY SPECTROSCOPY AB Spectroscopic data for all nuclei with mass number A=180 have been evaluated, and the corresponding level schemes from radioactive decay and reaction studies are presented. C1 Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. RP McCutchan, EA (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. FU Office of Nuclear Physics, Office of Science, US Department of Energy [DE-AC02-98CH10946] FX Research sponsored by Office of Nuclear Physics, Office of Science, US Department of Energy, under contract DE-AC02-98CH10946. NR 506 TC 3 Z9 3 U1 2 U2 12 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0090-3752 EI 1095-9904 J9 NUCL DATA SHEETS JI Nucl. Data Sheets PD MAY-JUN PY 2015 VL 126 BP 151 EP 372 DI 10.1016/j.nds.2015.05.002 PG 222 WC Physics, Nuclear SC Physics GA CK1IV UT WOS:000355961900002 ER PT J AU Chen, J Kondev, FG AF Chen, J. Kondev, F. G. TI Nuclear Data Sheets for A=209 SO NUCLEAR DATA SHEETS LA English DT Article ID ISOBARIC ANALOG RESONANCES; INELASTIC PROTON-SCATTERING; CAPTURE GAMMA-RAYS; ION TRANSFER-REACTIONS; HIGH-SPIN ISOMERS; ELASTIC ELECTRON-SCATTERING; HIGH-RESOLUTION MEASUREMENT; NEUTRON-DEFICIENT ISOTOPES; SINGLE-PARTICLE STRENGTHS; LINE ALPHA SPECTROSCOPY AB The experimental data are evaluated for known nuclides of mass number A=209 (Au,Hg,TI,Pb,Bi,Po,At,Rn, Fr,Ra,Ac,Th). Detailed evaluated level properties and related nuclear structure information are presented, with the best values recommended for level energies, half lives, gamma-ray energies and intensities, decay data (energies, intensities and placement of radiations), and other spectroscopic data. This work supersedes the earlier full evaluation of A=209 by M.J. Martin (1991Ma16). C1 [Chen, J.; Kondev, F. G.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Chen, J (reprint author), Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. OI Chen, Jun/0000-0003-0447-7466 FU Office of Nuclear Physics, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357] FX This work is supported by the Office of Nuclear Physics, Office of Science, U.S. Department of Energy under contract DE-AC02-06CH11357. NR 492 TC 5 Z9 5 U1 1 U2 4 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0090-3752 EI 1095-9904 J9 NUCL DATA SHEETS JI Nucl. Data Sheets PD MAY-JUN PY 2015 VL 126 BP 373 EP 546 DI 10.1016/j.nds.2015.05.003 PG 174 WC Physics, Nuclear SC Physics GA CK1IV UT WOS:000355961900003 ER PT J AU Galloway, J Unal, C Carlson, N Porter, D Hayes, S AF Galloway, J. Unal, C. Carlson, N. Porter, D. Hayes, S. TI Modeling constituent redistribution in U-Pu-Zr metallic fuel using the advanced fuel performance code BISON SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID FAST-REACTOR FUELS; BEHAVIOR; ALLOYS; IRRADIATION; VALIDATION; NP AB An improved robust formulation for constituent distribution in metallic nuclear fuels is developed and implemented into the advanced fuel performance framework BISON. The coupled thermal diffusion equations are solved simultaneously to reanalyze the constituent redistribution in post irradiation data from fuel tests performed in Experimental Breeder Reactor-II (EBR-II). Deficiencies observed in previously published formulation and numerical implementations are also improved. The present model corrects an inconsistency between the enthalpies of solution and the solubility limit curves of the phase diagram while also adding an artificial diffusion term when in the 2-phase regime that stabilizes the standard Galerkin finite element (FE) method used by BISON. An additional itnprovement is in the formulation of zirconium flux as it relates to the Soret term. With these new modifications, phase dependent diffusion coefficients are revaluated and compared with the previously recommended values. The model validation included testing against experimental data from fuel pins T179, DPI 6 and T459, irradiated in EBR-II. A series of viable material properties for U-Pu-Zr based materials was determined through a sensitivity study, which resulted in three cases with differing parameters that showed strong agreement with one set of experimental data, rod T179. Subsequently a full-scale simulation of T179 was performed to reduce uncertainties, particularly relating to the temperature boundary condition for the fuel. In addition a new thermal conductivity model combining all available data covering 0-100% zirconium concentration and a zirconium concentration dependent linear heat rate solution derived from Monte Carlo N-Particle (MCNP) simulations were developed. An iterative calibration process was applied to obtain optimized diffusion coefficients for U-Pu-Zr metallic fuels. Optimized diffusion coefficients suggest relative improvements in comparison to previous reported values. The most influential or uncertain phase is found to be the gamma phase, followed by alpha phase, and thirdly the beta phase; indicating separate effect testing should concentrate on these phases. (C) 2015 Elsevier B.V. All rights reserved. C1 [Galloway, J.; Unal, C.; Carlson, N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Porter, D.; Hayes, S.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Unal, C (reprint author), Los Alamos Natl Lab, POB 1663,Mail Stop F606, Los Alamos, NM 87545 USA. EM cu@lanl.gov RI Hayes, Steven/D-8373-2017 OI Hayes, Steven/0000-0002-7583-2069 NR 34 TC 0 Z9 0 U1 1 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2015 VL 286 BP 1 EP 17 DI 10.1016/j.nucengdes.2015.01.014 PG 17 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CK3NY UT WOS:000356124000001 ER PT J AU Kadioglu, SY Berry, RA Martineau, RC AF Kadioglu, Samet Y. Berry, Ray A. Martineau, Richard C. TI A point implicit time integration technique for slow transient flow problems SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID EXPLICIT METHODS; EQUATIONS AB We introduce a point implicit time integration technique for slow transient flow problems. The method treats the solution variables of interest (that can be located at cell centers, cell edges, or cell nodes) implicitly and the rest of the information related to same or other variables are handled explicitly. The method does not require implicit iteration; instead it time advances the solutions in a similar spirit to explicit methods, except it involves a few additional function(s) evaluation steps. Moreover, the method is unconditionally stable, as a fully implicit method would be. This new approach exhibits the simplicity of implementation of explicit methods and the stability of implicit methods. It is specifically designed for slow transient flow problems of long duration wherein one would like to perform time integrations with very large time steps. Because the method can be time inaccurate for fast transient problems, particularly with larger time steps, an appropriate solution strategy for a problem that evolves from a fast to a slow transient would be to integrate the fast transient with an explicit or semi-implicit technique and then switch to this point implicit method as soon as the time variation slows sufficiently. We have solved several test problems that result from scalar or systems of flow equations. Our findings indicate the new method can integrate slow transient problems very efficiently; and its implementation is very robust. (C) 2015 Elsevier B.V. All rights reserved. C1 [Kadioglu, Samet Y.] Yildiz Tekn Univ, Dept Engn Math, TR-34210 Istanbul, Turkey. [Berry, Ray A.; Martineau, Richard C.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Berry, RA (reprint author), Idaho Natl Lab, POB 1625,MS 3840, Idaho Falls, ID 83415 USA. EM kadioglu@yildiz.edu.tr; ray.berry@inl.gov FU U.S. Government [DEAC07-05ID14517] FX The submitted manuscript has been authored by a contractor of the U.S. Government under Contract No. DEAC07-05ID14517. Accordingly, the U.S. Government retains a non-exclusive, 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 23 TC 2 Z9 2 U1 1 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD MAY PY 2015 VL 286 BP 130 EP 138 DI 10.1016/j.nucengdes.2015.02.002 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CK3NY UT WOS:000356124000013 ER PT J AU Leander, R Lenhart, S Protopopescu, V AF Leander, Rachel Lenhart, Suzanne Protopopescu, Vladimir TI Controlling synchrony in a network of Kuramoto oscillators with time-varying coupling SO PHYSICA D-NONLINEAR PHENOMENA LA English DT Article DE Synchrony; Time-varying coupling; Kuramoto oscillators AB The Kuramoto model describes the synchronization of a heterogeneous population of oscillators through a stationary homogeneous network in which oscillators are coupled via their phase differences. Recently, there has been interest in studying synchronization on time-varying networks, and time-varying generalizations of the Kuramoto network, in particular. Previous results indicate that networks with fast dynamics may be as efficient as static networks at promoting synchrony. In this paper we use optimal control theory to study synchronization on a time-varying Kuramoto network. Our results indicate that time-varying networks can be more efficient than static networks at promoting synchrony and show that fast network dynamics are not necessary for efficiency. In particular, we show that, near the synchronization threshold, time-varying networks can promote synchrony through slow oscillations that lengthen the duration of high synchrony states and shorten the duration of low synchrony states. Interestingly, repulsion is an essential feature of these optimal dynamic networks. (C) 2015 Elsevier B.V. All rights reserved. C1 [Leander, Rachel] Middle Tennessee State Univ, Dept Math Sci, Murfreesboro, TN 37132 USA. [Lenhart, Suzanne] Univ Tennessee, Dept Math, Knoxville, TN 37996 USA. [Protopopescu, Vladimir] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. RP Leander, R (reprint author), Middle Tennessee State Univ, Dept Math Sci, Murfreesboro, TN 37132 USA. EM rachel.leander@mtsu.edu; lenhart@utk.edu; protopopesva@ornl.gov FU National Institute for Mathematical and Biological Synthesis; National Science Foundation; US Department of Homeland Security; US Department of Agriculture through NSF [EF-0832858]; University of Tennessee; University of Tennessee Center for Business and Economic Research; UT-Battelle, LLC for the US Department of Energy [DE-ACO5-000R22725] FX The work of Lenhart and Leander was partially supported by the National Institute for Mathematical and Biological Synthesis, sponsored by the National Science Foundation, the US Department of Homeland Security, and the US Department of Agriculture through NSF Award EF-0832858. Lenhart's work receives additional support from The University of Tennessee. Lenhart is also partially supported by the University of Tennessee Center for Business and Economic Research. The Oak Ridge National Laboratory is managed by UT-Battelle, LLC for the US Department of Energy under contract DE-ACO5-000R22725. NR 14 TC 1 Z9 1 U1 2 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2789 EI 1872-8022 J9 PHYSICA D JI Physica D PD MAY 1 PY 2015 VL 301 BP 36 EP 47 DI 10.1016/j.physd.2015.03.003 PG 12 WC Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Mathematics; Physics GA CK3MR UT WOS:000356120700004 ER PT J AU Baker, KL Robey, HF Milovich, JL Jones, OS Smalyuk, VA Casey, DT MacPhee, AG Pak, A Celliers, PM Clark, DS Landen, OL Peterson, JL Berzak-Hopkins, LF Weber, CR Haan, SW Doppner, TD Dixit, S Giraldez, E Hamza, AV Jancaitis, KS Kroll, JJ Lafortune, KN MacGowan, BJ Moody, JD Nikroo, A Widmayer, CC AF Baker, K. L. Robey, H. F. Milovich, J. L. Jones, O. S. Smalyuk, V. A. Casey, D. T. MacPhee, A. G. Pak, A. Celliers, P. M. Clark, D. S. Landen, O. L. Peterson, J. L. Berzak-Hopkins, L. F. Weber, C. R. Haan, S. W. Doeppner, T. D. Dixit, S. Giraldez, E. Hamza, A. V. Jancaitis, K. S. Kroll, J. J. Lafortune, K. N. MacGowan, B. J. Moody, J. D. Nikroo, A. Widmayer, C. C. TI Adiabat-shaping in indirect drive inertial confinement fusion SO PHYSICS OF PLASMAS LA English DT Article ID NATIONAL-IGNITION-FACILITY; SHOCK; INSTABILITY; IMPLOSIONS; GAIN AB Adiabat-shaping techniques were investigated in indirect drive inertial confinement fusion experiments on the National Ignition Facility as a means to improve implosion stability, while still maintaining a low adiabat in the fuel. Adiabat-shaping was accomplished in these indirect drive experiments by altering the ratio of the picket and trough energies in the laser pulse shape, thus driving a decaying first shock in the ablator. This decaying first shock is designed to place the ablation front on a high adiabat while keeping the fuel on a low adiabat. These experiments were conducted using the keyhole experimental platform for both three and four shock laser pulses. This platform enabled direct measurement of the shock velocities driven in the glow-discharge polymer capsule and in the liquid deuterium, the surrogate fuel for a DT ignition target. The measured shock velocities and radiation drive histories are compared to previous three and four shock laser pulses. This comparison indicates that in the case of adiabat shaping the ablation front initially drives a high shock velocity, and therefore, a high shock pressure and adiabat. The shock then decays as it travels through the ablator to pressures similar to the original low-adiabat pulses when it reaches the fuel. This approach takes advantage of initial high ablation velocity, which favors stability, and high-compression, which favors high stagnation pressures. (C) 2015 AIP Publishing LLC. C1 [Baker, K. L.; Robey, H. F.; Milovich, J. L.; Jones, O. S.; Smalyuk, V. A.; Casey, D. T.; MacPhee, A. G.; Pak, A.; Celliers, P. M.; Clark, D. S.; Landen, O. L.; Peterson, J. L.; Berzak-Hopkins, L. F.; Weber, C. R.; Haan, S. W.; Doeppner, T. D.; Dixit, S.; Hamza, A. V.; Jancaitis, K. S.; Kroll, J. J.; Lafortune, K. N.; MacGowan, B. J.; Moody, J. D.; Widmayer, C. C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Giraldez, E.; Nikroo, A.] Gen Atom Co, San Diego, CA 95121 USA. RP Baker, KL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. FU U.S. Department of Energy by LLNL [DE-AC52-07NA27344] FX We thank K. S. Raman and M. Tabak for useful discussions and K. S. Raman for a careful reading of the manuscript. This work was performed under the auspices of the U.S. Department of Energy by LLNL under Contract No. DE-AC52-07NA27344. NR 37 TC 14 Z9 14 U1 0 U2 8 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 MAY PY 2015 VL 22 IS 5 AR 052702 DI 10.1063/1.4919694 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300043 ER PT J AU Berger, RL Brunner, S Banks, JW Cohen, BI Winjum, BJ AF Berger, R. L. Brunner, S. Banks, J. W. Cohen, B. I. Winjum, B. J. TI Multi-dimensional Vlasov simulations and modeling of trapped-electron-driven filamentation of electron plasma waves SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID INSTABILITY AB Kinetic simulations of two-dimensional finite-amplitude electron plasma waves are performed in a one-wavelength long system. A systematic study of the most unstable linear sideband mode, in particular its growth rate gamma and wavenumber k(y), is carried out by scanning the amplitude and wavenumber of the initial wave. Simulation results are compared with numerical and analytical solutions to a two-dimensional nonlinear Schrodinger model [H. A. Rose and L. Yin, Phys. Plasmas 15, 042311 (2008)] and to the reduced model by Kruer et al. [Phys. Rev. Lett. 23, 838 (1969)] generalized to two dimensions. (C) 2015 AIP Publishing LLC. C1 [Berger, R. L.; Cohen, B. I.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Brunner, S.] Ecole Polytech Fed Lausanne, Assoc Euratom Confederat Suisse, Ctr Rech Phys Plasmas, CRPP PPB, CH-1015 Lausanne, Switzerland. [Banks, J. W.] Rensselaer Polytech Inst, Dept Math Sci, Troy, NY 12180 USA. [Winjum, B. J.] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. RP Berger, RL (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM berger5@llnl.gov; stephan.brunner@epfl.ch RI Banks, Jeffrey/A-9718-2012; Brunner, Stephan/B-6200-2009 OI Brunner, Stephan/0000-0001-7588-7476 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07A27344]; Laboratory Research and Development Program at LLL [12-ERD-061]; DOE [DE-NA0001833, DE-FC02-04ER54789] FX We are pleased to acknowledge valuable discussions with T. Chapman, I. Dodin, D. Pesme, W. Rozmus, and L. Yin. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07A27344 and funded by the Laboratory Research and Development Program at LLL under project tracking code 12-ERD-061. Computing support for this work came from the Lawrence Livermore National Laboratory (LLL) Institutional Computing Grand Challenge program. B. J. Winjum acknowledges support from DOE under Grant Nos. DE-NA0001833 and DE-FC02-04ER54789. NR 15 TC 2 Z9 2 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 MAY PY 2015 VL 22 IS 5 AR 055703 DI 10.1063/1.4917482 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300098 ER PT J AU Betti, R Davidson, RC AF Betti, Riccardo Davidson, Ronald C. TI Foreword to Special Issue: Papers from the 56th Annual Meeting of the APS Division of Plasma Physics, October 27-31, 2014, New Orleans, Louisiana, USA SO PHYSICS OF PLASMAS LA English DT Editorial Material C1 [Betti, Riccardo] Univ Rochester, Laser Energet Lab, Rochester, NY 14627 USA. [Davidson, Ronald C.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Betti, R (reprint author), Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14627 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 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 MAY PY 2015 VL 22 IS 5 AR 055301 DI 10.1063/1.4920954 PG 2 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300093 ER PT J AU Bott-Suzuki, SC Bendixsen, LSC Cordaro, SW Blesener, IC Hoyt, CL Cahill, AD Kusse, BR Hammer, DA Gourdain, PA Seyler, CE Greenly, JB Chittenden, JP Niasse, N Lebedev, SV Ampleford, DJ AF Bott-Suzuki, S. C. Bendixsen, L. S. Caballero Cordaro, S. W. Blesener, I. C. Hoyt, C. L. Cahill, A. D. Kusse, B. R. Hammer, D. A. Gourdain, P. A. Seyler, C. E. Greenly, J. B. Chittenden, J. P. Niasse, N. Lebedev, S. V. Ampleford, D. J. TI Investigation of radiative bow-shocks in magnetically accelerated plasma flows SO PHYSICS OF PLASMAS LA English DT Article ID ARRAY Z-PINCHES; WIRE; IMPLOSION; EVOLUTION; ABLATION; DYNAMICS; WAVES; GAS AB We present a study of the formation of bow shocks in radiatively cooled plasma flows. This work uses an inverse wire array to provide a quasi-uniform, large scale hydrodynamic flow accelerated by Lorentz forces to supersonic velocities. This flow impacts a stationary object placed in its path, forming a well-defined Mach cone. Interferogram data are used to determine a Mach number of similar to 6, which may increase with radial position suggesting a strongly cooling flow. Self-emission imaging shows the formation of a thin (< 60 mu m) strongly emitting shock region, where T-e similar to 40-50 eV, and rapid cooling behind the shock. Emission is observed upstream of the shock position which appears consistent with a radiation driven phenomenon. Data are compared to 2-dimensional simulations using the Gorgon MHD code, which show good agreement with the experiments. The simulations are also used to investigate the effect of magnetic field in the target, demonstrating that the bow-shocks have a high plasma beta, and the influence of B-field at the shock is small. This consistent with experimental measurement with micro bdot probes. (C) 2015 AIP Publishing LLC. C1 [Bott-Suzuki, S. C.; Bendixsen, L. S. Caballero; Cordaro, S. W.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Blesener, I. C.; Hoyt, C. L.; Cahill, A. D.; Kusse, B. R.; Hammer, D. A.; Gourdain, P. A.; Seyler, C. E.; Greenly, J. B.] Cornell Univ, Ithaca, NY 14850 USA. [Chittenden, J. P.; Niasse, N.; Lebedev, S. V.] Univ London Imperial Coll Sci Technol & Med, London SW7 2BW, England. [Ampleford, D. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bott-Suzuki, SC (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. EM sbottsuzuki@ucsd.edu FU Department of Energy [DE-SC0006958]; NNSA Stockpile Stewardship Academic Alliance program through DOE [DE-NA0001836] FX This work was funded through Department of Energy Contract No. DE-SC0006958, and work at Cornell University was supported under the NNSA Stockpile Stewardship Academic Alliance program through DOE Cooperative Agreement No. DE-NA0001836. The authors gratefully acknowledge the help of Todd Blanchard and Harry Wilhelm during the experiments. NR 43 TC 1 Z9 1 U1 4 U2 12 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 MAY PY 2015 VL 22 IS 5 AR 052710 DI 10.1063/1.4921735 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300051 ER PT J AU Burin, MJ Simmons, GG Ceja, HG Zweben, SJ Nagy, A Brunkhorst, C AF Burin, M. J. Simmons, G. G. Ceja, H. G. Zweben, S. J. Nagy, A. Brunkhorst, C. TI On filament structure and propagation within a commercial plasma globe SO PHYSICS OF PLASMAS LA English DT Article ID DIELECTRIC BARRIER DISCHARGES; DISPLAY PANEL; ELECTRICAL BREAKDOWN; ATMOSPHERIC-PRESSURE; NEON; MIXTURES; XENON; COEFFICIENTS; TRANSITION; TOWNSEND AB The filamentary discharge seen within commercial plasma globes is commonly enjoyed yet not well understood. Here, we investigate the discharge properties of a plasma globe using a variable high voltage amplifier. We find that increasing voltage magnitude increases the number of filaments while leaving their individual structure basically unchanged, a result typical of dielectric barrier discharges. The frequency of the voltage also affects filament population but more significantly changes filament structure, with more diffuse filaments seen at lower frequencies. Voltage polarity is observed to be important, especially at lower frequencies, where for negative-gradient voltages the discharge is more diffuse, not filamentary. At late stages of the discharge circular structures appear and expand on the glass boundaries. We find no trend of discharge speed with respect to voltage variables, though this may be due to manufacturer sample-to-sample variation. Each voltage cycle the discharge expands outward at similar to 10-15 km/s, a speed significantly higher than the estimated electron drift yet considerably lower than that observed for most streamers. We discuss the physics of these observations and their relation to similar discharges that can be found within nature and industry. (C) 2015 AIP Publishing LLC. C1 [Burin, M. J.; Simmons, G. G.; Ceja, H. G.] CSU San Marcos, Dept Phys, San Marcos, CA 92078 USA. [Zweben, S. J.; Nagy, A.; Brunkhorst, C.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. RP Burin, MJ (reprint author), CSU San Marcos, Dept Phys, 333 S Twin Oaks Valley Rd, San Marcos, CA 92078 USA. OI Simmons, Gary/0000-0003-2876-3432 FU U.S. Department of Energy [DE-SC0006876]; PPPL Off-Site University Research (OSUR) Program [DE-AC02-09CH11466] FX This work has been possible due to U.S. Department of Energy Contract No. DE-SC0006876 and the PPPL Off-Site University Research (OSUR) Program (DE-AC02-09CH11466) directed by Dr. Phil Efthimion. The authors thank the following students: Mr. Scott Vasquez (PPPL), Ms. Lydia Saucedo (CSUSM), and Mr. Ryan Hernandez (CSU Pomona). We also would like to thank Dr. Michael Campanell, Dr. Andrew Zwicker, and Dr. Mikhail Shneider, as well as an anonymous reviewer, for helpful commentary. NR 53 TC 0 Z9 0 U1 3 U2 10 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 MAY PY 2015 VL 22 IS 5 AR 053509 DI 10.1063/1.4919939 PG 11 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300079 ER PT J AU Callahan, DA Hurricane, OA Hinkel, DE Doppner, T Ma, T Park, HS Garcia, MAB Hopkins, LFB Casey, DT Cerjan, CJ Dewald, EL Dittrich, TR Edwards, MJ Haan, SW Hamza, AV Kline, JL Knauer, JP Kritcher, AL Landen, OL LePape, S MacPhee, AG Milovich, JL Nikroo, A Pak, AE Patel, PK Rygg, JR Ralph, JE Salmonson, JD Spears, BK Springer, PT Tommasini, R Benedetti, LR Bionta, RM Bond, EJ Bradley, DK Caggiano, JA Field, JE Fittinghoff, DN Frenje, J Johnson, MG Grim, GP Hatarik, R Merrill, FE Nagel, SR Izumi, N Khan, SF Town, RPJ Sayre, DB Volegov, P Wilde, CH AF Callahan, D. A. Hurricane, O. A. Hinkel, D. E. Doeppner, T. Ma, T. Park, H. -S. Garcia, M. A. Barrios Hopkins, L. F. Berzak Casey, D. T. Cerjan, C. J. Dewald, E. L. Dittrich, T. R. Edwards, M. J. Haan, S. W. Hamza, A. V. Kline, J. L. Knauer, J. P. Kritcher, A. L. Landen, O. L. LePape, S. MacPhee, A. G. Milovich, J. L. Nikroo, A. Pak, A. E. Patel, P. K. Rygg, J. R. Ralph, J. E. Salmonson, J. D. Spears, B. K. Springer, P. T. Tommasini, R. Benedetti, L. R. Bionta, R. M. Bond, E. J. Bradley, D. K. Caggiano, J. A. Field, J. E. Fittinghoff, D. N. Frenje, J. Johnson, M. Gatu Grim, G. P. Hatarik, R. Merrill, F. E. Nagel, S. R. Izumi, N. Khan, S. F. Town, R. P. J. Sayre, D. B. Volegov, P. Wilde, C. H. TI Higher velocity, high-foot implosions on the National Ignition Facility laser SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA AB By increasing the velocity in "high foot" implosions [Dittrich et al., Phys. Rev. Lett. 112, 055002 (2014); Park et al., Phys. Rev. Lett. 112, 055001 (2014); Hurricane et al., Nature 506, 343 (2014); Hurricane et al., Phys. Plasmas 21, 056314 (2014)] on the National Ignition Facility laser, we have nearly doubled the neutron yield and the hotspot pressure as compared to the implosions reported upon last year. The implosion velocity has been increased using a combination of the laser (higher power and energy), the hohlraum (depleted uranium wall material with higher opacity and lower specific heat than gold hohlraums), and the capsule (thinner capsules with less mass). We find that the neutron yield from these experiments scales systematically with a velocity-like parameter of the square root of the laser energy divided by the ablator mass. By connecting this parameter with the inferred implosion velocity (nu), we find that for shots with primary yield >1 x 10(15) neutrons, the total yield similar to nu(9.4). This increase is considerably faster than the expected dependence for implosions without alpha heating (similar to nu(5.9)) and is additional evidence that these experiments have significant alpha heating. (c) 2015 AIP Publishing LLC. C1 [Callahan, D. A.; Hurricane, O. A.; Hinkel, D. E.; Doeppner, T.; Ma, T.; Park, H. -S.; Garcia, M. A. Barrios; Hopkins, L. F. Berzak; Casey, D. T.; Cerjan, C. J.; Dewald, E. L.; Dittrich, T. R.; Edwards, M. J.; Haan, S. W.; Hamza, A. V.; Kritcher, A. L.; Landen, O. L.; LePape, S.; MacPhee, A. G.; Milovich, J. L.; Pak, A. E.; Patel, P. K.; Rygg, J. R.; Ralph, J. E.; Salmonson, J. D.; Spears, B. K.; Springer, P. T.; Tommasini, R.; Benedetti, L. R.; Bionta, R. M.; Bond, E. J.; Bradley, D. K.; Caggiano, J. A.; Field, J. E.; Fittinghoff, D. N.; Hatarik, R.; Nagel, S. R.; Izumi, N.; Khan, S. F.; Town, R. P. J.; Sayre, D. B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Kline, J. L.; Grim, G. P.; Merrill, F. E.; Volegov, P.; Wilde, C. H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Knauer, J. P.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Nikroo, A.] Gen Atom Co, San Diego, CA 92121 USA. [Frenje, J.; Johnson, M. Gatu] MIT, Cambridge, MA 02139 USA. RP Callahan, DA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RI lepape, sebastien/J-3010-2015; IZUMI, Nobuhiko/J-8487-2016; Patel, Pravesh/E-1400-2011; Tommasini, Riccardo/A-8214-2009 OI 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 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 34 TC 15 Z9 15 U1 0 U2 22 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 MAY PY 2015 VL 22 IS 5 AR 056314 DI 10.1063/1.4921144 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300139 ER PT J AU Casner, A Masse, L Liberatore, S Loiseau, P Masson-Laborde, PE Jacquet, L Martinez, D Moore, AS Seugling, R Felker, S Haan, SW Remington, BA Smalyuk, VA Farrell, M Giraldez, E Nikroo, A AF Casner, A. Masse, L. Liberatore, S. Loiseau, P. Masson-Laborde, P. E. Jacquet, L. Martinez, D. Moore, A. S. Seugling, R. Felker, S. Haan, S. W. Remington, B. A. Smalyuk, V. A. Farrell, M. Giraldez, E. Nikroo, A. TI Probing the deep nonlinear stage of the ablative Rayleigh-Taylor instability in indirect drive experiments on the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID INERTIAL CONFINEMENT FUSION; RICHTMYER-MESHKOV; SCALING LAWS; GROWTH-RATE; EVOLUTION; IMPLOSION; DEPENDENCE; DESIGN; FLAMES; MODEL AB Academic tests in physical regimes not encountered in Inertial Confinement Fusion will help to build a better understanding of hydrodynamic instabilities and constitute the scientifically grounded validation complementary to fully integrated experiments. Under the National Ignition Facility (NIF) Discovery Science program, recent indirect drive experiments have been carried out to study the ablative Rayleigh-Taylor Instability (RTI) in transition from weakly nonlinear to highly nonlinear regime [A. Casner et al., Phys. Plasmas 19, 082708 (2012)]. In these experiments, a modulated package is accelerated by a 175 eV radiative temperature plateau created by a room temperature gas-filled platform irradiated by 60 NIF laser beams. The unique capabilities of the NIF are harnessed to accelerate this planar sample over much larger distances (similar or equal to 1.4mm) and longer time periods (similar or equal to 12 ns) than previously achieved. This extended acceleration could eventually allow entering into a turbulent-like regime not precluded by the theory for the RTI at the ablation front. Simultaneous measurements of the foil trajectory and the subsequent RTI growth are performed and compared with radiative hydrodynamics simulations. We present RTI growth measurements for two-dimensional single-mode and broadband multimode modulations. The dependence of RTI growth on initial conditions and ablative stabilization is emphasized, and we demonstrate for the first time in indirect-drive a bubble-competition, bubble-merger regime for the RTI at ablation front. (c) 2015 AIP Publishing LLC. C1 [Casner, A.; Masse, L.; Liberatore, S.; Loiseau, P.; Masson-Laborde, P. E.; Jacquet, L.] CEA, DAM, DIF, F-91297 Arpajon, France. [Martinez, D.; Moore, A. S.; Seugling, R.; Felker, S.; Haan, S. W.; Remington, B. A.; Smalyuk, V. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Farrell, M.; Giraldez, E.; Nikroo, A.] Gen Atom Co, San Diego, CA 92121 USA. RP Casner, A (reprint author), CEA, DAM, DIF, F-91297 Arpajon, France. EM alexis.casner@cea.fr RI Masse, Laurent/F-1476-2016; CASNER, Alexis/B-7458-2014; OI CASNER, Alexis/0000-0003-2176-1389; Masson-Laborde, Paul-Edouard/0000-0003-2786-9382 NR 66 TC 2 Z9 2 U1 2 U2 17 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 MAY PY 2015 VL 22 IS 5 AR 056302 DI 10.1063/1.4918356 PG 11 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300127 ER PT J AU Chen, H Link, A Sentoku, Y Audebert, P Fiuza, F Hazi, A Heeter, RF Hill, M Hobbs, L Kemp, AJ Kemp, GE Kerr, S Meyerhofer, DD Myatt, J Nagel, SR Park, J Tommasini, R Williams, GJ AF Chen, Hui Link, A. Sentoku, Y. Audebert, P. Fiuza, F. Hazi, A. Heeter, R. F. Hill, M. Hobbs, L. Kemp, A. J. Kemp, G. E. Kerr, S. Meyerhofer, D. D. Myatt, J. Nagel, S. R. Park, J. Tommasini, R. Williams, G. J. TI The scaling of electron and positron generation in intense laser-solid interactions SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID GAMMA-RAY BURSTS; PLASMA; CONDENSATION; TECHNOLOGY; TRANSPORT; DRIVEN; PULSES; PAIR AB This paper presents experimental scalings of the electrons and positrons produced by intense laser-target interactions at relativistic laser intensities (10(18) -10(20) W cm(-2)). The data were acquired from three short-pulse laser facilities with laser energies ranging from 80 to 1500 J. We found a non-linear (approximate to E-L(2)) scaling of positron yield [Chen et al., Phys. Rev. Lett. 114, 215001 (2015)] and a linear scaling of electron yield with the laser energy. These scalings are explained by theoretical and numerical analyses. Positron acceleration by the target sheath field is confirmed by the positron energy spectrum, which has a pronounced peak at energies near the sheath potential, as determined by the observed maximum energies of accelerated protons. The parameters of laser-produced electron-positron jets are summarized together with the theoretical energy scaling. The measured energy-squared scaling of relativistic electron-positron jets indicates the possibility to create an astrophysically relevant experimental platform with such jets using multi-kilojoule high intensity lasers currently under construction. (c) 2015 AIP Publishing LLC. C1 [Chen, Hui; Link, A.; Fiuza, F.; Hazi, A.; Heeter, R. F.; Kemp, A. J.; Kemp, G. E.; Nagel, S. R.; Park, J.; Tommasini, R.; Williams, G. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Sentoku, Y.] Univ Nevada, Reno, NV 89557 USA. [Audebert, P.] UPMC, CEA, CNRS, LULI,Ecole Polytech, F-91128 Palaiseau, France. [Hill, M.; Hobbs, L.] AWE Plc, Directorate Sci & Technol, Reading RG7 4PR, Berks, England. [Kerr, S.] Univ Alberta, Edmonton, AB T6G 2R3, Canada. [Meyerhofer, D. D.; Myatt, J.] Univ Rochester, LLE, Rochester, NY 14623 USA. RP Chen, H (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RI Sentoku, Yasuhiko/P-5419-2014; Tommasini, Riccardo/A-8214-2009; OI Tommasini, Riccardo/0000-0002-1070-3565; Kerr, Shaun/0000-0003-4822-564X FU U.S. DOE by LLNL [DE-AC52-07NA27344]; LDRD program [12-ERD-062] FX We acknowledge the support of the Omega EP, Titan, and Orion laser facilities for the experiments. H.C. thanks Peter Beiersdorfer, Bob Cauble, Marilyn Schneider, Henry Shaw, and Bill Goldstein for encouragement and support. H.C. also thanks Laurent Divol and Nino Landen for discussion. This work was performed under the auspices of the U.S. DOE by LLNL under Contract No. DE-AC52-07NA27344, and partially funded by the LDRD (12-ERD-062) program. NR 50 TC 9 Z9 9 U1 1 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 MAY PY 2015 VL 22 IS 5 AR 056705 DI 10.1063/1.4921147 PG 14 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300150 ER PT J AU Churchill, RM Theiler, C Lipschultz, B Hutchinson, IH Reinke, ML Whyte, D Hughes, JW Catto, P Landreman, M Ernst, D Chang, CS Hager, R Hubbard, A Ennever, P Walk, JR AF Churchill, R. M. Theiler, C. Lipschultz, B. Hutchinson, I. H. Reinke, M. L. Whyte, D. Hughes, J. W. Catto, P. Landreman, M. Ernst, D. Chang, C. S. Hager, R. Hubbard, A. Ennever, P. Walk, J. R. CA Alcator C-Mod Team TI Poloidal asymmetries in edge transport barriers SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID ALCATOR C-MOD; NEOCLASSICAL TRANSPORT; IMPURITY TRANSPORT; TOKAMAK PLASMAS; ASDEX UPGRADE; CONFINEMENT; PEDESTAL; REGION AB Measurements of impurities in Alcator C-Mod indicate that in the pedestal region, significant poloidal asymmetries can exist in the impurity density, ion temperature, and main ion density. In light of the observation that ion temperature and electrostatic potential are not constant on a flux surface [Theiler et al., Nucl. Fusion 54, 083017 (2014)], a technique based on total pressure conservation to align profiles measured at separate poloidal locations is presented and applied. Gyrokinetic neoclassical simulations with XGCa support the observed large poloidal variations in ion temperature and density, and that the total pressure is approximately constant on a flux surface. With the updated alignment technique, the observed in-out asymmetry in impurity density is reduced from previous publishing [Churchill et al., Nucl. Fusion 53, 122002 (2013)], but remains substantial (n(z,H)/n(z,L) similar to 6). Candidate asymmetry drivers are explored, showing that neither non-uniform impurity sources nor localized fluctuation-driven transport are able to explain satisfactorily the impurity density asymmetry. Since impurity density asymmetries are only present in plasmas with strong electron density gradients, and radial transport timescales become comparable to parallel transport timescales in the pedestal region, it is suggested that global transport effects relating to the strong electron density gradients in the pedestal are the main driver for the pedestal in-out impurity density asymmetry. (C) 2015 AIP Publishing LLC. C1 [Churchill, R. M.; Theiler, C.; Lipschultz, B.; Hutchinson, I. H.; Reinke, M. L.; Whyte, D.; Hughes, J. W.; Catto, P.; Landreman, M.; Ernst, D.; Hubbard, A.; Ennever, P.; Walk, J. R.; Alcator C-Mod Team] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Churchill, R. M.; Chang, C. S.; Hager, R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Theiler, C.] Ecole Polytech Fed Lausanne, Ctr Rech Phys Plasmas, CH-1015 Lausanne, Switzerland. [Lipschultz, B.; Reinke, M. L.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. [Landreman, M.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. RP Churchill, RM (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM rchurchi@pppl.gov RI Lipschultz, Bruce/J-7726-2012; EPFL, Physics/O-6514-2016; Landreman, Matt/C-7684-2017; OI Lipschultz, Bruce/0000-0001-5968-3684; Landreman, Matt/0000-0002-7233-577X; Theiler, Christian/0000-0003-3926-1374; Hager, Robert/0000-0002-4624-3150 FU U.S. DOE [DE-FC02-99ER54512]; Swiss National Science Foundation (SNSF); U.S. DOE Office of Fusion Energy Science [DE-FG02-06ER54845, DE-FG02-86ER53223]; Office of Advanced Scientific Computing Research [DE-FG02-06ER54845]; [DE-AC02-09CH11466] FX This work was supported by U.S. DOE Cooperative Agreement No. DE-FC02-99ER54512. C. Theiler was also supported by the Swiss National Science Foundation (SNSF). XGCa simulations were made possible by SciDAC grants jointly between the U.S. DOE Office of Fusion Energy Science and the Office of Advanced Scientific Computing Research under DE-FG02-06ER54845, by a grant from the U.S. DOE Office of Fusion Energy Science under DE-FG02-86ER53223, and by a contract under DE-AC02-09CH11466. NR 42 TC 6 Z9 6 U1 2 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 MAY PY 2015 VL 22 IS 5 AR 056104 DI 10.1063/1.4918353 PG 14 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300111 ER PT J AU Clark, DS Robey, HF Smalyuk, VA AF Clark, D. S. Robey, H. F. Smalyuk, V. A. TI A strategy for reducing stagnation phase hydrodynamic instability growth in inertial confinement fusion implosions SO PHYSICS OF PLASMAS LA English DT Article ID RAYLEIGH-TAYLOR INSTABILITY; NATIONAL IGNITION FACILITY; DECELERATION-PHASE; TARGETS; SHOCK; DESIGN; FLUIDS AB Encouraging progress is being made in demonstrating control of ablation front hydrodynamic instability growth in inertial confinement fusion implosion experiments on the National Ignition Facility [E. I. Moses, R. N. Boyd, B. A. Remington, C. J. Keane, and R. Al-Ayat, Phys. Plasmas 16, 041006 (2009)]. Even once ablation front stabilities are controlled, however, instability during the stagnation phase of the implosion can still quench ignition. A scheme is proposed to reduce the growth of stagnation phase instabilities through the reverse of the "adiabat shaping" mechanism proposed to control ablation front growth. Two-dimensional radiation hydrodynamics simulations confirm that improved stagnation phase stability should be possible without compromising fuel compression. (C) 2015 AIP Publishing LLC. C1 [Clark, D. S.; Robey, H. F.; Smalyuk, V. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Clark, DS (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. 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 40 TC 3 Z9 3 U1 1 U2 10 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 MAY PY 2015 VL 22 IS 5 AR 052705 DI 10.1063/1.4921134 PG 12 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300046 ER PT J AU Delgado-Aparicio, L Sugiyama, L Shiraiwa, S Irby, J Granetz, R Parker, R Baek, SG Faust, I Wallace, G Gates, DA Gorelenkov, N Mumgaard, R Scott, S Bertelli, N Gao, C Greenwald, M Hubbard, A Hughes, J Marmar, E Phillips, PE Rice, JE Rowan, WL Wilson, R Wolfe, S Wukitch, S AF Delgado-Aparicio, L. Sugiyama, L. Shiraiwa, S. Irby, J. Granetz, R. Parker, R. Baek, S. G. Faust, I. Wallace, G. Gates, D. A. Gorelenkov, N. Mumgaard, R. Scott, S. Bertelli, N. Gao, C. Greenwald, M. Hubbard, A. Hughes, J. Marmar, E. Phillips, P. E. Rice, J. E. Rowan, W. L. Wilson, R. Wolfe, S. Wukitch, S. TI Non-resonant destabilization of (1/1) internal kink mode by suprathermal electron pressure SO PHYSICS OF PLASMAS LA English DT Article ID ALCATOR C-MOD; CYCLOTRON EMISSION; TEMPERATURE PROFILE; CURRENT DRIVE; TOKAMAK; INSTABILITY; PLASMAS AB New experimental observations are reported on the structure and dynamics of short-lived periodic (1, 1) "fishbone"-like oscillations that appear during radio frequency heating and current-drive experiments in tokamak plasmas. For the first time, measurements can directly relate changes in the high energy electrons to the mode onset, saturation, and damping. In the relatively high collisionality of Alcator C-Mod with lower hybrid current drive, the instability appears to be destabilized by the non-resonant suprathermal electron pressure-rather than by wave-particle resonance, rotates toroidally with the plasma and grows independently of the (1, 1) sawtooth crash driven by the thermal plasma pressure. (C) 2015 AIP Publishing LLC. C1 [Delgado-Aparicio, L.; Gates, D. A.; Gorelenkov, N.; Scott, S.; Bertelli, N.; Wilson, R.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. [Sugiyama, L.] MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. [Shiraiwa, S.; Irby, J.; Granetz, R.; Parker, R.; Baek, S. G.; Faust, I.; Wallace, G.; Mumgaard, R.; Gao, C.; Greenwald, M.; Hubbard, A.; Hughes, J.; Marmar, E.; Rice, J. E.; Wolfe, S.; Wukitch, S.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Phillips, P. E.; Rowan, W. L.] Univ Texas Austin, Austin, TX 78712 USA. RP Delgado-Aparicio, L (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. FU U.S. DoE [DE-FC02-99ER54512, DE-SC0007883, DE-AC02-09CH11466] FX This work was performed under U.S. DoE Contracts including DE-FC02-99ER54512 and DE-SC0007883 at MIT and DE-AC02-09CH11466 at PPPL. NR 44 TC 5 Z9 5 U1 0 U2 8 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 MAY PY 2015 VL 22 IS 5 AR 050701 DI 10.1063/1.4919964 PG 5 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300001 ER PT J AU Diallo, A Groebner, RJ Rhodes, TL Battaglia, DJ Smith, DR Osborne, TH Canik, JM Guttenfelder, W Snyder, PB AF Diallo, A. Groebner, R. J. Rhodes, T. L. Battaglia, D. J. Smith, D. R. Osborne, T. H. Canik, J. M. Guttenfelder, W. Snyder, P. B. TI Correlations between quasi-coherent fluctuations and the pedestal evolution during the inter-edge localized modes phase on DIII-D SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID TRANSPORT; REFLECTOMETRY; JET AB Direct measurements of the pedestal recovery during an edge-localized mode cycle provide evidence that quasi-coherent fluctuations (QCFs) play a role in the inter-ELM pedestal dynamics. Using fast Thomson scattering measurements, the pedestal density and temperature evolutions are probed on sub-millisecond time scales to show a fast recovery of the density gradient compared to the temperature gradient. The temperature gradient appears to provide a drive for the onset of quasi-coherent fluctuations (as measured with the magnetic probe and the density diagnostics) localized in the pedestal. The amplitude evolution of these QCFs tracks the temperature gradient evolution including its saturation. Such correlation suggests that these QCFs play a key role in limiting the pedestal temperature gradient. The saturation of the QCFs coincides with the pressure gradient reaching the kinetic-ballooning mode (KBM) critical gradient as predicted by EPED1. Furthermore, linear microinstability analysis using GS2 indicates that the steep gradient is near the KBM threshold. Thus, the modeling and the observations together suggest that QCFs are consistent with dominant KBMs, although microtearing cannot be excluded as subdominant. (C) 2015 AIP Publishing LLC. C1 [Diallo, A.; Battaglia, D. J.; Guttenfelder, W.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Groebner, R. J.; Osborne, T. H.; Snyder, P. B.] Gen Atom Co, San Diego, CA 92186 USA. [Rhodes, T. L.] Dept Phys & Astron, Los Angeles, CA 90095 USA. [Smith, D. R.] Dept Engn Phys, Madison, WI 53706 USA. [Canik, J. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Diallo, A (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. OI Canik, John/0000-0001-6934-6681 FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-FC02-04ER54698, DE-AC02-09CH11466, DE-AC05-00OR22725] FX This material was 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-AC02-09CH11466, and DE-AC05-00OR22725. 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 thank M.W. Shafer for providing the finite beam lifetime calculations. One of us (A.D.) acknowledges discussions with J. D. Callen. NR 41 TC 8 Z9 8 U1 3 U2 15 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 MAY PY 2015 VL 22 IS 5 AR 056111 DI 10.1063/1.4921148 PG 13 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300118 ER PT J AU Doss, FW Kline, JL Flippo, KA Perry, TS DeVolder, BG Tregillis, I Loomis, EN Merritt, EC Murphy, TJ Welser-Sherrill, L Fincke, JR AF Doss, F. W. Kline, J. L. Flippo, K. A. Perry, T. S. DeVolder, B. G. Tregillis, I. Loomis, E. N. Merritt, E. C. Murphy, T. J. Welser-Sherrill, L. Fincke, J. R. TI The Shock/Shear platform for planar radiation-hydrodynamics experiments on the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID RAYLEIGH-TAYLOR INSTABILITY; SIMULATION AB An indirectly-driven shock tube experiment fielded on the National Ignition Facility (NIF) was used to create a high-energy-density hydrodynamics platform at unprecedented scale. Scaling up a shear-induced mixing experiment previously fielded at OMEGA, the NIF shear platform drives 130 lm/ns shocks into a CH foam-filled shock tube (similar to 60 mg/cc) with interior dimensions of 1.5mm diameter and 5mm length. The pulse-shaping capabilities of the NIF are used to extend the drive for > 10 ns, and the large interior tube volumes are used to isolate physics-altering edge effects from the region of interest. The scaling of the experiment to the NIF allows for considerable improvement in maximum driving time of hydrodynamics, in fidelity of physics under examination, and in diagnostic clarity. Details of the experimental platform and post-shot simulations used in the analysis of the platform-qualifying data are presented. Hydrodynamic scaling is used to compare shear data from OMEGA with that from NIF, suggesting a possible change in the dimensionality of the instability at late times from one platform to the other. (c) 2015 AIP Publishing LLC. C1 [Doss, F. W.; Kline, J. L.; Flippo, K. A.; Perry, T. S.; DeVolder, B. G.; Tregillis, I.; Loomis, E. N.; Merritt, E. C.; Murphy, T. J.; Welser-Sherrill, L.; Fincke, J. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Doss, FW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM fdoss@lanl.gov RI Perry, Theodore/K-3333-2014; Flippo, Kirk/C-6872-2009; Murphy, Thomas/F-3101-2014; OI Perry, Theodore/0000-0002-8832-2033; Flippo, Kirk/0000-0002-4752-5141; Murphy, Thomas/0000-0002-6137-9873; Kline, John/0000-0002-2271-9919 FU U.S. Department of Energy; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; [DE-AC52-06NA25396] FX We would like to thank Dan Kalantar for useful fielding discussions, L. Robin Benedetti for discussion on the x-ray framing cameras, Warren Hsing for useful discussion on planning the experiments for NIF, the NIF operations team, and Los Alamos target fabrication. The referee for this paper is also thanked for their comments and 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. NIF facility and experimental data reflects facility development and operations performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 32 TC 8 Z9 8 U1 4 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2015 VL 22 IS 5 AR 056303 DI 10.1063/1.4918354 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300128 ER PT J AU Garofalo, AM Burrell, KH Eldon, D Grierson, BA Hanson, JM Holland, C Huijsmans, GTA Liu, F Loarte, A Meneghini, O Osborne, TH Paz-Soldan, C Smith, SP Snyder, PB Solomon, WM Turnbull, AD Zeng, L AF Garofalo, A. M. Burrell, K. H. Eldon, D. Grierson, B. A. Hanson, J. M. Holland, C. Huijsmans, G. T. A. Liu, F. Loarte, A. Meneghini, O. Osborne, T. H. Paz-Soldan, C. Smith, S. P. Snyder, P. B. Solomon, W. M. Turnbull, A. D. Zeng, L. TI The quiescent H-mode regime for high performance edge localized mode-stable operation in future burning plasmas SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID MHD STABILITY; DIII-D; CONFINEMENT; TRANSPORT; SCENARIOS; JT-60U AB For the first time, DIII-D experiments have achieved stationary quiescent H-mode (QH-mode) operation for many energy confinement times at simultaneous ITER-relevant values of beta, confinement, and safety factor, in an ITER-like shape. QH-mode provides excellent energy confinement, even at very low plasma rotation, while operating without edge localized modes (ELMs) and with strong impurity transport via the benign edge harmonic oscillation (EHO). By tailoring the plasma shape to improve the edge stability, the QH-mode operating space has also been extended to densities exceeding 80% of the Greenwald limit, overcoming the long-standing low-density limit of QH-mode operation. In the theory, the density range over which the plasma encounters the kink-peeling boundary widens as the plasma cross-section shaping is increased, thus increasing the QH-mode density threshold. The DIII-D results are in excellent agreement with these predictions, and nonlinear magnetohydrodynamic analysis of reconstructed QH-mode equilibria shows unstable low n kink-peeling modes growing to a saturated level, consistent with the theoretical picture of the EHO. Furthermore, high density operation in the QH-mode regime has opened a path to a new, previously predicted region of parameter space, named "Super H-mode" because it is characterized by very high pedestals that can be more than a factor of two above the peeling-ballooning stability limit for similar ELMing H-mode discharges at the same density. (c) 2015 AIP Publishing LLC. C1 [Garofalo, A. M.; Burrell, K. H.; Meneghini, O.; Osborne, T. H.; Paz-Soldan, C.; Smith, S. P.; Snyder, P. B.; Turnbull, A. D.] Gen Atom Co, San Diego, CA 92186 USA. [Eldon, D.; Grierson, B. A.; Solomon, W. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Hanson, J. M.] Columbia Univ, New York, NY 10027 USA. [Holland, C.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Huijsmans, G. T. A.; Liu, F.; Loarte, A.] ITER Org, F-13067 St Paul Les Durance, France. [Zeng, L.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. RP Garofalo, AM (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM garofalo@fusion.gat.com OI Solomon, Wayne/0000-0002-0902-9876 FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-FC02-04ER54698, DE-AC02-09CH11466, DE-FG02-07ER54917, DE-FG02-04ER54761, DE-FG02-08ER54984]; ITER Organization FX This material is based upon work supported 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 Award Nos. DE-FC02-04ER54698, DE-AC02-09CH11466, DE-FG02-07ER54917, DE-FG02-04ER54761, and DE-FG02-08ER54984, and the ITER Organization. The views and opinions expressed herein do not necessarily reflect those of the ITER Organization. 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. NR 33 TC 7 Z9 7 U1 1 U2 3 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 MAY PY 2015 VL 22 IS 5 AR 056116 DI 10.1063/1.4921406 PG 11 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300123 ER PT J AU Gomez, MR Slutz, SA Sefkow, AB Hahn, KD Hansen, SB Knapp, PF Schmit, PF Ruiz, CL Sinars, DB Harding, EC Jennings, CA Awe, TJ Geissel, M Rovang, DC Smith, IC Chandler, GA Cooper, GW Cuneo, ME Harvey-Thompson, AJ Herrmann, MC Hess, MH Lamppa, DC Martin, MR McBride, RD Peterson, KJ Porter, JL Rochau, GA Savage, ME Schroen, DG Stygar, WA Vesey, RA AF Gomez, M. R. Slutz, S. A. Sefkow, A. B. Hahn, K. D. Hansen, S. B. Knapp, P. F. Schmit, P. F. Ruiz, C. L. Sinars, D. B. Harding, E. C. Jennings, C. A. Awe, T. J. Geissel, M. Rovang, D. C. Smith, I. C. Chandler, G. A. Cooper, G. W. Cuneo, M. E. Harvey-Thompson, A. J. Herrmann, M. C. Hess, M. H. Lamppa, D. C. Martin, M. R. McBride, R. D. Peterson, K. J. Porter, J. L. Rochau, G. A. Savage, M. E. Schroen, D. G. Stygar, W. A. Vesey, R. A. TI Demonstration of thermonuclear conditions in magnetized liner inertial fusion experiments SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID PINCH-DRIVEN HOHLRAUM; CONFINEMENT FUSION; TARGET; FUEL; IGNITION; PLASMA; COMPRESSION; FACILITY; GAIN AB The magnetized liner inertial fusion concept [S. A. Slutz et al., Phys. Plasmas 17, 056303 (2010)] utilizes a magnetic field and laser heating to relax the pressure requirements of inertial confinement fusion. The first experiments to test the concept [M. R. Gomez et al., Phys. Rev. Lett. 113, 155003 (2014)] were conducted utilizing the 19 MA, 100 ns Z machine, the 2.5 kJ, 1 TW Z Beamlet laser, and the 10 T Applied B-field on Z system. Despite an estimated implosion velocity of only 70 km/s in these experiments, electron and ion temperatures at stagnation were as high as 3 keV, and thermonuclear deuterium-deuterium neutron yields up to 2 x 10(12) have been produced. X-ray emission from the fuel at stagnation had widths ranging from 50 to 110 mu m over a roughly 80% of the axial extent of the target (6-8 mm) and lasted approximately 2 ns. X-ray yields from these experiments are consistent with a stagnation density of the hot fuel equal to 0.2-0.4 g/cm(3). In these experiments, up to 5 x 10(10) secondary deuterium-tritium neutrons were produced. Given that the areal density of the plasma was approximately 1-2 mg/cm(2), this indicates the stagnation plasma was significantly magnetized, which is consistent with the anisotropy observed in the deuterium-tritium neutron spectra. Control experiments where the laser and/or magnetic field were not utilized failed to produce stagnation temperatures greater than 1 keV and primary deuterium-deuterium yields greater than 10(10). An additional control experiment where the fuel contained a sufficient dopant fraction to substantially increase radiative losses also failed to produce a relevant stagnation temperature. The results of these experiments are consistent with a thermonuclear neutron source. (c) 2015 AIP Publishing LLC. C1 [Gomez, M. R.; Slutz, S. A.; Sefkow, A. B.; Hahn, K. D.; Hansen, S. B.; Knapp, P. F.; Schmit, P. F.; Ruiz, C. L.; Sinars, D. B.; Harding, E. C.; Jennings, C. A.; Awe, T. J.; Geissel, M.; Rovang, D. C.; Smith, I. C.; Chandler, G. A.; Cooper, G. W.; Cuneo, M. E.; Harvey-Thompson, A. J.; Hess, M. H.; Lamppa, D. C.; Martin, M. R.; McBride, R. D.; Peterson, K. J.; Porter, J. L.; Rochau, G. A.; Savage, M. E.; Stygar, W. A.; Vesey, R. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Herrmann, M. C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Schroen, D. G.] Gen Atom Co, San Diego, CA 92121 USA. RP Gomez, MR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank the Z machine operations team, the ZBL operations team, the ABZ operations team, and the target fabrication team for their contributions to this work. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 51 TC 14 Z9 14 U1 5 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 MAY PY 2015 VL 22 IS 5 AR 056306 DI 10.1063/1.4919394 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300131 ER PT J AU Gonsalves, AJ Nakamura, K Daniels, J Mao, HS Benedetti, C Schroeder, CB Toth, C van Tilborg, J Mittelberger, DE Bulanov, SS Vay, JL Geddes, CGR Esarey, E Leemans, WP AF Gonsalves, A. J. Nakamura, K. Daniels, J. Mao, H. -S. Benedetti, C. Schroeder, C. B. Toth, Cs. van Tilborg, J. Mittelberger, D. E. Bulanov, S. S. Vay, J. -L. Geddes, C. G. R. Esarey, E. Leemans, W. P. TI Generation and pointing stabilization of multi-GeV electron beams from a laser plasma accelerator driven in a pre-formed plasma waveguide SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID BETATRON OSCILLATIONS; PULSES; RAYS AB Laser pulses with peak power 0.3 PW were used to generate electron beams with energy >4 GeV within a 9 cm-long capillary discharge waveguide operated with a plasma density of approximate to 7 x 10(17) cm(-3). Simulations showed that the super-Gaussian near-field laser profile that is typical of high-power femtosecond laser systems reduces the efficacy of guiding in parabolic plasma channels compared with the Gaussian laser pulses that are typically simulated. In the experiments, this was mitigated by increasing the plasma density and hence the contribution of self-guiding. This allowed for the generation of multi-GeV electron beams, but these had angular fluctuation greater than or similar to 2 mrad rms. Mitigation of capillary damage and more accurate alignment allowed for stable beams to be produced with energy 2.7 +/- 0.1 GeV. The pointing fluctuation was 0.6 mrad rms, which was less than the beam divergence of <= 1 mrad full-width-half-maximum. (c) 2015 AIP Publishing LLC. C1 [Gonsalves, A. J.; Nakamura, K.; Daniels, J.; Mao, H. -S.; Benedetti, C.; Schroeder, C. B.; Toth, Cs.; van Tilborg, J.; Mittelberger, D. E.; Bulanov, S. S.; Vay, J. -L.; Geddes, C. G. R.; Esarey, E.; Leemans, W. P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Mittelberger, D. E.; Bulanov, S. S.; Leemans, W. P.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Gonsalves, AJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM WPLeemans@lbl.gov RI Daniels, Joost/N-2378-2015; OI Daniels, Joost/0000-0002-9480-6077; Schroeder, Carl/0000-0002-9610-0166 FU Office of Science, Office of High Energy Physics, of the U.S. Department of Energy [DE-AC02-05CH11231, DE-FG02-12ER41798] FX This work was supported by the Director, Office of Science, Office of High Energy Physics, of the U.S. Department of Energy under Contract Nos. DE-AC02-05CH11231 and DE-FG02-12ER41798. The authors gratefully acknowledge the technical support from Aalhad Deshmukh, Dave Evans, Mark Kirkpatrick, Art Magana, Greg Mannino, Joe Riley, Ken Sihler, Ohmar Sowle, Tyler Sipla, Don Syversrud, and Nathan Ybarrolaza as well as the THALES laser team for the development of the BELLA laser. We also thank Nicholas Matlis, Nadezhda Bobrova, Sergey Bulanov, and Krishnan Mahadevan for their contributions and discussions. NR 41 TC 10 Z9 10 U1 3 U2 30 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 MAY PY 2015 VL 22 IS 5 AR 056703 DI 10.1063/1.4919278 PG 8 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300148 ER PT J AU Grierson, BA Burrell, KH Nazikian, RM Solomon, WM Garofalo, AM Belli, EA Staebler, GM Fenstermacher, ME McKee, GR Evans, TE Orlov, DM Smith, SP Chrobak, C Chrystal, C AF Grierson, B. A. Burrell, K. H. Nazikian, R. M. Solomon, W. M. Garofalo, A. M. Belli, E. A. Staebler, G. M. Fenstermacher, M. E. McKee, G. R. Evans, T. E. Orlov, D. M. Smith, S. P. Chrobak, C. Chrystal, C. CA DIII-D Team TI Impurity confinement and transport in high confinement regimes without edge localized modes on DIII-D SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID ASDEX UPGRADE; HELIUM TRANSPORT; PARTICLE LOSSES; D TOKAMAK; PLASMAS; EXHAUST; POWER AB Impurity transport in the DIII-D tokamak [J. L. Luxon, Nucl. Fusion 42, 614 (2002)] is investigated in stationary high confinement (H-mode) regimes without edge localized modes (ELMs). In plasmas maintained by resonant magnetic perturbation (RMP), ELM-suppression, and QH-mode, the confinement time of fluorine (Z = 9) is equivalent to that in ELMing discharges with 40 Hz ELMs. For selected discharges with impurity injection, the impurity particle confinement time compared to the energy confinement time is in the range of tau(p)/tau(e) approximate to 2 - 3. In QH-mode operation, the impurity confinement time is shown to be smaller for intense, coherent magnetic, and density fluctuations of the edge harmonic oscillation than weaker fluctuations. Transport coefficients are derived from the time evolution of the impurity density profile and compared to neoclassical and turbulent transport models NEO and TGLF. Neoclassical transport of fluorine is found to be small compared to the experimental values. In the ELMing and RMP ELM-suppressed plasma, the impurity transport is affected by the presence of tearing modes. For radii larger than the mode radius, the TGLF diffusion coefficient is smaller than the experimental value by a factor of 2-3, while the convective velocity is within error estimates. Low levels of diffusion are observed for radii smaller than the tearing mode radius. In the QH-mode plasma investigated, the TGLF diffusion coefficient is higher inside of rho = 0.4 and lower outside of 0.4 than the experiment, and the TGLF convective velocity is more negative by a factor of approximately 1.7. (C) 2015 AIP Publishing LLC. C1 [Grierson, B. A.; Nazikian, R. M.; Solomon, W. M.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Burrell, K. H.; Garofalo, A. M.; Belli, E. A.; Staebler, G. M.; Evans, T. E.; Smith, S. P.; Chrobak, C.; DIII-D Team] Gen Atom Co, San Diego, CA 92186 USA. [Fenstermacher, M. E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [McKee, G. R.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53796 USA. [Orlov, D. M.] Univ Calif San Diego, Energy Res Ctr, La Jolla, CA 92093 USA. [Chrystal, C.] Univ Calif San Diego, La Jolla, CA 92093 USA. RP Grierson, BA (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM bgriers@pppl.gov RI Orlov, Dmitriy/D-2406-2016; OI Orlov, Dmitriy/0000-0002-2230-457X; Solomon, Wayne/0000-0002-0902-9876 FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-AC02-09CH11466, DE-FC02-04ER54698, DE-AC52-07NA27344, DE-FG02-89ER53296, DE-FG02-08ER54999] FX This material is based upon work supported 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-AC02-09CH11466, DE-FC02-04ER54698, DE-AC52-07NA27344, DE-FG02-89ER53296, and DE-FG02-08ER54999. 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. B. A. Grierson acknowledges valuable discussion with R. Dux and N. Howard. NR 45 TC 8 Z9 8 U1 3 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2015 VL 22 IS 5 AR 055901 DI 10.1063/1.4918359 PG 13 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300104 ER PT J AU Hansen, SB Gomez, MR Sefkow, AB Slutz, SA Sinars, DB Hahn, KD Harding, EC Knapp, PF Schmit, PF Awe, TJ McBride, RD Jennings, CA Geissel, M Harvey-Thompson, AJ Peterson, KJ Rovang, DC Chandler, GA Cooper, GW Cuneo, ME Herrmann, MC Hess, MH Johns, O Lamppa, DC Martin, MR Porter, JL Robertson, GK Rochau, GA Ruiz, CL Savage, ME Smith, IC Stygar, WA Vesey, RA Blue, BE Ryutov, D Schroen, DG Tomlinson, K AF Hansen, S. B. Gomez, M. R. Sefkow, A. B. Slutz, S. A. Sinars, D. B. Hahn, K. D. Harding, E. C. Knapp, P. F. Schmit, P. F. Awe, T. J. McBride, R. D. Jennings, C. A. Geissel, M. Harvey-Thompson, A. J. Peterson, K. J. Rovang, D. C. Chandler, G. A. Cooper, G. W. Cuneo, M. E. Herrmann, M. C. Hess, M. H. Johns, O. Lamppa, D. C. Martin, M. R. Porter, J. L. Robertson, G. K. Rochau, G. A. Ruiz, C. L. Savage, M. E. Smith, I. C. Stygar, W. A. Vesey, R. A. Blue, B. E. Ryutov, D. Schroen, D. G. Tomlinson, K. TI Diagnosing magnetized liner inertial fusion experiments on Z SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID FACILITY AB Magnetized Liner Inertial Fusion experiments performed at Sandia's Z facility have demonstrated significant thermonuclear fusion neutron yields (similar to 10(12) DD neutrons) from multi-keV deuterium plasmas inertially confined by slow (similar to 10 cm/mu s), stable, cylindrical implosions. Effective magnetic confinement of charged fusion reactants and products is signaled by high secondary DT neutron yields above 10(10). Analysis of extensive power, imaging, and spectroscopic x-ray measurements provides a detailed picture of similar to 3 keV temperatures, 0.3 g/cm(3) densities, gradients, and mix in the fuel and liner over the 1-2 ns stagnation duration. (c) 2015 AIP Publishing LLC. C1 [Hansen, S. B.; Gomez, M. R.; Sefkow, A. B.; Slutz, S. A.; Sinars, D. B.; Hahn, K. D.; Harding, E. C.; Knapp, P. F.; Schmit, P. F.; Awe, T. J.; McBride, R. D.; Jennings, C. A.; Geissel, M.; Harvey-Thompson, A. J.; Peterson, K. J.; Rovang, D. C.; Chandler, G. A.; Cooper, G. W.; Cuneo, M. E.; Hess, M. H.; Johns, O.; Lamppa, D. C.; Martin, M. R.; Porter, J. L.; Robertson, G. K.; Rochau, G. A.; Ruiz, C. L.; Savage, M. E.; Smith, I. C.; Stygar, W. A.; Vesey, R. A.; Blue, B. E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Herrmann, M. C.; Ryutov, D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Schroen, D. G.; Tomlinson, K.] Gen Atom Co, San Diego, CA 92121 USA. RP Hansen, SB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM sbhanse@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; U.S. Department of Energy, Office of Science Early Career Research Program, Office of Fusion Energy Sciences [FWP-14-017426] 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. The work of SH was supported by the U.S. Department of Energy, Office of Science Early Career Research Program, Office of Fusion Energy Sciences under FWP-14-017426. NR 26 TC 8 Z9 8 U1 3 U2 12 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 MAY PY 2015 VL 22 IS 5 AR 056313 DI 10.1063/1.4921217 PG 6 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300138 ER PT J AU Hershcovitch, A Blaskiewicz, M Brennan, JM Custer, A Dingus, A Erickson, M Fischer, W Jamshidi, N Laping, R Liaw, CJ Meng, W Poole, HJ Todd, R AF Hershcovitch, A. Blaskiewicz, M. Brennan, J. M. Custer, A. Dingus, A. Erickson, M. Fischer, W. Jamshidi, N. Laping, R. Liaw, C. -J. Meng, W. Poole, H. J. Todd, R. TI Plasma sputtering robotic device for in-situ thick coatings of long, small diameter vacuum tubes SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID ION AB A novel robotic plasma magnetron mole with a 50 cm long cathode was designed, fabricated, and operated. The reason for this endeavor is to alleviate the problems of unacceptable resistive heating of stainless steel vacuum tubes in the BNL Relativistic Heavy Ion Collider (RHIC). The magnetron mole was successfully operated to copper coat an assembly containing a full-size, stainless steel, cold bore, RHIC magnet tubing connected to two types of RHIC bellows, to which two additional pipes made of RHIC tubing were connected. To increase the cathode lifetime, a movable magnet package was developed, and the thickest possible cathode was made, with a rather challenging target to substrate (de facto anode) distance of less than 1.5 cm. Achieving reliable steady state magnetron discharges at such a short cathode to anode gap was rather challenging, when compared to commercial coating equipment, where the target to substrate distance is 10's cm; 6.3cm is the lowest experimental target to substrate distance found in the literature. Additionally, the magnetron developed during this project provides unique omni-directional uniform coating. The magnetron is mounted on a carriage with spring loaded wheels that successfully crossed bellows and adjusted for variations in vacuum tube diameter, while keeping the magnetron centered. Electrical power and cooling water were fed through a cable bundle. The umbilical cabling system is driven by a motorized spool. Excellent coating adhesion was achieved. Measurements indicated that well-scrubbed copper coating reduced secondary electron yield to 1, i.e., the problem of electron clouds can be eliminated. Room temperature RF resistivity measurement indicated that a 10 mu m copper coated stainless steel RHIC tube has a conductivity close to that of pure copper tubing. Excellent coating adhesion was achieved. The device details and experimental results are described. (c) 2015 AIP Publishing LLC. C1 [Hershcovitch, A.; Blaskiewicz, M.; Brennan, J. M.; Fischer, W.; Liaw, C. -J.; Meng, W.; Todd, R.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Custer, A.; Dingus, A.; Erickson, M.; Jamshidi, N.; Laping, R.; Poole, H. J.] PVI, Oxnard, CA 93031 USA. RP Hershcovitch, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM hershcovitch@bnl.gov FU Brookhaven Science Associates, LLC [DE-AC02-98CH1-886]; U.S. Department of Energy [DE-AC02-98CH1-886] FX This manuscript has been authored by Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CH1-886 with the U.S. Department of Energy. One of us (A.H.) gratefully acknowledges Mauro Taborelli for his advice and members of Mauro's group at CERN for performing SEY measurements. NR 21 TC 1 Z9 1 U1 0 U2 3 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 MAY PY 2015 VL 22 IS 5 AR 057101 DI 10.1063/1.4917478 PG 5 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300151 ER PT J AU Hoffman, NM Zimmerman, GB Molvig, K Rinderknecht, HG Rosenberg, MJ Albright, BJ Simakov, AN Sio, H Zylstra, AB Johnson, MG Seguin, FH Frenje, JA Li, CK Petrasso, RD Higdon, DM Srinivasan, G Glebov, VY Stoeckl, C Seka, W Sangster, TC AF Hoffman, Nelson M. Zimmerman, George B. Molvig, Kim Rinderknecht, Hans G. Rosenberg, Michael J. Albright, B. J. Simakov, Andrei N. Sio, Hong Zylstra, Alex B. Johnson, Maria Gatu Seguin, Fredrick H. Frenje, Johan A. Li, C. K. Petrasso, Richard D. Higdon, David M. Srinivasan, Gowri Glebov, Vladimir Yu. Stoeckl, Christian Seka, Wolf Sangster, T. Craig TI Approximate models for the ion-kinetic regime in inertial-confinement-fusion capsule implosions SO PHYSICS OF PLASMAS LA English DT Article AB "Reduced" (i.e., simplified or approximate) ion-kinetic (RIK) models in radiation-hydrodynamic simulations permit a useful description of inertial-confinement-fusion (ICF) implosions where kinetic deviations from hydrodynamic behavior are important. For implosions in or near the kinetic regime (i.e., when ion mean free paths are comparable to the capsule size), simulations using a RIK model give a detailed picture of the time- and space-dependent structure of imploding capsules, allow an assessment of the relative importance of various kinetic processes during the implosion, enable explanations of past and current observations, and permit predictions of the results of future experiments. The RIK simulation method described here uses moment-based reduced kinetic models for transport of mass, momentum, and energy by long-mean-free-path ions, a model for the decrease of fusion reactivity owing to the associated modification of the ion distribution function, and a model of hydrodynamic turbulent mixing. The transport models are based on local gradient-diffusion approximations for the transport of moments of the ion distribution functions, with coefficients to impose flux limiting or account for transport modification. After calibration against a reference set of ICF implosions spanning the hydrodynamic-to-kinetic transition, the method has useful, quantifiable predictive ability over a broad range of capsule parameter space. Calibrated RIK simulations show that an important contributor to ion species separation in ICF capsule implosions is the preferential flux of longer-mean-free-path species out of the fuel and into the shell, leaving the fuel relatively enriched in species with shorter mean free paths. Also, the transport of ion thermal energy is enhanced in the kinetic regime, causing the fuel region to have a more uniform, lower ion temperature, extending over a larger volume, than implied by clean simulations. We expect that the success of our simple approach will motivate continued theoretical research into the development of first-principles-based, comprehensive, self-consistent, yet useable models of kinetic multispecies ion behavior in ICF plasmas. (C) 2015 AIP Publishing LLC. C1 [Hoffman, Nelson M.; Molvig, Kim; Albright, B. J.; Simakov, Andrei N.; Higdon, David M.; Srinivasan, Gowri] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Zimmerman, George B.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Rinderknecht, Hans G.; Rosenberg, Michael J.; Sio, Hong; Zylstra, Alex B.; Johnson, Maria Gatu; Seguin, Fredrick H.; Frenje, Johan A.; Li, C. K.; Petrasso, Richard D.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Glebov, Vladimir Yu.; Stoeckl, Christian; Seka, Wolf; Sangster, T. Craig] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. RP Hoffman, NM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM nmh@lanl.gov OI Hoffman, Nelson/0000-0003-0178-767X; Simakov, Andrei/0000-0001-7064-9153; Albright, Brian/0000-0002-7789-6525 FU U.S. Department of Energy [DE-AC52-06NA25396] FX We are grateful to a number of individuals for advice and discussions concerning this work: Evan Dodd for advice about scattered-light measurements and their importance; Erik Vold for explanations of the scaling of the ion transport equations; and Hans Herrmann, Yong-Ho Kim, Colin Horsfield (AWE), and Mike Rubery (AWE) for discussions of simulations and data from other experiments. This project was supported by the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. NR 31 TC 11 Z9 11 U1 0 U2 8 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 MAY PY 2015 VL 22 IS 5 AR 052707 DI 10.1063/1.4921130 PG 17 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300048 ER PT J AU Hohenberger, M Radha, PB Myatt, JF LePape, S Marozas, JA Marshall, FJ Michel, DT Regan, SP Seka, W Shvydky, A Sangster, TC Bates, JW Betti, R Boehly, TR Bonino, MJ Casey, DT Collins, TJB Craxton, RS Delettrez, JA Edgell, DH Epstein, R Fiksel, G Fitzsimmons, P Frenje, JA Froula, DH Goncharov, VN Harding, DR Kalantar, DH Karasik, M Kessler, TJ Kilkenny, JD Knauer, JP Kurz, C Lafon, M LaFortune, KN MacGowan, BJ Mackinnon, AJ MacPhee, AG McCrory, RL McKenty, PW Meeker, JF Meyerhofer, DD Nagel, SR Nikroo, A Obenschain, S Petrasso, RD Ralph, JE Rinderknecht, HG Rosenberg, MJ Schmitt, AJ Wallace, RJ Weaver, J Widmayer, C Skupsky, S Solodov, AA Stoeckl, C Yaakobi, B Zuegel, JD AF Hohenberger, M. Radha, P. B. Myatt, J. F. LePape, S. Marozas, J. A. Marshall, F. J. Michel, D. T. Regan, S. P. Seka, W. Shvydky, A. Sangster, T. C. Bates, J. W. Betti, R. Boehly, T. R. Bonino, M. J. Casey, D. T. Collins, T. J. B. Craxton, R. S. Delettrez, J. A. Edgell, D. H. Epstein, R. Fiksel, G. Fitzsimmons, P. Frenje, J. A. Froula, D. H. Goncharov, V. N. Harding, D. R. Kalantar, D. H. Karasik, M. Kessler, T. J. Kilkenny, J. D. Knauer, J. P. Kurz, C. Lafon, M. LaFortune, K. N. MacGowan, B. J. Mackinnon, A. J. MacPhee, A. G. McCrory, R. L. McKenty, P. W. Meeker, J. F. Meyerhofer, D. D. Nagel, S. R. Nikroo, A. Obenschain, S. Petrasso, R. D. Ralph, J. E. Rinderknecht, H. G. Rosenberg, M. J. Schmitt, A. J. Wallace, R. J. Weaver, J. Widmayer, C. Skupsky, S. Solodov, A. A. Stoeckl, C. Yaakobi, B. Zuegel, J. D. TI Polar-direct-drive experiments on the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID LASER; INSTABILITY; OMEGA; SIMULATIONS; PERFORMANCE; PLASMAS; FUSION; HYDRODYNAMICS; TARGETS; SYSTEM AB To support direct-drive inertial confinement fusion experiments at the National Ignition Facility (NIF) [G. H. Miller, E. I. Moses, and C. R. Wuest, Opt. Eng. 43, 2841 (2004)] in its indirect-drive beam configuration, the polar-direct-drive (PDD) concept [S. Skupsky et al., Phys. Plasmas 11, 2763 (2004)] has been proposed. Ignition in PDD geometry requires direct-drive-specific beam smoothing, phase plates, and repointing the NIF beams toward the equator to ensure symmetric target irradiation. First experiments to study the energetics and preheat in PDD implosions at the NIF have been performed. These experiments utilize the NIF in its current configuration, including beam geometry, phase plates, and beam smoothing. Room-temperature, 2.2-mm-diam plastic shells filled with D-2 gas were imploded with total drive energies ranging from similar to 500 to 750 kJ with peak powers of 120 to 180 TW and peak on-target irradiances at the initial target radius from 8 x 10(14) to 1.2 x 10(15) W/cm(2). Results from these initial experiments are presented, including measurements of shell trajectory, implosion symmetry, and the level of hot-electron preheat in plastic and Si ablators. Experiments are simulated with the 2-D hydrodynamics code DRACO including a full 3-D ray-trace to model oblique beams, and models for nonlocal electron transport and cross-beam energy transport (CBET). These simulations indicate that CBET affects the shell symmetry and leads to a loss of energy imparted onto the shell, consistent with the experimental data. (c) 2015 AIP Publishing LLC. C1 [Hohenberger, M.; Radha, P. B.; Myatt, J. F.; Marozas, J. A.; Marshall, F. J.; Michel, D. T.; Regan, S. P.; Seka, W.; Shvydky, A.; Sangster, T. C.; Betti, R.; Boehly, T. R.; Bonino, M. J.; Collins, T. J. B.; Craxton, R. S.; Delettrez, J. A.; Edgell, D. H.; Epstein, R.; Fiksel, G.; Froula, D. H.; Goncharov, V. N.; Harding, D. R.; Kessler, T. J.; Knauer, J. P.; Lafon, M.; McCrory, R. L.; McKenty, P. W.; Meyerhofer, D. D.; Rosenberg, M. J.; Skupsky, S.; Solodov, A. A.; Stoeckl, C.; Yaakobi, B.; Zuegel, J. D.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [LePape, S.; Casey, D. T.; Kalantar, D. H.; LaFortune, K. N.; MacGowan, B. J.; Mackinnon, A. J.; MacPhee, A. G.; Meeker, J. F.; Nagel, S. R.; Ralph, J. E.; Wallace, R. J.; Widmayer, C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bates, J. W.; Karasik, M.; Obenschain, S.; Schmitt, A. J.; Weaver, J.] US Naval Res Lab, Washington, DC 20375 USA. [Fitzsimmons, P.; Kilkenny, J. D.; Kurz, C.; Nikroo, A.] Gen Atom Co, San Diego, CA 92121 USA. [Frenje, J. A.; Petrasso, R. D.; Rinderknecht, H. G.] MIT, Cambridge, MA 02139 USA. RP Hohenberger, M (reprint author), Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA. RI lepape, sebastien/J-3010-2015; MacKinnon, Andrew/P-7239-2014 OI MacKinnon, Andrew/0000-0002-4380-2906 FU Department of Energy National Nuclear Security Administration [DE-NA0001944]; University of Rochester; New York State Energy Research and Development Authority; DOE [LLNL-JRNL-664443] FX This material was based upon work supported by the Department of Energy National Nuclear Security Administration under Award No. DE-NA0001944, the University of Rochester, and the New York State Energy Research and Development Authority. The support of DOE does not constitute an endorsement by DOE of the views expressed in this article (LLNL-JRNL-664443). NR 75 TC 18 Z9 18 U1 4 U2 33 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 MAY PY 2015 VL 22 IS 5 AR 056308 DI 10.1063/1.4920958 PG 15 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300133 ER PT J AU Holcomb, CT Heidbrink, WW Ferron, JR Van Zeeland, MA Garofalo, AM Solomon, WM Gong, X Mueller, D Grierson, B Bass, EM Collins, C Park, JM Kim, K Luce, TC Turco, F Pace, DC Ren, Q Podesta, M AF Holcomb, C. T. Heidbrink, W. W. Ferron, J. R. Van Zeeland, M. A. Garofalo, A. M. Solomon, W. M. Gong, X. Mueller, D. Grierson, B. Bass, E. M. Collins, C. Park, J. M. Kim, K. Luce, T. C. Turco, F. Pace, D. C. Ren, Q. Podesta, M. TI Fast-ion transport in q(min) > 2, high-beta steady-state scenarios on DIII-D SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID AXISYMMETRICAL TOROIDAL PLASMAS; D TOKAMAK; MHD STABILITY; CONFINEMENT; SHEAR; CODE; DISCHARGES; PROFILE; LIMITS AB Results from experiments on DIII-D [J. L. Luxon, Fusion Sci. Technol. 48, 828 (2005)] aimed at developing high beta steady-state operating scenarios with high-q(min) confirm that fast-ion transport is a critical issue for advanced tokamak development using neutral beam injection current drive. In DIII-D, greater than 11 MW of neutral beam heating power is applied with the intent of maximizing beta(N) and the noninductive current drive. However, in scenarios with q(min) > 2 that target the typical range of q(95) = 5-7 used in next-step steady-state reactor models, Alfven eigenmodes cause greater fast-ion transport than classical models predict. This enhanced transport reduces the absorbed neutral beam heating power and current drive and limits the achievable beta(N). In contrast, similar plasmas except with q(min) just above 1 have approximately classical fast-ion transport. Experiments that take q(min) > 3 plasmas to higher beta(P) with q(95) = 11-12 for testing long pulse operation exhibit regimes of better than expected thermal confinement. Compared to the standard high-q(min) scenario, the high beta(P) cases have shorter slowing-down time and lower del beta(fast), and this reduces the drive for Alfvenic modes, yielding nearly classical fast-ion transport, high values of normalized confinement, beta(N), and noninductive current fraction. These results suggest DIII-D might obtain better performance in lower-q(95), high-q(min) plasmas using broader neutral beam heating profiles and increased direct electron heating power to lower the drive for Alfven eigenmodes. (C) 2015 AIP Publishing LLC. C1 [Holcomb, C. T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Heidbrink, W. W.; Collins, C.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Ferron, J. R.; Van Zeeland, M. A.; Garofalo, A. M.; Bass, E. M.; Luce, T. C.; Pace, D. C.] Gen Atom Co, San Diego, CA 92186 USA. [Solomon, W. M.; Mueller, D.; Grierson, B.; Podesta, M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Gong, X.; Ren, Q.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Anhui, Peoples R China. [Park, J. M.; Kim, K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Turco, F.] Columbia Univ, New York, NY 10027 USA. RP Holcomb, CT (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-FC02-04ER54698, DE-AC52-07NA27344, SC-G903402, DE-AC02-09CH11466, DE-AC05-00OR22725, DE-FG02-04ER54761] FX This material was 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 Award Nos. DE-FC02-04ER54698, DE-AC52-07NA27344, SC-G903402, DE-AC02-09CH11466, DE-AC05-00OR22725, and DE-FG02-04ER54761. 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. NR 42 TC 5 Z9 5 U1 0 U2 10 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 MAY PY 2015 VL 22 IS 5 AR UNSP 055904 DI 10.1063/1.4921152 PG 12 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300107 ER PT J AU Hollmann, EM Parks, PB Commaux, N Eidietis, NW Moyer, RA Shiraki, D Austin, ME Lasnier, CJ Paz-Soldan, C Rudakov, DL AF Hollmann, E. M. Parks, P. B. Commaux, N. Eidietis, N. W. Moyer, R. A. Shiraki, D. Austin, M. E. Lasnier, C. J. Paz-Soldan, C. Rudakov, D. L. TI Measurement of runaway electron energy distribution function during high-Z gas injection into runaway electron plateaus in DIII-D SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID MOMENTUM-SPACE; AVALANCHE; TOKAMAK AB The evolution of the runaway electron (RE) energy distribution function f(epsilon) during massive gas injection into centered post-disruption runaway electron plateaus has been reconstructed. Overall, f(epsilon) is found to be much more skewed toward low energy than predicted by avalanche theory. The reconstructions also indicate that the RE pitch angle theta is not uniform, but tends to be large at low energies and small theta similar to 0.1-0.2 at high energies. Overall power loss from the RE plateau appears to be dominated by collisions with background free and bound electrons, leading to line radiation. However, the drag on the plasma current appears to be dominated by collisions with impurity ions in most cases. Synchrotron emission appears not to be significant for overall RE energy dissipation but may be important for limiting the peak RE energy. (C) 2015 AIP Publishing LLC. C1 [Hollmann, E. M.; Moyer, R. A.; Rudakov, D. L.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Parks, P. B.; Eidietis, N. W.; Paz-Soldan, C.] Gen Atom Co, San Diego, CA 92186 USA. [Commaux, N.; Shiraki, D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Austin, M. E.] Univ Texas Austin, Inst Fus Studies, Austin, TX 78712 USA. [Lasnier, C. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Hollmann, EM (reprint author), Univ Calif San Diego, 9500 Gilman Dr, La Jolla, CA 92093 USA. OI Moyer, Richard/0000-0002-3858-8159 FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-FG02-07ER54917, DE-FG03-97ER54415, DE-FC02-04ER54698, DE-AC05-00OR22725, DE-AC52-07NA27344, DE-AC05-06OR23100] FX This material was based upon work supported 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 Award Nos. DE-FG02-07ER54917, DE-FG03-97ER54415, DE-FC02-04ER54698, DE-AC05-00OR22725, DE-AC52-07NA27344, and DE-AC05-06OR23100. 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. NR 26 TC 5 Z9 5 U1 0 U2 15 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 MAY PY 2015 VL 22 IS 5 AR 056108 DI 10.1063/1.4921149 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300115 ER PT J AU Hopkins, LFB Le Pape, S Divol, L Meezan, NB Mackinnon, AJ Ho, DD Jones, OS Khan, S Milovich, JL Ross, JS Amendt, P Casey, D Celliers, PM Pak, A Peterson, JL Ralph, J Rygg, JR AF Hopkins, L. F. Berzak Le Pape, S. Divol, L. Meezan, N. B. Mackinnon, A. J. Ho, D. D. Jones, O. S. Khan, S. Milovich, J. L. Ross, J. S. Amendt, P. Casey, D. Celliers, P. M. Pak, A. Peterson, J. L. Ralph, J. Rygg, J. R. TI Near-vacuum hohlraums for driving fusion implosions with high density carbon ablators SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID NATIONAL-IGNITION-FACILITY; COLLIDING PLASMAS; TARGETS; INTERPENETRATION; SIMULATIONS AB Recent experiments at the National Ignition Facility [M. J. Edwards et al., Phys. Plasmas 20, 070501 (2013)] have explored driving high-density carbon ablators with near-vacuum hohlraums, which use a minimal amount of helium gas fill. These hohlraums show improved efficiency relative to conventional gas-filled hohlraums in terms of minimal backscatter, minimal generation of supra-thermal electrons, and increased hohlraum-capsule coupling. Given these advantages, near-vacuum hohlraums are a promising choice for pursuing high neutron yield implosions. Long pulse symmetry control, though, remains a challenge, as the hohlraum volume fills with material. Two mitigation methodologies have been explored, dynamic beam phasing and increased case-to-capsule ratio (larger hohlraum size relative to capsule). Unexpectedly, experiments have demonstrated that the inner laser beam propagation is better than predicted by nominal simulations, and an enhanced beam propagation model is required to match measured hot spot symmetry. Ongoing work is focused on developing a physical model which captures this enhanced propagation and on utilizing the enhanced propagation to drive longer laser pulses than originally predicted in order to reach alpha-heating dominated neutron yields. (c) 2015 AIP Publishing LLC. C1 [Hopkins, L. F. Berzak; Le Pape, S.; Divol, L.; Meezan, N. B.; Mackinnon, A. J.; Ho, D. D.; Jones, O. S.; Khan, S.; Milovich, J. L.; Ross, J. S.; Amendt, P.; Casey, D.; Celliers, P. M.; Pak, A.; Peterson, J. L.; Ralph, J.; Rygg, J. R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Hopkins, LFB (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RI lepape, sebastien/J-3010-2015; MacKinnon, Andrew/P-7239-2014 OI MacKinnon, Andrew/0000-0002-4380-2906 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors sincerely thank the NIF operations, laser, target fabrication, and diagnostic teams for their efforts during these experiments. 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 38 TC 13 Z9 13 U1 3 U2 15 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 MAY PY 2015 VL 22 IS 5 AR 056318 DI 10.1063/1.4921151 PG 8 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300143 ER PT J AU Hu, SX Goncharov, VN Boehly, TR McCrory, RL Skupsky, S Collins, LA Kress, JD Militzer, B AF Hu, S. X. Goncharov, V. N. Boehly, T. R. McCrory, R. L. Skupsky, S. Collins, L. A. Kress, J. D. Militzer, B. TI Impact of first-principles properties of deuterium-tritium on inertial confinement fusion target designs SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID EQUATION-OF-STATE; MOLECULAR-DYNAMICS SIMULATIONS; LIQUID DEUTERIUM; DENSE HYDROGEN; HIGH-DENSITIES; PLASMAS; COMPRESSION; CONDUCTION; MATTER; FLUID AB A comprehensive knowledge of the properties of high-energy-density plasmas is crucial to understanding and designing low-adiabat, inertial confinement fusion (ICF) implosions through hydrodynamic simulations. Warm-dense-matter (WDM) conditions are routinely accessed by low-adiabat ICF implosions, in which strong coupling and electron degeneracy often play an important role in determining the properties of warm dense plasmas. The WDM properties of deuterium-tritium (DT) mixtures and ablator materials, such as the equation of state, thermal conductivity, opacity, and stopping power, were usually estimated by models in hydro-codes used for ICF simulations. In these models, many-body and quantum effects were only approximately taken into account in the WMD regime. Moreover, the self-consistency among these models was often missing. To examine the accuracy of these models, we have systematically calculated the static, transport, and optical properties of warm dense DT plasmas, using first-principles (FP) methods over a wide range of densities and temperatures that cover the ICF "path" to ignition. These FP methods include the path-integral Monte Carlo (PIMC) and quantum-molecular dynamics (QMD) simulations, which treat electrons with many-body quantum theory. The first-principles equation-of-state table, thermal conductivities (kappa(QMD)), and first principles opacity table of DT have been self-consistently derived from the combined PIMC and QMD calculations. They have been compared with the typical models, and their effects to ICF simulations have been separately examined in previous publications. In this paper, we focus on their combined effects to ICF implosions through hydro-simulations using these FP-based properties of DT in comparison with the usual model simulations. We found that the predictions of ICF neutron yield could change by up to a factor of similar to 2.5; the lower the adiabat of DT capsules, the more variations in hydro-simulations. The FP-based properties of DT are essential for designing ICF ignition targets. Future work on first-principles studies of ICF ablator materials is also discussed. (c) 2015 AIP Publishing LLC. C1 [Hu, S. X.; Goncharov, V. N.; Boehly, T. R.; McCrory, R. L.; Skupsky, S.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Collins, L. A.; Kress, J. D.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Militzer, B.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Militzer, B.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [McCrory, R. L.] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA. [McCrory, R. L.] Univ Rochester, Dept Mech Engn, Rochester, NY 14627 USA. RP Hu, SX (reprint author), Univ Rochester, Laser Energet Lab, 250 East River Rd, Rochester, NY 14623 USA. EM shu@lle.rochester.edu RI Hu, Suxing/A-1265-2007 OI Hu, Suxing/0000-0003-2465-3818 FU Department of Energy National Nuclear Security Administration [DE-NA0001944]; University of Rochester; New York State Energy Research and Development Authority; Scientific Campaign 10 at the Los Alamos National Laboratory [DE-AC52-06NA25396]; NSF; NASA FX This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award No. DE-NA0001944, the University of Rochester, and the New York State Energy Research and Development Authority. The support of DOE does not constitute an endorsement by DOE of the views expressed in this article. This work was also supported by Scientific Campaign 10 at the Los Alamos National Laboratory, operated by Los Alamos National Security, LLC for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. BM acknowledges support from NSF and NASA. NR 122 TC 8 Z9 8 U1 1 U2 25 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 MAY PY 2015 VL 22 IS 5 AR 056304 DI 10.1063/1.4917477 PG 14 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300129 ER PT J AU Jennings, CA Ampleford, DJ Lamppa, DC Hansen, SB Jones, B Harvey-Thompson, AJ Jobe, M Strizic, T Reneker, J Rochau, GA Cuneo, ME AF Jennings, C. A. Ampleford, D. J. Lamppa, D. C. Hansen, S. B. Jones, B. Harvey-Thompson, A. J. Jobe, M. Strizic, T. Reneker, J. Rochau, G. A. Cuneo, M. E. TI Computational modeling of Krypton gas puffs with tailored mass density profiles on Z SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID Z-PINCH LOADS; Z MACHINE; RADIATION; DISTRIBUTIONS; SIMULATIONS AB Large diameter multi-shell gas puffs rapidly imploded by high current (similar to 20 MA, similar to 100 ns) on the Z generator of Sandia National Laboratories are able to produce high-intensity Krypton K-shell emission at similar to 13 keV. Efficiently radiating at these high photon energies is a significant challenge which requires the careful design and optimization of the gas distribution. To facilitate this, we hydrodynamically model the gas flow out of the nozzle and then model its implosion using a 3-dimensional resistive, radiative MHD code (GORGON). This approach enables us to iterate between modeling the implosion and gas flow from the nozzle to optimize radiative output from this combined system. Guided by our implosion calculations, we have designed gas profiles that help mitigate disruption from Magneto-Rayleigh-Taylor implosion instabilities, while preserving sufficient kinetic energy to thermalize to the high temperatures required for K-shell emission. (c) 2015 AIP Publishing LLC. C1 [Jennings, C. A.; Ampleford, D. J.; Lamppa, D. C.; Hansen, S. B.; Jones, B.; Harvey-Thompson, A. J.; Jobe, M.; Strizic, T.; Reneker, J.; Rochau, G. A.; Cuneo, M. E.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Jennings, CA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU Defense Threat Reduction Agency; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to gratefully acknowledge C. Nakhleh, D. B. Sinars, and K. Peterson for programmatic support. We thank J. P. Chittenden at Imperial College, London for many useful discussions, and development of the GORGON MHD code. We thank J. Guiliani, J. W. Thornhill, and A. L. Velikovich at the Naval Research Laboratory for many useful discussions on the modeling of K-shell sources. Gas nozzle assembly and characterization were performed in the SITF facility, so we thank those team members, Ronald Kaye for programmatic support, and the support of the Defense Threat Reduction Agency. We thank M. Krishnan, P. L. Coleman, and their colleagues at Alameda Applied Science Corporation for the development of gas puff infrastructure, and for many useful discussions. 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 34 TC 5 Z9 5 U1 1 U2 7 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 MAY PY 2015 VL 22 IS 5 AR 056316 DI 10.1063/1.4921154 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300141 ER PT J AU Kemp, GE Colvin, JD Fournier, KB May, MJ Barrios, MA Patel, MV Scott, HA Marinak, MM AF Kemp, G. E. Colvin, J. D. Fournier, K. B. May, M. J. Barrios, M. A. Patel, M. V. Scott, H. A. Marinak, M. M. TI Simulation study of 3-5 keV x-ray conversion efficiency from Ar K-shell vs. Ag L-shell targets on the National Ignition Facility laser SO PHYSICS OF PLASMAS LA English DT Article ID ATOMIC-NUMBER; PLASMA SOURCE; EMISSION; MODEL AB Tailored, high-flux, multi-keV x-ray sources are desirable for studying x-ray interactions with matter for various civilian, space and military applications. For this study, we focus on designing an efficient laser-driven non-local thermodynamic equilibrium 3-5 keV x-ray source from photon-energy-matched Ar K-shell and Ag L-shell targets at sub-critical densities (similar to n(c)/10) to ensure supersonic, volumetric laser heating with minimal losses to kinetic energy, thermal x rays and laser-plasma instabilities. Using HYDRA, a multi-dimensional, arbitrary Lagrangian-Eulerian, radiation-hydrodynamics code, we performed a parameter study by varying initial target density and laser parameters for each material using conditions readily achievable on the National Ignition Facility (NIF) laser. We employ a model, benchmarked against Kr data collected on the NIF, that uses flux-limited Lee-More thermal conductivity and multi-group implicit Monte-Carlo photonics with non-local thermodynamic equilibrium, detailed super-configuration accounting opacities from CRETIN, an atomic-kinetics code. While the highest power laser configurations produced the largest x-ray yields, we report that the peak simulated laser to 3-5 keV x-ray conversion efficiencies of 17.7% and 36.4% for Ar and Ag, respectively, occurred at lower powers between similar to 100-150 TW. For identical initial target densities and laser illumination, the Ag L-shell is observed to have >= 10x higher emissivity per ion per deposited laser energy than the Ar K-shell. Although such low-density Ag targets have not yet been demonstrated, simulations of targets fabricated using atomic layer deposition of Ag on silica aerogels (similar to 20% by atomic fraction) suggest similar performance to atomically pure metal foams and that either fabrication technique may be worth pursuing for an efficient 3-5 keV x-ray source on NIF. (C) 2015 AIP Publishing LLC. C1 [Kemp, G. E.; Colvin, J. D.; Fournier, K. B.; May, M. J.; Barrios, M. A.; Patel, M. V.; Scott, H. A.; Marinak, M. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Kemp, GE (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM kemp10@llnl.gov OI Patel, Mehul/0000-0002-0486-010X FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; DTRA (IACRO) [42381] FX The authors gratefully acknowledge many useful conversations with F. Perez, M. Biener, K. Widmann, S. Regan, J. Fisher, D. Newlander, T. E. Felter, Kai Liu, S. Kucheyev, S. Seiler, and J. Davis. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344 with partial funding from DTRA Basic Research grant (IACRO #42381). NR 39 TC 3 Z9 3 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 MAY PY 2015 VL 22 IS 5 AR 053110 DI 10.1063/1.4921250 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300063 ER PT J AU Knapp, PF Schmit, PF Hansen, SB Gomez, MR Hahn, KD Sinars, DB Peterson, KJ Slutz, SA Sefkow, AB Awe, TJ Harding, E Jennings, CA Desjarlais, MP Chandler, GA Cooper, GW Cuneo, ME Geissel, M Harvey-Thompson, AJ Porter, JL Rochau, GA Rovang, DC Ruiz, CL Savage, ME Smith, IC Stygar, WA Herrmann, MC AF Knapp, P. F. Schmit, P. F. Hansen, S. B. Gomez, M. R. Hahn, K. D. Sinars, D. B. Peterson, K. J. Slutz, S. A. Sefkow, A. B. Awe, T. J. Harding, E. Jennings, C. A. Desjarlais, M. P. Chandler, G. A. Cooper, G. W. Cuneo, M. E. Geissel, M. Harvey-Thompson, A. J. Porter, J. L. Rochau, G. A. Rovang, D. C. Ruiz, C. L. Savage, M. E. Smith, I. C. Stygar, W. A. Herrmann, M. C. TI Effects of magnetization on fusion product trapping and secondary neutron spectra SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID INERTIAL CONFINEMENT FUSION; PARTICLE STOPPING POWERS; CYLINDRICAL GEOMETRY; IGNITION CONDITIONS; TARGET FUSION; AREAL DENSITY; NUCLEAR-DATA; ICF TARGETS; IMPLOSIONS; DRIVEN AB By magnetizing the fusion fuel in inertial confinement fusion (ICF) systems, the required stagnation pressure and density can be relaxed dramatically. This happens because the magnetic field insulates the hot fuel from the cold pusher and traps the charged fusion burn products. This trapping allows the burn products to deposit their energy in the fuel, facilitating plasma self-heating. Here, we report on a comprehensive theory of this trapping in a cylindrical DD plasma magnetized with a purely axial magnetic field. Using this theory, we are able to show that the secondary fusion reactions can be used to infer the magnetic field-radius product, BR, during fusion burn. This parameter, not rho R, is the primary confinement parameter in magnetized ICF. Using this method, we analyze data from recent Magnetized Liner Inertial Fusion experiments conducted on the Z machine at Sandia National Laboratories. We show that in these experiments BR approximate to 0.34(+0.14/-0.06) MG.cm, a similar to 14 x increase in BR from the initial value, and confirming that the DD-fusion tritons are magnetized at stagnation. This is the first experimental verification of charged burn product magnetization facilitated by compression of an initial seed magnetic flux. (c) 2015 AIP Publishing LLC. C1 [Knapp, P. F.; Schmit, P. F.; Hansen, S. B.; Gomez, M. R.; Hahn, K. D.; Sinars, D. B.; Peterson, K. J.; Slutz, S. A.; Sefkow, A. B.; Awe, T. J.; Harding, E.; Jennings, C. A.; Desjarlais, M. P.; Chandler, G. A.; Cooper, G. W.; Cuneo, M. E.; Geissel, M.; Harvey-Thompson, A. J.; Porter, J. L.; Rochau, G. A.; Rovang, D. C.; Ruiz, C. L.; Savage, M. E.; Smith, I. C.; Stygar, W. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Herrmann, M. C.] Lawerence Livermore Natl Labs, Livermore, CA 94550 USA. RP Knapp, PF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU Sandia National Laboratories Truman Fellowship in National Security Science and Engineering [165746]; Sandia Corporation; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX One of the authors (P.F.S.) was supported by an appointment to the Sandia National Laboratories Truman Fellowship in National Security Science and Engineering, which is part of the Laboratory Directed Research and Development (LDRD) Program, Project No. 165746, and sponsored by Sandia Corporation. 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 38 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 MAY PY 2015 VL 22 IS 5 AR 056312 DI 10.1063/1.4920948 PG 20 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300137 ER PT J AU Koshkarov, O Smolyakov, AI Kaganovich, ID Ilgisonis, VI AF Koshkarov, O. Smolyakov, A. I. Kaganovich, I. D. Ilgisonis, V. I. TI Ion sound instability driven by the ion flows SO PHYSICS OF PLASMAS LA English DT Article ID ELECTRON-BEAMS; ACOUSTIC-WAVES; PIERCE DIODE; DYNAMICS; PLASMAS AB Ion sound instabilities driven by the ion flow in a system of a finite length are considered by analytical and numerical methods. The ion sound waves are modified by the presence of stationary ion flow resulting in negative and positive energy modes. The instability develops due to coupling of negative and positive energy modes mediated by reflections from the boundary. It is shown that the wave dispersion due to deviation from quasineutrality is crucial for the stability. In finite length system, the dispersion is characterized by the length of the system measured in units of the Debye length. The instability is studied analytically and the results are compared with direct, initial value numerical simulations. (C) 2015 AIP Publishing LLC. C1 [Koshkarov, O.; Smolyakov, A. I.] Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada. [Kaganovich, I. D.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Smolyakov, A. I.; Ilgisonis, V. I.] Kurchatov Inst, NRC, Moscow, Russia. RP Koshkarov, O (reprint author), Univ Saskatchewan, Dept Phys & Engn Phys, 116 Sci Pl, Saskatoon, SK S7N 5E2, Canada. EM koshkarov.alexandr@usask.ca RI Ilgisonis, Victor/O-3218-2013 OI Ilgisonis, Victor/0000-0002-4874-3503 FU NSERC of Canada; U.S. Air Force Office of Scientific Research FX This work was supported in part by NSERC of Canada and U.S. Air Force Office of Scientific Research. NR 32 TC 3 Z9 3 U1 4 U2 19 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 MAY PY 2015 VL 22 IS 5 AR 052113 DI 10.1063/1.4921333 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300017 ER PT J AU Kraus, D Vorberger, J Helfrich, J Gericke, DO Bachmann, B Bagnoud, V Barbrel, B Blazevic, A Carroll, DC Cayzac, W Doppner, T Fletcher, LB Frank, A Frydrych, S Gamboa, EJ Gauthier, M Gode, S Granados, E Gregori, G Hartley, NJ Kettle, B Lee, HJ Nagler, B Neumayer, P Notley, MM Ortner, A Otten, A Ravasio, A Riley, D Roth, F Schaumann, G Schumacher, D Schumaker, W Siegenthaler, K Spindloe, C Wagner, F Wunsch, K Glenzer, SH Roth, M Falcone, RW AF Kraus, D. Vorberger, J. Helfrich, J. Gericke, D. O. Bachmann, B. Bagnoud, V. Barbrel, B. Blazevic, A. Carroll, D. C. Cayzac, W. Doeppner, T. Fletcher, L. B. Frank, A. Frydrych, S. Gamboa, E. J. Gauthier, M. Goede, S. Granados, E. Gregori, G. Hartley, N. J. Kettle, B. Lee, H. J. Nagler, B. Neumayer, P. Notley, M. M. Ortner, A. Otten, A. Ravasio, A. Riley, D. Roth, F. Schaumann, G. Schumacher, D. Schumaker, W. Siegenthaler, K. Spindloe, C. Wagner, F. Wuensch, K. Glenzer, S. H. Roth, M. Falcone, R. W. TI The complex ion structure of warm dense carbon measured by spectrally resolved x-ray scattering SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID SHOCK-COMPRESSED MATTER; THOMSON SCATTERING; PHASE-TRANSITION; PLASMAS; GRAPHITE; URANUS; DYNAMICS; INTERIOR; NEPTUNE; GPA AB We present measurements of the complex ion structure of warm dense carbon close to the melting line at pressures around 100 GPa. High-pressure samples were created by laser-driven shock compression of graphite and probed by intense laser-generated x-ray sources with photon energies of 4.75 keV and 4.95 keV. High-efficiency crystal spectrometers allow for spectrally resolving the scattered radiation. Comparing the ratio of elastically and inelastically scattered radiation, we find evidence for a complex bonded liquid that is predicted by ab-initio quantum simulations showing the influence of chemical bonds under these conditions. Using graphite samples of different initial densities we demonstrate the capability of spectrally resolved x-ray scattering to monitor the carbon solid-liquid transition at relatively constant pressure of 150 GPa. Showing first single-pulse scattering spectra from cold graphite of unprecedented quality recorded at the Linac Coherent Light Source, we demonstrate the outstanding possibilities for future high-precision measurements at 4th Generation Light Sources. (c) 2015 AIP Publishing LLC. C1 [Kraus, D.; Barbrel, B.; Falcone, R. W.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Vorberger, J.] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany. [Helfrich, J.; Frydrych, S.; Ortner, A.; Otten, A.; Roth, F.; Schaumann, G.; Schumacher, D.; Siegenthaler, K.; Wagner, F.; Roth, M.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Gericke, D. O.; Wuensch, K.] Univ Warwick, Dept Phys, Ctr Fus Space & Astrophys, Coventry CV4 7AL, W Midlands, England. [Bachmann, B.; Doeppner, T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bagnoud, V.; Blazevic, A.; Cayzac, W.; Neumayer, P.] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany. [Carroll, D. C.; Notley, M. M.; Spindloe, C.] STFC Rutherford Appleton Lab, Cent Laser Facil, Didcot OX11 0QX, Oxon, England. [Fletcher, L. B.; Gamboa, E. J.; Gauthier, M.; Goede, S.; Granados, E.; Lee, H. J.; Nagler, B.; Ravasio, A.; Schumaker, W.; Glenzer, S. H.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94309 USA. [Frank, A.] Helmholtz Inst Jena, D-07743 Jena, Germany. [Gregori, G.; Hartley, N. J.] Univ Oxford, Dept Phys, Oxford OX1 3PU, England. [Kettle, B.; Riley, D.] Queens Univ Belfast, Ctr Plasma Phys, Belfast BT7 1NN, Antrim, North Ireland. RP Kraus, D (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Bagnoud, Vincent/K-4266-2015; OI Bagnoud, Vincent/0000-0003-1512-4578; Granados, Eduardo/0000-0002-6549-9303 FU BMBF [05P12RDFA1, 06DA9043I]; SSAA program Contract [DE-FG52-06NA26212]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515] FX This work was supported by BMBF Projects 05P12RDFA1 and 06DA9043I. R.W.F. and D.K. acknowledge support from SSAA program Contract No. DE-FG52-06NA26212. Use of the Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. NR 56 TC 4 Z9 4 U1 3 U2 31 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 MAY PY 2015 VL 22 IS 5 AR 056307 DI 10.1063/1.4920943 PG 7 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300132 ER PT J AU Liu, C Fox, W Bhattacharjee, A AF Liu, C. Fox, W. Bhattacharjee, A. TI Heat flux viscosity in collisional magnetized plasmas SO PHYSICS OF PLASMAS LA English DT Article ID FOKKER-PLANCK EQUATION; LASER-PRODUCED PLASMAS; TRANSPORT-COEFFICIENTS; FIELD AB Momentum transport in collisional magnetized plasmas due to gradients in the heat flux, a "heat flux viscosity," is demonstrated. Even though no net particle flux is associated with a heat flux, in a plasma there can still be momentum transport owing to the velocity dependence of the Coulomb collision frequency, analogous to the thermal force. This heat-flux viscosity may play an important role in numerous plasma environments, in particular, in strongly driven high-energy-density plasma, where strong heat flux can dominate over ordinary plasma flows. The heat flux viscosity can influence the dynamics of the magnetic field in plasmas through the generalized Ohm's law and may therefore play an important role as a dissipation mechanism allowing magnetic field line reconnection. The heat flux viscosity is calculated directly using the finite-difference method of Epperlein and Haines [Phys. Fluids 29, 1029 (1986)], which is shown to be more accurate than Braginskii's method [S. I. Braginskii, Rev. Plasma Phys. 1, 205 (1965)], and confirmed with one-dimensional collisional particle-in-cell simulations. The resulting transport coefficients are tabulated for ease of application. (C) 2015 AIP Publishing LLC. C1 [Liu, C.; Bhattacharjee, A.] Princeton Univ, Princeton, NJ 08544 USA. [Fox, W.; Bhattacharjee, A.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Liu, C (reprint author), Princeton Univ, Princeton, NJ 08544 USA. EM cliu@pppl.gov OI Fox, William/0000-0001-6289-858X FU National Science Foundation [ACI-1053575]; U.S. Department of Energy [DE-AC02-05CH11231, DE-SC0008655] FX We thank A. S. Joglekar, A. G. R. Thomas, and J.-Y. Ji for very helpful discussions. The PIC simulations were conducted on the Kraken supercomputer from the Extreme Science and Engineering Discovery Environment (XSEDE), which was supported by National Science Foundation Grant No. ACI-1053575, and the Hopper supercomputer from the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This work was supported by the U.S. Department of Energy under Contract No. DE-SC0008655. NR 24 TC 1 Z9 1 U1 2 U2 8 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 MAY PY 2015 VL 22 IS 5 AR 053302 DI 10.1063/1.4918941 PG 8 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300069 ER PT J AU Lore, JD Reinke, ML Brunner, D LaBombard, B Lipschultz, B Terry, J Pitts, RA Feng, Y AF Lore, J. D. Reinke, M. L. Brunner, D. LaBombard, B. Lipschultz, B. Terry, J. Pitts, R. A. Feng, Y. TI Three-dimensional simulation of H-mode plasmas with localized divertor impurity injection on Alcator C-Mod using the edge transport code EMC3-EIRENE SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA AB Experiments in Alcator C-Mod to assess the level of toroidal asymmetry in divertor conditions resulting from poloidally and toroidally localized extrinsic impurity gas seeding show a weak toroidal peaking (similar to 1.1) in divertor electron temperatures for high-power enhanced D-alpha H-mode plasmas. This is in contrast to similar experiments in Ohmically heated L-mode plasmas, which showed a clear toroidal modulation in the divertor electron temperature. Modeling of these experiments using the 3D edge transport code EMC3-EIRENE [Y. Feng et al., J. Nucl. Mater. 241, 930 (1997)] qualitatively reproduces these trends, and indicates that the different response in the simulations is due to the ionization location of the injected nitrogen. Low electron temperatures in the private flux region (PFR) in L-mode result in a PFR plasma that is nearly transparent to neutral nitrogen, while in H-mode the impurities are ionized in close proximity to the injection location, with this latter case yielding a largely axisymmetric radiation pattern in the scrape-off-layer. The consequences for the ITER gas injection system are discussed. Quantitative agreement with the experiment is lacking in some areas, suggesting potential areas for improving the physics model in EMC3-EIRENE. (C) 2015 AIP Publishing LLC. C1 [Lore, J. D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Reinke, M. L.; Lipschultz, B.] Univ York, Dept Phys, York Plasma Inst, York YO10 5DD, N Yorkshire, England. [Brunner, D.; LaBombard, B.; Terry, J.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Pitts, R. A.] ITER Org, F-13067 St Paul Les Durance, France. [Feng, Y.] Max Planck Inst Plasma Phys, Greifswald, Germany. RP Lore, JD (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM lorejd@ornl.gov RI Lipschultz, Bruce/J-7726-2012; OI Lipschultz, Bruce/0000-0001-5968-3684; Lore, Jeremy/0000-0002-9192-465X FU D.O.E. [DE-AC05-00OR22725, DE-FC02-99ER54512]; U.S. Department of Energy [DE-AC05-00OR22725]; Department of Energy FX This work was supported by D.O.E. contracts DE-AC05-00OR22725 and DE-FC02-99ER54512. The views and opinions expressed herein do not necessarily reflect those of the ITER Organization.; 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 18 TC 2 Z9 2 U1 4 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 MAY PY 2015 VL 22 IS 5 AR 056106 DI 10.1063/1.4919393 PG 6 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300113 ER PT J AU Lu, ZX Wang, WX Diamond, PH Tynan, G Ethier, S Gao, C Rice, J AF Lu, Z. X. Wang, W. X. Diamond, P. H. Tynan, G. Ethier, S. Gao, C. Rice, J. TI Intrinsic torque reversals induced by magnetic shear effects on the turbulence spectrum in tokamak plasmas SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID INTERNAL TRANSPORT BARRIER; MOMENTUM-TRANSPORT; ROTATION; JET; CONFINEMENT; OPERATION; INPUT; MODES AB Intrinsic torque, which can be generated by turbulent stresses, can induce toroidal rotation in a tokamak plasma at rest without direct momentum injection. Reversals in intrinsic torque have been inferred from the observation of toroidal velocity changes in recent lower hybrid current drive (LHCD) experiments. This work focuses on understanding the cause of LHCD-induced intrinsic torque reversal using gyrokinetic simulations and theoretical analyses. A new mechanism for the intrinsic torque reversal linked to magnetic shear ((S) over cap) effects on the turbulence spectrum is identified. This reversal is a consequence of the ballooning structure at weak (s) over cap. Based on realistic profiles from the Alcator C-Mod LHCD experiments, simulations demonstrate that the intrinsic torque reverses for weak discharges and that the value of (S) over cap (crit) is consistent with the experimental results (S) over cap (exp)(crit) approximate to 0.2 similar to 0: 3 [Rice et al., Phys. Rev. Lett. 111, 125003 (2013)]. The consideration of this intrinsic torque feature in our work is important for the understanding of rotation profile generation at weak (S) over cap and its consequent impact on macro-instability stabilization and micro-turbulence reduction, which is crucial for ITER. It is also relevant to internal transport barrier formation at negative or weakly positive (s) over cap. (C) 2015 AIP Publishing LLC. C1 [Lu, Z. X.; Tynan, G.] Univ Calif San Diego, Energy Res Ctr, San Diego, CA 92093 USA. [Lu, Z. X.; Tynan, G.] Univ Calif San Diego, Dept Mech & Aerosp Engn, San Diego, CA 92093 USA. [Lu, Z. X.; Diamond, P. H.; Tynan, G.] Univ Calif San Diego, Ctr Momentum Transport & Flow Org, San Diego, CA 92093 USA. [Lu, Z. X.; Diamond, P. H.; Tynan, G.] Univ Calif San Diego, Ctr Astrophys & Space Sci, San Diego, CA 92093 USA. [Wang, W. X.; Ethier, S.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. [Gao, C.; Rice, J.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. RP Lu, ZX (reprint author), Univ Calif San Diego, Energy Res Ctr, San Diego, CA 92093 USA. FU CER; DOE [CMTFO DE-FG02-OER54871]; U.S. DOE-PPPL [DE-AC02-09CH11466] FX This work was supported by CER, DOE Grant for CMTFO DE-FG02-OER54871, and U.S. DOE-PPPL Contract No. DE-AC02-09CH11466. The support from L. Zakharov on equilibrium files and from J. Chen on computation is acknowledged. Simulations were performed on Edison at the National Energy Research Scientific Computing Center (NERSC). Z.L. appreciates the hospitality of PPPL during his visit. Z.L. appreciates the discussion with F. Zonca on 2D mode structure analysis. NR 42 TC 7 Z9 7 U1 0 U2 8 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 MAY PY 2015 VL 22 IS 5 AR UNSP 055705 DI 10.1063/1.4919395 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300100 ER PT J AU Lyons, BC Jardin, SC Ramos, JJ AF Lyons, B. C. Jardin, S. C. Ramos, J. J. TI Steady-state benchmarks of DK4D: A time-dependent, axisymmetric drift-kinetic equation solver SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID EDGE LOCALIZED MODES; NEOCLASSICAL TRANSPORT; TOKAMAK DISCHARGES; BOOTSTRAP CURRENT; LINEAR-SYSTEMS; PEDESTAL; STABILITY; GEOMETRY; PLASMAS; BARRIER AB The DK4D code has been written to solve a set of time-dependent, axisymmetric, finite-Larmor-radius drift-kinetic equations (DKEs) for the non-Maxwellian part of the electron and ion distribution functions using the full, linearized Fokker-Planck-Landau collision operator. The plasma is assumed to be in the low-to finite-collisionality regime, as is found in the cores of modern and future magnetic confinement fusion experiments. Each DKE is formulated such that the perturbed distribution function carries no net density, parallel momentum, or kinetic energy. Rather, these quantities are contained within the background Maxwellians and would be evolved by an appropriate set of extended magnetohydrodynamic (MHD) equations. This formulation allows for straight-forward coupling of DK4D to existing extended MHD time evolution codes. DK4D uses a mix of implicit and explicit temporal representations and finite element and spectral spatial representations. These, along with other computational methods used, are discussed extensively. Steady-state benchmarks are then presented comparing the results of DK4D to expected analytic results at low collisionality, qualitatively, and to the Sauter analytic fits for the neoclassical conductivity and bootstrap current, quantitatively. These benchmarks confirm that DK4D is capable of solving for the correct, gyroaveraged distribution function in stationary magnetic equilibria. Furthermore, the results presented demonstrate how the exact drift-kinetic solution varies with collisionality as a function of the magnetic moment and the poloidal angle. (C) 2015 AIP Publishing LLC. C1 [Lyons, B. C.] Princeton Univ, Princeton, NJ 08544 USA. [Jardin, S. C.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Ramos, J. J.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. RP Lyons, BC (reprint author), Princeton Univ, Princeton, NJ 08544 USA. OI jardin, stephen/0000-0001-6390-6908 FU U.S. Department of Energy [DEFC02-08ER54969, DEAC02-09CH11466]; SciDAC Center for Extended Magnetohydrodynamic Modeling (CEMM); Department of Energy (DOE) Office of Science Graduate Fellowship Program (DOE SCGF); DOE [DE-AC05-06OR23100] FX This work was sponsored in part by the U.S. Department of Energy under Grant Nos. DEFC02-08ER54969 and DEAC02-09CH11466 and the SciDAC Center for Extended Magnetohydrodynamic Modeling (CEMM).; This research was also supported in part by an award from the Department of Energy (DOE) Office of Science Graduate Fellowship Program (DOE SCGF). The DOE SCGF Program was made possible in part by the American Recovery and Reinvestment Act of 2009. The DOE SCGF program is administered by the Oak Ridge Institute for Science and Education for the DOE. ORISE is managed by Oak Ridge Associated Universities (ORAU) under DOE Contract No. DE-AC05-06OR23100. All opinions expressed in this paper are the authors' and do not necessarily reflect the policies and views of DOE, ORAU, or ORISE. NR 43 TC 1 Z9 1 U1 0 U2 9 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 MAY PY 2015 VL 22 IS 5 AR 056103 DI 10.1063/1.4918349 PG 13 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300110 ER PT J AU Ma, CH Xu, XQ Xi, PW Xia, TY Snyder, PB Kim, SS AF Ma, C. H. Xu, X. Q. Xi, P. W. Xia, T. Y. Snyder, P. B. Kim, S. S. TI Impact of inward turbulence spreading on energy loss of edge-localized modes SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID PLASMA MICROTURBULENCE; BALLOONING MODES; SIMULATIONS; TRANSPORT; DIVERTOR; TOKAMAK; CONFINEMENT; EQUATIONS AB Nonlinear two-fluid and gyrofluid simulations show that an edge localized modes (ELM) crash has two phases: fast initial crash of ion temperature perturbation on the Alfven time scale and slow turbulence spreading. The turbulence transport phase is a slow encroachment of electron temperature perturbation due to the ELM event into pedestal region. Because of the inward turbulence spreading effect, the energy loss of an ELM decreases when density pedestal height increases. The Landau resonance yields the different cross phase-shift of ions and electrons. A 3+1 gyro-Landau-fluid model is implemented in BOUT++ framework. The gyrofluid simulations show that the kinetic effects have stabilizing effects on the ideal ballooning mode and the energy loss increases with the pedestal height. (C) 2015 AIP Publishing LLC. C1 [Ma, C. H.; Xi, P. W.] Peking Univ, Fus Simulat Ctr, Beijing 100871, Peoples R China. [Ma, C. H.; Xi, P. W.] Peking Univ, Sch Phys, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [Ma, C. H.; Xu, X. Q.; Xi, P. W.; Xia, T. Y.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Xia, T. Y.] Chinese Acad Sci, Inst Plasma Phys, Hefei, Peoples R China. [Snyder, P. B.] Gen Atom Co, San Diego, CA 92186 USA. [Kim, S. S.] NFRI, WCI Ctr Fus Theory, Taejon, South Korea. RP Ma, CH (reprint author), Peking Univ, Fus Simulat Ctr, Beijing 100871, Peoples R China. FU U.S. DoE by LLNL [DE-AC52-7NA27344]; ITER-China Program [2013GB111000, 2013GB112006]; NSFC [11261140326]; CSC [201206010101]; Lawrence Livermore National Laboratory [LLNL-JRNL-664403] FX The authors wish to acknowledge P. Diamond, A. Dimits, M. V. Umansky, I. Joseph, J. F. Ma, and X. G. Wang for useful discussions. This work was performed under the auspices of the U.S. DoE by LLNL under Contract DE-AC52-7NA27344 and was supported by the ITER-China Program (NOs. 2013GB111000 and 2013GB112006), NSFC (No. 11261140326), and CSC (201206010101). Lawrence Livermore National Laboratory (IM number: LLNL-JRNL-664403). NR 42 TC 2 Z9 2 U1 3 U2 8 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 MAY PY 2015 VL 22 IS 5 AR 055903 DI 10.1063/1.4920963 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300106 ER PT J AU McBride, RD Slutz, SA AF McBride, Ryan D. Slutz, Stephen A. TI A semi-analytic model of magnetized liner inertial fusion SO PHYSICS OF PLASMAS LA English DT Article ID TARGET FUSION; CYLINDRICAL GEOMETRY; IGNITION CONDITIONS; CONFINEMENT FUSION; ICF TARGETS; COMPRESSION; PHYSICS; PLASMA; FIELD; GAIN AB Presented is a semi-analytic model of magnetized liner inertial fusion (MagLIF). This model accounts for several key aspects of MagLIF, including: (1) preheat of the fuel (optionally via laser absorption); (2) pulsed-power-driven liner implosion; (3) liner compressibility with an analytic equation of state, artificial viscosity, internal magnetic pressure, and ohmic heating; (4) adiabatic compression and heating of the fuel; (5) radiative losses and fuel opacity; (6) magnetic flux compression with Nernst thermoelectric losses; (7) magnetized electron and ion thermal conduction losses; (8) end losses; (9) enhanced losses due to prescribed dopant concentrations and contaminant mix; (10) deuterium-deuterium and deuterium-tritium primary fusion reactions for arbitrary deuterium to tritium fuel ratios; and (11) magnetized a-particle fuel heating. We show that this simplified model, with its transparent and accessible physics, can be used to reproduce the general 1D behavior presented throughout the original MagLIF paper [S. A. Slutz et al., Phys. Plasmas 17, 056303 (2010)]. We also discuss some important physics insights gained as a result of developing this model, such as the dependence of radiative loss rates on the radial fraction of the fuel that is preheated. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [McBride, Ryan D.; Slutz, Stephen A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP McBride, RD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin company, for the United States Department of Energy's National Nuclear Security Administration, under Contract No. DE-AC04-94AL85000. NR 87 TC 7 Z9 7 U1 0 U2 7 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 MAY PY 2015 VL 22 IS 5 AR 052708 DI 10.1063/1.4918953 PG 23 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300049 ER PT J AU Moser, AL Hsu, SC AF Moser, Auna L. Hsu, Scott C. TI Experimental characterization of a transition from collisionless to collisional interaction between head-on-merging supersonic plasma jets SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID COLLIDING PLASMAS; INTERPENETRATION; SHOCK; THERMALIZATION; SIMULATIONS AB We present results from experiments on the head-on merging of two supersonic plasma jets in an initially collisionless regime for the counter-streaming ions. The plasma jets are of either an argon/impurity or hydrogen/impurity mixture and are produced by pulsed-power-driven railguns. Based on time- and space-resolved fast-imaging, multi-chord interferometry, and survey-spectroscopy measurements of the overlapping region between the merging jets, we observe that the jets initially interpenetrate, consistent with calculated inter-jet ion collision lengths, which are long. As the jets interpenetrate, a rising mean-charge state causes a rapid decrease in the inter-jet ion collision length. Finally, the interaction becomes collisional and the jets stagnate, eventually producing structures consistent with collisional shocks. These experimental observations can aid in the validation of plasma collisionality and ionization models for plasmas with complex equations of state. (C) 2015 AIP Publishing LLC. C1 [Moser, Auna L.; Hsu, Scott C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Moser, AL (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM mosera@fusion.gat.com; scotthsu@lanl.gov OI Hsu, Scott/0000-0002-6737-4934 FU Laboratory Directed Research and Development (LDRD) Program of LANL under DOE [DE-AC52-06NA25396] FX We thank John Dunn, Colin Adams, and Elizabeth Merritt for technical assistance, and Colin Adams and Igor Golovkin for useful discussions. This work was sponsored by the Laboratory Directed Research and Development (LDRD) Program of LANL under DOE Contract No. DE-AC52-06NA25396. NR 42 TC 6 Z9 6 U1 2 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 MAY PY 2015 VL 22 IS 5 AR 055707 DI 10.1063/1.4920955 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300102 ER PT J AU Park, HS Huntington, CM Fiuza, F Drake, RP Froula, DH Gregori, G Koenig, M Kugland, NL Kuranz, CC Lamb, DQ Levy, MC Li, CK Meinecke, J Morita, T Petrasso, RD Pollock, BB Remington, BA Rinderknecht, HG Rosenberg, M Ross, JS Ryutov, DD Sakawa, Y Spitkovsky, A Takabe, H Turnbull, DP Tzeferacos, P Weber, SV Zylstra, AB AF Park, H. -S. Huntington, C. M. Fiuza, F. Drake, R. P. Froula, D. H. Gregori, G. Koenig, M. Kugland, N. L. Kuranz, C. C. Lamb, D. Q. Levy, M. C. Li, C. K. Meinecke, J. Morita, T. Petrasso, R. D. Pollock, B. B. Remington, B. A. Rinderknecht, H. G. Rosenberg, M. Ross, J. S. Ryutov, D. D. Sakawa, Y. Spitkovsky, A. Takabe, H. Turnbull, D. P. Tzeferacos, P. Weber, S. V. Zylstra, A. B. TI Collisionless shock experiments with lasers and observation of Weibel instabilities SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID MAGNETIC-FIELD GENERATION; ELECTRON-ION PLASMAS; FLOWS; WAVES AB Astrophysical collisionless shocks are common in the universe, occurring in supernova remnants, gamma ray bursts, and protostellar jets. They appear in colliding plasma flows when the mean free path for ion-ion collisions is much larger than the system size. It is believed that such shocks could be mediated via the electromagnetic Weibel instability in astrophysical environments without preexisting magnetic fields. Here, we present laboratory experiments using high-power lasers and investigate the dynamics of high-Mach-number collisionless shock formation in two interpenetrating plasma streams. Our recent proton-probe experiments on Omega show the characteristic filamentary structures of the Weibel instability that are electromagnetic in nature with an inferred magnetization level as high as similar to 1% [C. M. Huntington et al., "Observation of magnetic field generation via the weibel instability in interpenetrating plasma flows," Nat. Phys. 11, 173-176 (2015)]. These results imply that electromagnetic instabilities are significant in the interaction of astrophysical conditions. (c) 2015 AIP Publishing LLC. C1 [Park, H. -S.; Huntington, C. M.; Fiuza, F.; Levy, M. C.; Pollock, B. B.; Remington, B. A.; Ross, J. S.; Ryutov, D. D.; Turnbull, D. P.; Weber, S. V.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Drake, R. P.; Kuranz, C. C.] Univ Michigan, Ann Arbor, MI 48109 USA. [Froula, D. H.; Rosenberg, M.] Univ Rochester, Laser Energet Lab, Rochester, NY 14636 USA. [Gregori, G.; Meinecke, J.] Univ Oxford, Oxford OX1 3PU, England. [Koenig, M.] Ecole Polytech, LULI, Palaiseau, France. [Kugland, N. L.] Lam Res Corp, Fremont, CA 94538 USA. [Lamb, D. Q.; Tzeferacos, P.] Univ Chicago, Chicago, CA 94538 USA. [Li, C. K.; Petrasso, R. D.; Rinderknecht, H. G.; Zylstra, A. B.] MIT, Cambridge, MA 02139 USA. [Morita, T.; Sakawa, Y.; Takabe, H.] Osaka Univ, Inst Laser Engn, Suita, Osaka 5650871, Japan. [Spitkovsky, A.] Princeton Univ, Princeton, NJ 08544 USA. RP Park, HS (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM park1@llnl.gov RI Sakawa, Youichi/J-5707-2016; Drake, R Paul/I-9218-2012 OI Sakawa, Youichi/0000-0003-4165-1048; Drake, R Paul/0000-0002-5450-9844 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 43 TC 13 Z9 13 U1 6 U2 29 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 MAY PY 2015 VL 22 IS 5 AR 056311 DI 10.1063/1.4920959 PG 13 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300136 ER PT J AU Peterson, JL Casey, DT Hurricane, OA Raman, KS Robey, HF Smalyuk, VA AF Peterson, J. L. Casey, D. T. Hurricane, O. A. Raman, K. S. Robey, H. F. Smalyuk, V. A. TI Validating hydrodynamic growth in National Ignition Facility implosions SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID INERTIAL CONFINEMENT FUSION; RAYLEIGH-TAYLOR INSTABILITY; PERTURBATION; EVOLUTION; TARGETS AB We present new hydrodynamic growth experiments at the National Ignition Facility, which extend previous measurements up to Legendre mode 160 and convergence ratio 4, continuing the growth factor dispersion curve comparison of the low foot and high foot pulses reported by Casey et al. [Phys. Rev. E 90, 011102(R) (2014)]. We show that the high foot pulse has lower growth factor and lower growth rate than the low foot pulse. Using novel on-capsule fiducial markers, we observe that mode 160 inverts sign (changes phase) for the high foot pulse, evidence of amplitude oscillations during the Richtmyer-Meshkov phase of a spherically convergent system. Post-shot simulations are consistent with the experimental measurements for all but the shortest wavelength perturbations, reinforcing the validity of radiation hydrodynamic simulations of ablation front growth in inertial confinement fusion capsules. (c) 2015 AIP Publishing LLC. C1 [Peterson, J. L.; Casey, D. T.; Hurricane, O. A.; Raman, K. S.; Robey, H. F.; Smalyuk, V. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Peterson, JL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM peterson76@llnl.gov OI Peterson, Luc/0000-0002-5167-5708 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors wish to thank the entire NIF and WCI operations and design staff for supporting this work, as well as the LLNL and General Atomics target fabrication teams. In particular, we appreciate the help of D. Callahan, D. Clark, S. Haan, D. Hoover, B. Kauffman, J. Kilkenny, J. Kroll, O. Landen, N. Meezan, A. Nikroo, and B. Remington. 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 39 TC 10 Z9 10 U1 1 U2 9 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 MAY PY 2015 VL 22 IS 5 AR 056309 DI 10.1063/1.4920952 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300134 ER PT J AU Qin, H Chung, M Davidson, RC Burby, JW AF Qin, Hong Chung, Moses Davidson, Ronald C. Burby, Joshua W. TI Spectral and structural stability properties of charged particle dynamics in coupled lattices SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID TWISS PARAMETERS; SYSTEMS AB It has been realized in recent years that coupled focusing lattices in accelerators and storage rings have significant advantages over conventional uncoupled focusing lattices, especially for high-intensity charged particle beams. A theoretical framework and associated tools for analyzing the spectral and structural stability properties of coupled lattices are formulated in this paper, based on the recently developed generalized Courant-Snyder theory for coupled lattices. It is shown that for periodic coupled lattices that are spectrally and structurally stable, the matrix envelope equation must admit matched solutions. Using the technique of normal form and pre-Iwasawa decomposition, a new method is developed to replace the (inefficient) shooting method for finding matched solutions for the matrix envelope equation. Stability properties of a continuously rotating quadrupole lattice are investigated. The Krein collision process for destabilization of the lattice is demonstrated. (c) 2015 AIP Publishing LLC. C1 [Qin, Hong; Davidson, Ronald C.; Burby, Joshua W.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. [Qin, Hong] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. [Chung, Moses] Ulsan Natl Inst Sci & Technol, Dept Phys, Ulsan 689798, South Korea. RP Qin, H (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. FU U.S. Department of Energy [DE-AC02-09CH11466]; UNIST (Ulsan National Institute of Science and Technology) [1.140075.01] FX This research was supported by the U.S. Department of Energy (DE-AC02-09CH11466) and the 2014 Research Fund (1.140075.01) of UNIST (Ulsan National Institute of Science and Technology). We thank Professor Phil Morrison for interesting discussions of the Krein collision. NR 50 TC 1 Z9 1 U1 5 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 MAY PY 2015 VL 22 IS 5 AR 056702 DI 10.1063/1.4920961 PG 7 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300147 ER PT J AU Schmitt, JC Bell, RE Boyle, DP Esposti, B Kaita, R Kozub, T LeBlanc, BP Lucia, M Maingi, R Majeski, R Merino, E Punjabi-Vinoth, S Tchilingurian, G Capece, A Koel, B Roszell, J Biewer, TM Gray, TK Kubota, S Beiersdorfer, P Widmann, K Tritz, K AF Schmitt, J. C. Bell, R. E. Boyle, D. P. Esposti, B. Kaita, R. Kozub, T. LeBlanc, B. P. Lucia, M. Maingi, R. Majeski, R. Merino, E. Punjabi-Vinoth, S. Tchilingurian, G. Capece, A. Koel, B. Roszell, J. Biewer, T. M. Gray, T. K. Kubota, S. Beiersdorfer, P. Widmann, K. Tritz, K. TI High performance discharges in the Lithium Tokamak eXperiment with liquid lithium walls SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID ENERGY CONFINEMENT; TRANSPORT; LIMITER; EDGE AB The first-ever successful operation of a tokamak with a large area (40% of the total plasma surface area) liquid lithium wall has been achieved in the Lithium Tokamak eXperiment (LTX). These results were obtained with a new, electron beam-based lithium evaporation system, which can deposit a lithium coating on the limiting wall of LTX in a five-minute period. Preliminary analyses of diamagnetic and other data for discharges operated with a liquid lithium wall indicate that confinement times increased by 10 x compared to discharges with helium-dispersed solid lithium coatings. Ohmic energy confinement times with fresh lithium walls, solid and liquid, exceed several relevant empirical scaling expressions. Spectroscopic analysis of the discharges indicates that oxygen levels in the discharges limited on liquid lithium walls were significantly reduced compared to discharges limited on solid lithium walls. Tokamak operations with a full liquid lithium wall (85% of the total plasma surface area) have recently started. (C) 2015 AIP Publishing LLC. C1 [Schmitt, J. C.; Bell, R. E.; Boyle, D. P.; Esposti, B.; Kaita, R.; Kozub, T.; LeBlanc, B. P.; Lucia, M.; Maingi, R.; Majeski, R.; Merino, E.; Punjabi-Vinoth, S.; Tchilingurian, G.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Capece, A.; Koel, B.; Roszell, J.] Princeton Univ, Princeton, NJ 08544 USA. [Biewer, T. M.; Gray, T. K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Kubota, S.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Beiersdorfer, P.; Widmann, K.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Tritz, K.] Johns Hopkins Univ, Baltimore, MD 21218 USA. RP Schmitt, JC (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. OI Boyle, Dennis/0000-0001-8091-8169 FU U.S. DOE [DE-AC02-09CH11466, DE-AC05-00OR22725] FX This work was supported by U.S. DOE Contract Nos. DE-AC02-09CH11466 and DE-AC05-00OR22725. NR 32 TC 4 Z9 4 U1 2 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 MAY PY 2015 VL 22 IS 5 AR 056112 DI 10.1063/1.4921153 PG 8 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300119 ER PT J AU Sechrest, Y Smith, D Stotler, DP Munsat, T Zweben, SJ AF Sechrest, Y. Smith, D. Stotler, D. P. Munsat, T. Zweben, S. J. TI Comparison of beam emission spectroscopy and gas puff imaging edge fluctuation measurements in National Spherical Torus Experiment SO PHYSICS OF PLASMAS LA English DT Article ID ALCATOR C-MOD; NEUTRAL TRANSPORT SIMULATIONS; HIGH CONFINEMENT MODE; DIII-D TOKAMAK; FUSION PLASMAS; OFF-LAYER; TURBULENCE; NSTX; BOUNDARY; FIELDS AB In this study, the close physical proximity of the Gas Puff Imaging (GPI) and Beam Emission Spectroscopy (BES) diagnostics on the National Spherical torus Experiment (NSTX) is leveraged to directly compare fluctuation measurements, and to study the local effects of the GPI neutral deuterium puff during H-mode plasmas without large Edge Localized Modes. The GPI and BES views on NSTX provide partially overlapping coverage of the edge and scrape-off layer (SOL) regions above the outboard midplane. The separation in the toroidal direction is 16 degrees, and field lines passing through diagnostic views are separated by similar to 20 cm in the direction perpendicular to the magnetic field. Strong cross-correlation is observed, and strong cross-coherence is seen for frequencies between 5 and 15 kHz. Also, probability distribution functions of fluctuations measured similar to 3 cm inside the separatrix exhibit only minor deviations from a normal distribution for both diagnostics, and good agreement between correlation length estimates, decorrelation times, and structure velocities is found at the 640% level. While the two instruments agree closely in many respects, some discrepancies are observed. Most notably, GPI normalized fluctuation levels exceed BES fluctuations by a factor of similar to 9. BES mean intensity is found to be sensitive to the GPI neutral gas puff, and BES normalized fluctuation levels for frequencies between 1 and 10 kHz are observed to increase during the GPI puff. (C) 2015 AIP Publishing LLC. C1 [Sechrest, Y.; Munsat, T.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Smith, D.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Stotler, D. P.; Zweben, S. J.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. RP Sechrest, Y (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA. FU Department of Energy [DE-FG02-09ER54995, DE-SC0001966, DE-AC02-09CH11466] FX The authors would like to acknowledge the NSTX Team, Rajesh Maingi for gas puffing during experiments, Ben LeBlanc for providing Thomson scattering data, and Ricky Maqueda. This work was supported by Department of Energy Grant Nos. DE-FG02-09ER54995, DE-SC0001966, and DE-AC02-09CH11466. NR 58 TC 1 Z9 1 U1 2 U2 8 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 MAY PY 2015 VL 22 IS 5 AR 052310 DI 10.1063/1.4921215 PG 14 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300037 ER PT J AU Spears, BK Munro, DH Sepke, S Caggiano, J Clark, D Hatarik, R Kritcher, A Sayre, D Yeamans, C Knauer, J Hilsabeck, T Kilkenny, J AF Spears, Brian K. Munro, David H. Sepke, Scott Caggiano, Joseph Clark, Daniel Hatarik, Robert Kritcher, Andrea Sayre, Daniel Yeamans, Charles Knauer, James Hilsabeck, Terry Kilkenny, Joe TI Three-dimensional simulations of National Ignition Facility implosions: Insight into experimental observables SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID SPECTRA AB We simulate in 3D both the hydrodynamics and, simultaneously, the X-ray and neutron diagnostic signatures of National Ignition Facility (NIF) implosions. We apply asymmetric radiation drive to study the impact of low mode asymmetry on diagnostic observables. We examine X-ray and neutron images as well as neutron spectra for these perturbed implosions. The X-ray images show hot spot evolution on small length scales and short time scales, reflecting the incomplete stagnation seen in the simulation. The neutron images show surprising differences from the X-ray images. The neutron spectra provide additional measures of implosion asymmetry. Flow in the hot spot alters the neutron spectral peak, namely, the peak location and width. The changes in the width lead to a variation in the apparent temperature with viewing angle that signals underlying hot spot asymmetry. We compare our new expectations based on the simulated data with NIF data. We find that some recent cryogenic layered experiments show appreciable temperature anisotropy indicating residual flow in the hot spot. We also find some trends in the data that do not reflect our simulation and theoretical understanding. (c) 2015 AIP Publishing LLC. C1 [Spears, Brian K.; Munro, David H.; Sepke, Scott; Caggiano, Joseph; Clark, Daniel; Hatarik, Robert; Kritcher, Andrea; Sayre, Daniel; Yeamans, Charles] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Knauer, James] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Hilsabeck, Terry; Kilkenny, Joe] Gen Atom Co, San Diego, CA 92186 USA. RP Spears, BK (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM spears9@llnl.gov FU LLNL [DE-AC52-07NA27344] FX Prepared by LLNL under Contract No. DE-AC52-07NA27344. NR 27 TC 10 Z9 10 U1 1 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2015 VL 22 IS 5 AR 056317 DI 10.1063/1.4920957 PG 11 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300142 ER PT J AU Spong, DA AF Spong, Donald A. TI 3D toroidal physics: Testing the boundaries of symmetry breaking SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID IDEAL MAGNETOHYDRODYNAMIC STABILITY; MAGNETIC CONFINEMENT SYSTEMS; RESONANT-PLATEAU TRANSPORT; ALPHA-PARTICLE CONFINEMENT; SCRAPE-OFF LAYER; NEOCLASSICAL TRANSPORT; ALFVEN EIGENMODES; BOOTSTRAP CURRENT; ADVANCED STELLARATOR; HOMOCLINIC TANGLES AB Toroidal symmetry is an important concept for plasma confinement; it allows the existence of nested flux surface MHD equilibria and conserved invariants for particle motion. However, perfect symmetry is unachievable in realistic toroidal plasma devices. For example, tokamaks have toroidal ripple due to discrete field coils, optimized stellarators do not achieve exact quasi-symmetry, the plasma itself continually seeks lower energy states through helical 3D deformations, and reactors will likely have non-uniform distributions of ferritic steel near the plasma. Also, some level of designed-in 3D magnetic field structure is now anticipated for most concepts in order to provide the plasma control needed for a stable, steady-state fusion reactor. Such planned 3D field structures can take many forms, ranging from tokamaks with weak 3D edge localized mode suppression fields to stellarators with more dominant 3D field structures. This motivates the development of physics models that are applicable across the full range of 3D devices. Ultimately, the questions of how much symmetry breaking can be tolerated and how to optimize its design must be addressed for all fusion concepts. A closely coupled program of simulation, experimental validation, and design optimization is required to determine what forms and amplitudes of 3D shaping and symmetry breaking will be compatible with the requirements of future fusion reactors. (C) 2015 AIP Publishing LLC. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Spong, DA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM spongda@ornl.gov FU U.S. Department of Energy, Office of Science [DE-AC05-00OR22725]; UT-Battelle, LLC [DE-AC05-00OR22725]; U.S. DOE SciDAC GSEP Center; Department of Energy FX This material based on work was supported both by the U.S. Department of Energy, Office of Science, under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC and under the U.S. DOE SciDAC GSEP Center. This tutorial has benefitted from discussions with many colleagues, including: Jeffrey Harris, Andreas Wingen, Alessandro Bortolon, Steve Hirshman, Diego del-Castillo-Negrete, Jeremy Lore, John Canik, Yasushi Todo, Axel Konies, Lee Berry, John Koliner, John Sarff, Harold Weitzner, Allen Boozer, Allan Reiman, Nate Ferraro, Gerrit Kramer, Harry Mynick, Pavlos Xanthopoulos, Matt Landremann, Per Helander, Anthony Cooper, Kazuo Toi, Sam Lazerson, Mike Zarnstorff, and Kouji Shinohara.; 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 189 TC 5 Z9 5 U1 1 U2 10 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 MAY PY 2015 VL 22 IS 5 AR 055602 DI 10.1063/1.4921255 PG 24 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300095 ER PT J AU Terry, JL Reinke, ML Hughes, JW LaBombard, B Theiler, C Wallace, GM Baek, SG Brunner, D Churchill, RM Edlund, E Ennever, P Faust, I Golfinopoulos, T Greenwald, M Hubbard, AE Irby, J Lin, Y Parker, RR Rice, JE Shiraiwa, S Walk, JR Wukitch, SJ Xu, P AF Terry, J. L. Reinke, M. L. Hughes, J. W. LaBombard, B. Theiler, C. Wallace, G. M. Baek, S. G. Brunner, D. Churchill, R. M. Edlund, E. Ennever, P. Faust, I. Golfinopoulos, T. Greenwald, M. Hubbard, A. E. Irby, J. Lin, Y. Parker, R. R. Rice, J. E. Shiraiwa, S. Walk, J. R. Wukitch, S. J. Xu, P. CA C-Mod Team TI Improved confinement in high-density H-modes via modification of the plasma boundary with lower hybrid waves SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID ALCATOR C-MOD; CURRENT DRIVE; TORE-SUPRA; TRANSPORT; PEDESTAL; PROFILE AB Injecting Lower Hybrid Range of Frequency (LHRF) waves into Alcator C-Mod's high-density H-mode plasmas has led to enhanced global energy confinement by increasing pedestal temperature and pressure gradients, decreasing the separatrix density, modifying the pedestal radial electric field and rotation, and decreasing edge turbulence. These experiments indicate that edge LHRF can be used as an actuator to increase energy confinement via modification of boundary quantities. H-98-factor increases of up to similar to 35% (e.g., H-98 from 0.75 to 1.0) are seen when moderate amounts of LH power (P-LH/P-tot similar to 0.15) are applied to H-modes of densities (n) over tilde (e) similar to 3 x 10(20) m(-3), corresponding to values similar to 0.5 of the Greenwald density. However, the magnitude of the improvement is reduced if the confinement quality of the target H-mode plasma is already good (i.e., H-98(target) similar to 1). Ray-tracing modeling and accessibility calculations for the LH waves indicate that they do not penetrate to the core. The LHRF power appears to be deposited in plasma boundary region, with a large fraction of the injected power increment appearing promptly on the outer divertor target. There is no evidence that the LH waves are driving current in these plasmas. The LHRF-actuated improvements are well correlated with suppressed pedestal density fluctuations in the 100-300 kHz range. There is also a correlation between the improved confinement and a drop in separatrix density, a correlation that is consistent with previous H-mode results with no LHRF. (c) 2015 AIP Publishing LLC. C1 [Terry, J. L.; Reinke, M. L.; Hughes, J. W.; LaBombard, B.; Theiler, C.; Wallace, G. M.; Baek, S. G.; Brunner, D.; Churchill, R. M.; Edlund, E.; Ennever, P.; Faust, I.; Golfinopoulos, T.; Greenwald, M.; Hubbard, A. E.; Irby, J.; Lin, Y.; Parker, R. R.; Rice, J. E.; Shiraiwa, S.; Walk, J. R.; Wukitch, S. J.; Xu, P.; C-Mod Team] 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. [Theiler, C.] Ecole Polytech Fed Lausanne, CRPP, CH-1015 Lausanne, Switzerland. [Churchill, R. M.; Edlund, E.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Terry, JL (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM terry@psfc.mit.ed RI EPFL, Physics/O-6514-2016; OI Theiler, Christian/0000-0003-3926-1374; Churchill, Randy/0000-0001-5711-746X FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-FC02-99ER54512, DE-AC02-09CH11466] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences, under Award Nos. DE-FC02-99ER54512 and DE-AC02-09CH11466 and in part by an appointment to the US DOE Fusion Energy Postdoctoral Research Program administered by ORISE. NR 37 TC 2 Z9 2 U1 4 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 MAY PY 2015 VL 22 IS 5 AR 056114 DI 10.1063/1.4920964 PG 11 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300121 ER PT J AU Tommasini, R Field, JE Hammel, BA Landen, OL Haan, SW Aracne-Ruddle, C Benedetti, LR Bradley, DK Callahan, DA Dewald, EL Doeppner, T Edwards, MJ Hurricane, OA Izumi, N Jones, OA Ma, T Meezan, NB Nagel, SR Rygg, JR Segraves, KS Stadermann, M Strauser, RJ Town, RPJ AF Tommasini, R. Field, J. E. Hammel, B. A. Landen, O. L. Haan, S. W. Aracne-Ruddle, C. Benedetti, L. R. Bradley, D. K. Callahan, D. A. Dewald, E. L. Doeppner, T. Edwards, M. J. Hurricane, O. A. Izumi, N. Jones, O. A. Ma, T. Meezan, N. B. Nagel, S. R. Rygg, J. R. Segraves, K. S. Stadermann, M. Strauser, R. J. Town, R. P. J. TI Tent-induced perturbations on areal density of implosions at the National Ignition Facility SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID INERTIAL CONFINEMENT FUSION; INSTABILITY; GROWTH; GAIN AB Areal density non-uniformities seeded by time-dependent drive variations and target imperfections in Inertial Confinement Fusion (ICF) targets can grow in time as the capsule implodes, with growth rates that are amplified by instabilities. Here, we report on the first measurements of the perturbations on the density and areal density profiles induced by the membranes used to hold the capsule within the hohlraum in indirect drive ICF targets. The measurements are based on the reconstruction of the ablator density profiles from 2D radiographs obtained using pinhole imaging coupled to area backlighting, as close as 150 ps to peak compression. Our study shows a clear correlation between the modulations imposed on the areal density and measured neutron yield, and a 3x reduction in the areal density perturbations comparing a high-adiabat vs. low-adiabat pulse shape. (c) 2015 AIP Publishing LLC. C1 [Tommasini, R.; Field, J. E.; Hammel, B. A.; Landen, O. L.; Haan, S. W.; Aracne-Ruddle, C.; Benedetti, L. R.; Bradley, D. K.; Callahan, D. A.; Dewald, E. L.; Doeppner, T.; Edwards, M. J.; Hurricane, O. A.; Izumi, N.; Jones, O. A.; Ma, T.; Meezan, N. B.; Nagel, S. R.; Rygg, J. R.; Segraves, K. S.; Stadermann, M.; Strauser, R. J.; Town, R. P. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Segraves, K. S.] Schafer Corp, Livermore, CA 94551 USA. [Strauser, R. J.] Gen Atom Co, San Diego, CA 92186 USA. RP Tommasini, R (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM tommasini2@llnl.gov RI IZUMI, Nobuhiko/J-8487-2016; Tommasini, Riccardo/A-8214-2009 OI 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 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 25 TC 20 Z9 20 U1 4 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2015 VL 22 IS 5 AR 056315 DI 10.1063/1.4921218 PG 7 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300140 ER PT J AU Turco, F Petty, CC Luce, TC Carlstrom, TN Van Zeeland, MA Heidbrink, W Carpanese, F Solomon, W Holcomb, CT Ferron, JR AF Turco, F. Petty, C. C. Luce, T. C. Carlstrom, T. N. Van Zeeland, M. A. Heidbrink, W. Carpanese, F. Solomon, W. Holcomb, C. T. Ferron, J. R. TI The high-beta(N) hybrid scenario for ITER and FNSF steady-state missions SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID PHYSICS BASIS; DIII-D; TOKAMAK; DISCHARGES; BETA AB New experiments on DIII-D have demonstrated the steady-state potential of the hybrid scenario, with 1 MA of plasma current driven fully non-inductively and beta(N) up to 3.7 sustained for similar to 3 s (similar to 1.5 current diffusion time, tau(R), in DIII-D), providing the basis for an attractive option for steady-state operation in ITER and FNSF. Excellent confinement is achieved (H-98y2 similar to 1.6) without performance limiting tearing modes. The hybrid regime overcomes the need for off-axis current drive efficiency, taking advantage of poloidal magnetic flux pumping that is believed to be the result of a saturated 3/2 tearing mode. This allows for efficient current drive close to the axis, without deleterious sawtooth instabilities. In these experiments, the edge surface loop voltage is driven down to zero for > 1 tau(R) when the poloidal beta is increased above 1.9 at a plasma current of 1.0 MA and the ECH power is increased to 3.2MW. Stationary operation of hybrid plasmas with all on-axis current drive is sustained at pressures slightly above the ideal no-wall limit, while the calculated ideal with-wall MHD limit is beta(N) similar to 4-4.5. Off-axis Neutral Beam Injection (NBI) power has been used to broaden the pressure and current profiles in this scenario, seeking to take advantage of higher predicted kink stability limits and lower values of the tearing stability index Delta', as calculated by the DCON and PEST3 codes. Results based on measured profiles predict ideal limits at beta(N)> 4.5, 10% higher than the cases with on-axis NBI. A 0-D model, based on the present confinement, beta(N) and shape values of the DIII-D hybrid scenario, shows that these plasmas are consistent with the ITER 9 MA, Q = 5 mission and the FNSF 6.7 MA scenario with Q = 3.5. With collisionality and edge safety factor values comparable to those envisioned for ITER and FNSF, the high-beta(N) hybrid represents an attractive high performance option for the steady-state missions of these devices. (C) 2015 AIP Publishing LLC. C1 [Turco, F.] Columbia Univ, New York, NY 10027 USA. [Petty, C. C.; Luce, T. C.; Carlstrom, T. N.; Van Zeeland, M. A.; Ferron, J. R.] Gen Atom Co, San Diego, CA 92186 USA. [Heidbrink, W.] Univ Calif Irvine, Irvine, CA 92697 USA. [Carpanese, F.] Politecn Milan, Dipartimento Energia, I-20133 Milan, Italy. [Solomon, W.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Holcomb, C. T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Turco, F (reprint author), Columbia Univ, New York, NY 10027 USA. FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-FG02-04ER54761, DE-FC02-04ER54698, DE-AC52-07NA27344, SC-G903402, DE-AC02-09CH11466] FX This material is based upon work supported 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 Award Nos. DE-FG02-04ER54761, DE-FC02-04ER54698, DE-AC52-07NA27344, SC-G903402, and DE-AC02-09CH11466. 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. NR 19 TC 6 Z9 6 U1 1 U2 10 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 MAY PY 2015 VL 22 IS 5 AR 056113 DI 10.1063/1.4921161 PG 12 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300120 ER PT J AU White, AE Howard, NT Creely, AJ Chilenski, MA Greenwald, M Hubbard, AE Hughes, JW Marmar, E Rice, JE Sierchio, JM Sung, C Walk, JR Whyte, DG Mikkelsen, DR Edlund, EM Kung, C Holland, C Candy, J Petty, CC Reinke, ML Theiler, C AF White, A. E. Howard, N. T. Creely, A. J. Chilenski, M. A. Greenwald, M. Hubbard, A. E. Hughes, J. W. Marmar, E. Rice, J. E. Sierchio, J. M. Sung, C. Walk, J. R. Whyte, D. G. Mikkelsen, D. R. Edlund, E. M. Kung, C. Holland, C. Candy, J. Petty, C. C. Reinke, M. L. Theiler, C. TI Nonlinear gyrokinetic simulations of the I-mode high confinement regime and comparisons with experiment SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID ALCATOR C-MOD; HEAT-TRANSPORT; TEMPERATURE; TOKAMAK; PLASMAS AB For the first time, nonlinear gyrokinetic simulations of I-mode plasmas are performed and compared with experiment. I-mode is a high confinement regime, featuring energy confinement similar to H-mode, but without enhanced particle and impurity particle confinement [D. G. Whyte et al., Nucl. Fusion 50, 105005 (2010)]. As a consequence of the separation between heat and particle transport, I-mode exhibits several favorable characteristics compared to H-mode. The nonlinear gyrokinetic code GYRO [J. Candy and R. E. Waltz, J Comput. Phys. 186, 545 (2003)] is used to explore the effects of E x B shear and profile stiffness in I-mode and compare with L-mode. The nonlinear GYRO simulations show that I-mode core ion temperature and electron temperature profiles are more stiff than L-mode core plasmas. Scans of the input E x B shear in GYRO simulations show that E x B shearing of turbulence is a stronger effect in the core of I-mode than L-mode. The nonlinear simulations match the observed reductions in long wavelength density fluctuation levels across the L-I transition but underestimate the reduction of long wavelength electron temperature fluctuation levels. The comparisons between experiment and gyrokinetic simulations for I-mode suggest that increased E x B shearing of turbulence combined with increased profile stiffness are responsible for the reductions in core turbulence observed in the experiment, and that I-mode resembles H-mode plasmas more than L-mode plasmas with regards to marginal stability and temperature profile stiffness. (C) 2015 AIP Publishing LLC. C1 [White, A. E.; Howard, N. T.; Creely, A. J.; Chilenski, M. A.; Greenwald, M.; Hubbard, A. E.; Hughes, J. W.; Marmar, E.; Rice, J. E.; Sierchio, J. M.; Sung, C.; Walk, J. R.; Whyte, D. G.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Mikkelsen, D. R.; Edlund, E. M.; Kung, C.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. [Holland, C.] Univ Calif San Diego, San Diego, CA 92093 USA. [Candy, J.; Petty, C. C.] Gen Atom Co, San Diego, CA 92186 USA. [Reinke, M. L.] Univ York, York YO10 5DD, N Yorkshire, England. [Theiler, C.] Ecole Polytech Fed Lausanne, Ctr Rech Phys Plasmas, CH-1015 Lausanne, Switzerland. RP White, AE (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM whitea@mit.edu RI EPFL, Physics/O-6514-2016; OI Theiler, Christian/0000-0003-3926-1374; Chilenski, Mark/0000-0002-3616-8484; Greenwald, Martin/0000-0002-4438-729X FU DOE [DE-FC02-99ER54512-CMOD]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We wish to acknowledge the outstanding expertise and support of the Alcator C-Mod team of scientists, engineers, and technicians at MIT, without whom these experiments would not have been possible. Experimental data sets were collected at the Alcator C-Mod tokamak, a DOE Office of Science user facility, supported by DOE Contract No. DE-FC02-99ER54512-CMOD. The nonlinear gyrokinetic calculations with the GYRO code were performed using 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 48 TC 6 Z9 6 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD MAY PY 2015 VL 22 IS 5 AR 056109 DI 10.1063/1.4921150 PG 12 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300116 ER PT J AU Yamada, M Yoo, J Jara-Almonte, J Daughton, W Ji, HT Kulsrud, RM Myers, CE AF Yamada, Masaaki Yoo, Jongsoo Jara-Almonte, Jonathan Daughton, William Ji, Hantao Kulsrud, Russell M. Myers, Clayton E. TI Study of energy conversion and partitioning in the magnetic reconnection layer of a laboratory plasma SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID REVERSED-FIELD PINCH; EARTHS MAGNETOPAUSE; REGION; ACCELERATION; FLUCTUATIONS; SIMULATIONS; CHALLENGE; CODE AB While the most important feature of magnetic reconnection is that it energizes plasma particles by converting magnetic energy to particle energy, the exact mechanisms by which this happens are yet to be determined despite a long history of reconnection research. Recently, we have reported our results on the energy conversion and partitioning in a laboratory reconnection layer in a short communication [Yamada et al., Nat. Commun. 5, 4474 (2014)]. The present paper is a detailed elaboration of this report together with an additional dataset with different boundary sizes. Our experimental study of the reconnection layer is carried out in the two-fluid physics regime where ions and electrons move quite differently. We have observed that the conversion of magnetic energy occurs across a region significantly larger than the narrow electron diffusion region. A saddle shaped electrostatic potential profile exists in the reconnection plane, and ions are accelerated by the resulting electric field at the separatrices. These accelerated ions are then thermalized by re-magnetization in the downstream region. A quantitative inventory of the converted energy is presented in a reconnection layer with a well-defined, variable boundary. We have also carried out a systematic study of the effects of boundary conditions on the energy inventory. This study concludes that about 50% of the inflowing magnetic energy is converted to particle energy, 2/3 of which is ultimately transferred to ions and 1/3 to electrons. Assisted by another set of magnetic reconnection experiment data and numerical simulations with different sizes of monitoring box, it is also observed that the observed features of energy conversion and partitioning do not depend on the size of monitoring boundary across the range of sizes tested from 1.5 to 4 ion skin depths. (c) 2015 AIP Publishing LLC. C1 [Yamada, Masaaki; Yoo, Jongsoo; Jara-Almonte, Jonathan; Ji, Hantao; Kulsrud, Russell M.; Myers, Clayton E.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Daughton, William] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Yamada, M (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI Daughton, William/L-9661-2013; OI Yoo, Jongsoo/0000-0003-3881-1995; Myers, Clayton/0000-0003-4539-8406 FU DOE [DE-AC0209CH11466]; NASA [NNH11AQ45I]; NASA's Heliophysics Theory Program FX We thank Dr. S. Zweben for valuable physics discussions and Mr. R. Cutler for technical supports. This work was supported by DOE Contract No. DE-AC0209CH11466 and NASA program for the MMS mission under Grant No. NNH11AQ45I. Contributions from W. Daughton were supported by NASA's Heliophysics Theory Program, and simulations were performed with resources from the LANL Institutional Computing Program. NR 55 TC 9 Z9 9 U1 3 U2 12 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 MAY PY 2015 VL 22 IS 5 AR 056501 DI 10.1063/1.4920960 PG 11 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300145 ER PT J AU Zylstra, AB Frenje, JA Seguin, FH Rygg, JR Kritcher, A Rosenberg, MJ Rinderknecht, HG Hicks, DG Friedrich, S Bionta, R Meezan, NB Olson, R Atherton, J Barrios, M Bell, P Benedetti, R Hopkins, LB Betti, R Bradley, D Callahan, D Casey, D Collins, G Dewald, EL Dixit, S Doppner, T Edwards, MJ Johnson, MG Glenn, S Grim, G Hatchett, S Jones, O Khan, S Kilkenny, J Kline, J Knauer, J Kyrala, G Landen, O LePape, S Li, CK Lindl, J Ma, T Mackinnon, A Manuel, MJE Meyerhofer, D Moses, E Nagel, SR Nikroo, A Parham, T Pak, A Petrasso, RD Prasad, R Ralph, J Robey, HF Ross, JS Sangster, TC Sepke, S Sinenian, N Sio, HW Spears, B Tommasini, R Town, R Weber, S Wilson, D Yeamans, C Zacharias, R AF Zylstra, A. B. Frenje, J. A. Seguin, F. H. Rygg, J. R. Kritcher, A. Rosenberg, M. J. Rinderknecht, H. G. Hicks, D. G. Friedrich, S. Bionta, R. Meezan, N. B. Olson, R. Atherton, J. Barrios, M. Bell, P. Benedetti, R. Hopkins, L. Berzak Betti, R. Bradley, D. Callahan, D. Casey, D. Collins, G. Dewald, E. L. Dixit, S. Doeppner, T. Edwards, M. J. Johnson, M. Gatu Glenn, S. Grim, G. Hatchett, S. Jones, O. Khan, S. Kilkenny, J. Kline, J. Knauer, J. Kyrala, G. Landen, O. LePape, S. Li, C. K. Lindl, J. Ma, T. Mackinnon, A. Manuel, M. J. -E. Meyerhofer, D. Moses, E. Nagel, S. R. Nikroo, A. Parham, T. Pak, A. Petrasso, R. D. Prasad, R. Ralph, J. Robey, H. F. Ross, J. S. Sangster, T. C. Sepke, S. Sinenian, N. Sio, H. W. Spears, B. Tommasini, R. Town, R. Weber, S. Wilson, D. Yeamans, C. Zacharias, R. TI In-flight observations of low-mode rho R asymmetries in NIF implosions SO PHYSICS OF PLASMAS LA English DT Article; Proceedings Paper CT 56th Annual Meeting of the APS Division of Plasma Physics CY OCT 27-31, 2014 CL New Orleans, LA ID NATIONAL-IGNITION-FACILITY; INERTIAL-CONFINEMENT-FUSION; TARGETS; PLASMAS; DESIGN; OMEGA AB Charged-particle spectroscopy is used to assess implosion symmetry in ignition-scale indirect-drive implosions for the first time. Surrogate (DHe)-He-3 gas-filled implosions at the National Ignition Facility produce energetic protons via D+He-3 fusion that are used to measure the implosion areal density (rho R) at the shock-bang time. By using protons produced several hundred ps before the main compression bang, the implosion is diagnosed in-flight at a convergence ratio of 3-5 just prior to peak velocity. This isolates acceleration-phase asymmetry growth. For many surrogate implosions, proton spectrometers placed at the north pole and equator reveal significant asymmetries with amplitudes routinely greater than or similar to 10%, which are interpreted as l = 2 Legendre modes. With significant expected growth by stagnation, it is likely that these asymmetries would degrade the final implosion performance. X-ray self-emission images at stagnation show asymmetries that are positively correlated with the observed in-flight asymmetries and comparable in magnitude, contradicting growth models; this suggests that the hot-spot shape does not reflect the stagnated shell shape or that significant residual kinetic energy exists at stagnation. More prolate implosions are observed when the laser drive is sustained ("no-coast"), implying a significant time-dependent asymmetry in peak drive. (c) 2015 AIP Publishing LLC. C1 [Zylstra, A. B.; Frenje, J. A.; Seguin, F. H.; Rosenberg, M. J.; Rinderknecht, H. G.; Johnson, M. Gatu; Li, C. K.; Manuel, M. J. -E.; Petrasso, R. D.; Sinenian, N.; Sio, H. W.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Rygg, J. R.; Kritcher, A.; Hicks, D. G.; Friedrich, S.; Bionta, R.; Meezan, N. B.; Atherton, J.; Barrios, M.; Bell, P.; Benedetti, R.; Hopkins, L. Berzak; Bradley, D.; Callahan, D.; Casey, D.; Collins, G.; Dewald, E. L.; Dixit, S.; Doeppner, T.; Edwards, M. J.; Glenn, S.; Hatchett, S.; Jones, O.; Khan, S.; Landen, O.; LePape, S.; Lindl, J.; Ma, T.; Mackinnon, A.; Moses, E.; Nagel, S. R.; Parham, T.; Pak, A.; Prasad, R.; Ralph, J.; Robey, H. F.; Ross, J. S.; Sepke, S.; Spears, B.; Tommasini, R.; Town, R.; Weber, S.; Yeamans, C.; Zacharias, R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Olson, R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Olson, R.; Grim, G.; Kline, J.; Kyrala, G.; Wilson, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Betti, R.; Knauer, J.; Meyerhofer, D.; Sangster, T. C.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Kilkenny, J.; Nikroo, A.] Gen Atom Co, San Diego, CA 92186 USA. RP Zylstra, AB (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM zylstra@mit.edu RI lepape, sebastien/J-3010-2015; MacKinnon, Andrew/P-7239-2014; Manuel, Mario/L-3213-2015; Hicks, Damien/B-5042-2015; Tommasini, Riccardo/A-8214-2009; OI MacKinnon, Andrew/0000-0002-4380-2906; Manuel, Mario/0000-0002-5834-1161; Hicks, Damien/0000-0001-8322-9983; Tommasini, Riccardo/0000-0002-1070-3565; Kline, John/0000-0002-2271-9919 FU U.S. DoE [DE-NA0001857, DE-FC52-08NA28752]; LLNL [B597367]; LLE [415935-G]; Fusion Science Center at the University of Rochester [524431]; National Laser Users Facility [DE-NA0002035]; National Science Foundation [1122374] FX This work is part of the first author's Ph.D. thesis and was supported in part by the U.S. DoE (Grant No. DE-NA0001857, DE-FC52-08NA28752), LLNL (No. B597367), LLE (No. 415935-G), the Fusion Science Center at the University of Rochester (No. 524431), and the National Laser Users Facility (No. DE-NA0002035). This material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. 1122374. NR 54 TC 6 Z9 6 U1 2 U2 19 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 MAY PY 2015 VL 22 IS 5 AR 056301 DI 10.1063/1.4918355 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CJ9AI UT WOS:000355794300126 ER PT J AU Hua, ZL Ban, H Hurley, DH AF Hua, Zilong Ban, Heng Hurley, David H. TI The study of frequency-scan photothermal reflectance technique for thermal diffusivity measurement SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID OPTICAL REFLECTANCE; THERMOREFLECTANCE; PROPAGATION; MICROSCOPY; EFFUSIVITY; INTERFACE; WAVES; FILMS AB A frequency scan photothermal reflectance technique to measure thermal diffusivity of bulk samples is studied in this manuscript. Similar to general photothermal reflectance methods, an intensity-modulated heating laser and a constant intensity probe laser are used to determine the surface temperature response under sinusoidal heating. The approach involves fixing the distance between the heating and probe laser spots, recording the phase lag of reflected probe laser intensity with respect to the heating laser frequency modulation, and extracting thermal diffusivity using the phase lag-(frequency) 1/2 relation. The experimental validation is performed on three samples (SiO2, CaF2, and Ge), which have a wide range of thermal diffusivities. The measured thermal diffusivity values agree closely with the literature values. Compared to the commonly used spatial scan method, the experimental setup and operation of the frequency scan method are simplified, and the uncertainty level is equal to or smaller than that of the spatial scan method. (C) 2015 AIP Publishing LLC. C1 [Hua, Zilong; Ban, Heng] Utah State Univ, Mech & Aerosp Engn Dept, Logan, UT 84322 USA. [Hurley, David H.] Idaho Natl Lab, Mat Sci & Engn Dept, Idaho Falls, ID 83415 USA. RP Hua, ZL (reprint author), Utah State Univ, Mech & Aerosp Engn Dept, Logan, UT 84322 USA. EM heng.ban@usu.edu NR 21 TC 1 Z9 1 U1 4 U2 24 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 MAY PY 2015 VL 86 IS 5 AR 054901 DI 10.1063/1.4919609 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CK0VQ UT WOS:000355923700039 PM 26026545 ER PT J AU Kelley, MA Jakulewicz, MS Dreyer, CB Parker, TE Porter, JM AF Kelley, Madison A. Jakulewicz, Micah S. Dreyer, Christopher B. Parker, Terence E. Porter, Jason M. TI System overview and characterization of a high-temperature, high-pressure, entrained-flow, laboratory-scale gasifier SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID DROP-TUBE FURNACE; WAVELENGTH-MODULATION SPECTROSCOPY; COAL-GASIFICATION; GAS TEMPERATURE; PULVERIZED COAL; REACTIVITY; ABSORPTION; COMBUSTION; CHARS; STEAM AB The high-temperature, high-pressure, entrained-flow, laboratory-scale gasifier at the Colorado School of Mines, including the primary systems and the supporting subsystems, is presented. The gasifier is capable of operating at temperatures and pressures up to 1650 degrees C and 40 bar. The heated section of the reactor column has an inner diameter of 50 mm and is 1 m long. Solid organic feedstock (e.g., coal, biomass, and solid waste) is ground into batches with particle sizes ranging from 25 to 90 mu m and is delivered to the reactor at feed rates of 2-20 g/min. The maximum useful power output of the syngas is 10 kW, with a nominal power output of 1.2 kW. The initial characterization and demonstration results of the gasifier system with a coal feedstock are also reported. (C) 2015 AIP Publishing LLC. C1 [Kelley, Madison A.; Dreyer, Christopher B.; Parker, Terence E.; Porter, Jason M.] Colorado Sch Mines, Dept Mech Engn, Golden, CO 80401 USA. [Jakulewicz, Micah S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Porter, JM (reprint author), Colorado Sch Mines, Dept Mech Engn, Golden, CO 80401 USA. EM jporter@mines.edu FU Department of Energy [DE-NT0005202]; Praxair, Inc. [DE-FE0004908]; National Science Foundation [CBET-1336364] FX This material is based upon work supported by the Department of Energy under Award No. DE-NT0005202, a subcontract by Praxair, Inc., under Award No. DE-FE0004908, and the National Science Foundation under Award No. CBET-1336364. We would also like to thank Peabody Energy for providing the coal samples and Zybek Advanced Products for grinding the coal powders. NR 32 TC 0 Z9 0 U1 1 U2 8 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 MAY PY 2015 VL 86 IS 5 AR 055106 DI 10.1063/1.4921196 PG 8 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CK0VQ UT WOS:000355923700051 PM 26026557 ER PT J AU Mishra, V Hardin, CL Garay, JE Dames, C AF Mishra, Vivek Hardin, Corey L. Garay, Javier E. Dames, Chris TI A 3 omega method to measure an arbitrary anisotropic thermal conductivity tensor SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID 3-OMEGA METHOD; THIN-FILMS; MUSCOVITE; CRYSTALS; EQUATION AB Previous use of the 3 omega method has been limited to materials with thermal conductivity tensors that are either isotropic or have their principal axes aligned with the natural cartesian coordinate system defined by the heater line and sample surface. Here, we consider the more general case of an anisotropic thermal conductivity tensor with finite off-diagonal terms in this coordinate system. An exact closed form solution for surface temperature has been found for the case of an ideal 3 omega heater line of finite width and infinite length, and verified numerically. We find that the common slope method of data processing yields the determinant of the thermal conductivity tensor, which is invariant upon rotation about the heater line's axis. Following this analytic result, an experimental scheme is proposed to isolate the thermal conductivity tensor elements. Using two heater lines and a known volumetric heat capacity, the arbitrary 2-dimensional anisotropic thermal conductivity tensor can be measured with a low frequency sweep. Four heater lines would be required to extend this method to measure all 6 unknown tensor elements in 3 dimensions. Experiments with anisotropic layered mica are carried out to demonstrate the analytical results. (C) 2015 AIP Publishing LLC. C1 [Mishra, Vivek; Dames, Chris] Univ Calif Berkeley, Mech Engn, Berkeley, CA 94720 USA. [Hardin, Corey L.; Garay, Javier E.] Univ Calif Riverside, Mat Sci & Engn, Riverside, CA 92521 USA. [Dames, Chris] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Dames, C (reprint author), Univ Calif Berkeley, Mech Engn, Berkeley, CA 94720 USA. EM cdames@berkeley.edu OI Mishra, Vivek/0000-0003-3953-1952 FU multidisciplinary research initiative (MRI) from the High Energy Lasers-Joint Technology Office (HEL-JTO) FX We gratefully acknowledge support from a multidisciplinary research initiative (MRI) from the High Energy Lasers-Joint Technology Office (HEL-JTO) administered by the Army Research Office (ARO). The authors thank Sean Lubner, Geoff Wehmeyer, and Fan Yang for helpful discussions during the experiments. NR 35 TC 5 Z9 5 U1 6 U2 30 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 MAY PY 2015 VL 86 IS 5 AR 054902 DI 10.1063/1.4918800 PG 11 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CK0VQ UT WOS:000355923700040 PM 26026546 ER PT J AU Patel, S Suggit, MJ Stubley, PG Hawreliak, JA Ciricosta, O Comley, AJ Collins, GW Eggert, JH Foster, JM Wark, JS Higginbotham, A AF Patel, Shamim Suggit, Matthew J. Stubley, Paul G. Hawreliak, James A. Ciricosta, Orlando Comley, Andrew J. Collins, Gilbert W. Eggert, Jon H. Foster, John M. Wark, Justin S. Higginbotham, Andrew TI Single Hit Energy-resolved Laue Diffraction SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID SHOCK; COMPRESSION; EXOPLANETS; SILICON; LASER AB In situ white light Laue diffraction has been successfully used to interrogate the structure of single crystal materials undergoing rapid (nanosecond) dynamic compression up to megabar pressures. However, information on strain state accessible via this technique is limited, reducing its applicability for a range of applications. We present an extension to the existing Laue diffraction platform in which we record the photon energy of a subset of diffraction peaks. This allows for a measurement of the longitudinal and transverse strains in situ during compression. Consequently, we demonstrate measurement of volumetric compression of the unit cell, in addition to the limited aspect ratio information accessible in conventional white light Laue. We present preliminary results for silicon, where only an elastic strain is observed. VISAR measurements show the presence of a two wave structure and measurements show that material downstream of the second wave does not contribute to the observed diffraction peaks, supporting the idea that this material may be highly disordered, or has undergone large scale rotation. (C) 2015 AIP Publishing LLC. C1 [Patel, Shamim; Suggit, Matthew J.; Stubley, Paul G.; Ciricosta, Orlando; Wark, Justin S.; Higginbotham, Andrew] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [Hawreliak, James A.; Collins, Gilbert W.; Eggert, Jon H.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Comley, Andrew J.; Foster, John M.] Atom Weap Estab, Reading RG7 4PR, Berks, England. RP Patel, S (reprint author), Univ Oxford, Dept Phys, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England. FU EPSRC [EP/J017256/1] FX We kindly acknowledge the assistance of the Jupiter laser facility staff. A.H. and P.S. gratefully acknowledge support from AWE. J.S.W. and M.J.S. acknowledge support from EPSRC under Grant No. EP/J017256/1. S.P. and P.S. acknowledge support from EPSRC. NR 29 TC 1 Z9 1 U1 1 U2 12 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 MAY PY 2015 VL 86 IS 5 AR 053908 DI 10.1063/1.4921774 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA CK0VQ UT WOS:000355923700031 PM 26026537 ER PT J AU Osuna, JL Baldocchi, DD Kobayashi, H Dawson, TE AF Osuna, Jessica L. Baldocchi, Dennis D. Kobayashi, Hideki Dawson, Todd E. TI Seasonal trends in photosynthesis and electron transport during the Mediterranean summer drought in leaves of deciduous oaks SO TREE PHYSIOLOGY LA English DT Article DE blue oak; drought; environmental stress; fluorescence; groundwater; photosynthetic capacity; phreatophyte; PSII; Quercus douglasii; savanna; V-cmax ID CARBON-DIOXIDE EXCHANGE; QUERCUS-ILEX; INTERANNUAL VARIABILITY; STOMATAL CONDUCTANCE; TEMPERATURE RESPONSE; ENERGY-DISSIPATION; NET PHOTOSYNTHESIS; XANTHOPHYLL CYCLE; ANNUAL GRASSLAND; WATER-STRESS AB The California Mediterranean savanna has harsh summer conditions with minimal soil moisture, high temperature, high incoming solar radiation and little or no precipitation. Deciduous blue oaks, Quercus douglasii Hook. and Arn., are winter-deciduous obligate phreatophytes, transpiring mostly groundwater throughout the summer drought. The objective of this work is to fully characterize the seasonal trends of photosynthesis in blue oaks as well as the mechanistic relationships between leaf structure and function. We estimate radiative load of the leaves via the FLiES model and perform in situ measurements of leaf water potential, leaf nitrogen content, an index of chlorophyll content (SPAD readings), photosynthetic and electron transport capacity, and instantaneous rates of CO2 assimilation and electron transport. We measured multiple trees over 3 years providing data from a range of conditions. Our study included one individual that demonstrated strong drought stress as indicated by changes in SPAD readings, leaf nitrogen and all measures of leaf functioning. In the year following severe environmental stress, one individual altered foliation patterns on the crown but did not die. In all other individuals, we found that net carbon assimilation and photosynthetic capacity decreased during the summer drought. SPAD values, electron transport rate (ETR) and quantum yield of photosystem II (PSII) did not show a strong decrease during the summer drought. In most individuals, PSII activity and SPAD readings did not indicate leaf structural or functional damage throughout the season. While net carbon assimilation was tightly coupled to stomatal conductance, the coupling was not as tight with ETR possibly due to contributions from photorespiration or other protective processes. Our work demonstrates that the blue oaks avoid structural damage by maintaining the capacity to convert and dissipate incoming solar radiation during the hot summer drought and are effective at fixing carbon by maximizing rates during the mild spring conditions. C1 [Osuna, Jessica L.; Baldocchi, Dennis D.; Kobayashi, Hideki; Dawson, Todd E.] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA 94551 USA. [Osuna, Jessica L.; Baldocchi, Dennis D.; Kobayashi, Hideki; Dawson, Todd E.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Ecosyst Sci Div, Berkeley, CA 94720 USA. RP Osuna, JL (reprint author), Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, POB 888,L-103, Livermore, CA 94551 USA. EM osuna2@llnl.gov RI Kobayashi, Hideki/A-9616-2010; Baldocchi, Dennis/A-1625-2009 OI Baldocchi, Dennis/0000-0003-3496-4919 FU National Science Foundation; University of California; US Department of Energy [DE-FG02-03ER63638]; Lawrence Livermore National Laboratory; US Department of Energy, National Nuclear Security Administration [DE-AC52-07NA27344, LLNL-JRNL-664018] FX Funding was provided to J.L.O. through a National Science Foundation Graduate Research Fellowship and the University of California Berkeley Chancellor's Fellowship. Work was supported in part by a US Department of Energy Terrestrial Carbon Project grant DE-FG02-03ER63638 to D.D.B. Lawrence Livermore National Laboratory provided funding to J.L.O. during manuscript preparation. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the US Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344 and LLNL-JRNL-664018. NR 52 TC 1 Z9 1 U1 8 U2 27 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 MAY PY 2015 VL 35 IS 5 BP 485 EP 500 DI 10.1093/treephys/tpv023 PG 16 WC Forestry SC Forestry GA CK2DP UT WOS:000356021100004 PM 25855663 ER PT J AU Worsley, MA Shin, SJ Merrill, MD Lenhardt, J Nelson, AJ Woo, LY Gash, AE Baumann, TF Orme, CA AF Worsley, Marcus A. Shin, Swanee J. Merrill, Matthew D. Lenhardt, Jeremy Nelson, Art J. Woo, Leta Y. Gash, Alex E. Baumann, Theodore F. Orme, Christine A. TI Ultra low Density, Monolithic WS2, MoS2, and MoS2/Graphene Aerogels SO ACS NANO LA English DT Article DE transition metal dichalcogenide (TMD); 3D assembly; cryogel; 2D materials; graphene analogues; layered material; catalysis ID HIGH-SURFACE-AREA; METAL DICHALCOGENIDE NANOSHEETS; ACTIVE EDGE SITES; HYDROGEN EVOLUTION; GRAPHENE OXIDE; MOLYBDENUM-DISULFIDE; SENSING INDENTATION; CATALYST; ELECTROCATALYSIS; NANOPARTICLES AB We describe the synthesis and characterization of monolithic, ultra low density WS2 and MoS2 aerogels, as well as a high surface area MoS2/graphene hybrid aerogel. The monolithic WS2 and MoS2 aerogels are prepared via thermal decomposition of freeze-dried ammonium thio-molybdate (ATM) and ammonium thio-tungstate (ATT) solutions, respectively. The densities of the pure dichalcogenide aerogels represent 0.4% and 0.5% of full density MoS2 and WS2, respectively, and can be tailored by simply changing the initial ATM or ATT concentrations. Similar processing in the presence of the graphene aerogel results in a hybrid structure with MoS2 sheets conformally coating the graphene scaffold. This layered motif produces a similar to 50 wt % MoS2 aerogel with BET surface area of similar to 700 m(2)/g and an electrical conductivity of 112 S/m. The MoS2/graphene aerogel shows promising results as a hydrogen evolution reaction catalyst with low onset potential (similar to 100 mV) and high current density (100 mA/cm(2) at 260 mV). C1 [Worsley, Marcus A.; Shin, Swanee J.; Merrill, Matthew D.; Lenhardt, Jeremy; Nelson, Art J.; Woo, Leta Y.; Gash, Alex E.; Baumann, Theodore F.; Orme, Christine A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Worsley, MA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM worsley1@llnl.gov OI Worsley, Marcus/0000-0002-8012-7727 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; U.S. Department of Energy [DE-AC02-05CH11231]; UC Lab Fees Research Program [12-LR-235323]; Lawrence Livermore National Laboratory Directed Research and Development (LDRD) [13-LW-099] 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. Transmission electron microscopy experiments were conducted at the National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, which is supported by the U.S. Department of Energy under Contract DE-AC02-05CH11231. Funding was provided by the UC Lab Fees Research Program under Award 12-LR-235323, and the Lawrence Livermore National Laboratory Directed Research and Development (LDRD) Grant 13-LW-099. NR 65 TC 27 Z9 27 U1 62 U2 380 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 MAY PY 2015 VL 9 IS 5 BP 4698 EP 4705 DI 10.1021/acsnano.5b00087 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CJ3KR UT WOS:000355383000006 PM 25858296 ER PT J AU Sohn, H Nowakowski, ME Liang, CY Hockel, JL Wetzlar, K Keller, S McLellan, BM Marcus, MA Doran, A Young, A Klaui, M Carman, GP Bokor, J Candler, RN AF Sohn, Hyunmin Nowakowski, Mark E. Liang, Cheng-yen Hockel, Joshua L. Wetzlar, Kyle Keller, Scott McLellan, Brenda M. Marcus, Matthew A. Doran, Andrew Young, Anthony Klaeui, Mathias Carman, Gregory P. Bokor, Jeffrey Candler, Robert N. TI Electrically Driven Magnetic Domain Wall Rotation in :Multiferroic Heterostructures to Manipulate Suspended On-Chip Magnetic Particles SO ACS NANO LA English DT Article DE multiferroics; lab-on-a-chip; energy-efficient magnetic technology; micromagnetic/elastodynamic coupled model; electrically driven magnetic domain wall motion ID OPTICAL TWEEZERS; FIELD CONTROL; NANOPARTICLES; MEMORY; STRAIN; FILMS AB In this work, we experimentally demonstrate deterministic electrically driven, strain-mediated domain wall (DW) rotation in ferromagnetic Ni rings fabricated on piezoelectric [Pb(Mg1/3Nb2/3)O-3](0.66)-[PbTiO3](0.34) (PMN-PT) substrates. While simultaneously imaging the Ni rings with X-ray magnetic circular dichroism photoemission electron microscopy, an electric field is applied across the PMN-PT substrate that induces strain in the ring structures, driving DW rotation around the ring toward the dominant PMN-PT strain axis by the inverse magnetostriction effect. The DW rotation we observe is analytically predicted using a fully coupled micromagnetic/elastodynamic multiphysics simulation, which verifies that the experimental behavior is caused by the electrically generated strain in this multiferroic system. Finally, this DW rotation is used to capture and manipulate micrometer-scale magnetic beads in a fluidic environment to demonstrate a proof-of-concept energy-efficient pathway for multiferroic-based lab-on-a-chip applications. C1 [Sohn, Hyunmin; Candler, Robert N.] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. [Liang, Cheng-yen; Hockel, Joshua L.; Wetzlar, Kyle; Keller, Scott; Carman, Gregory P.] Univ Calif Los Angeles, Dept Mech & Aerosp Engn, Los Angeles, CA 90095 USA. [Nowakowski, Mark E.; Bokor, Jeffrey] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [McLellan, Brenda M.] NYU, Polytech Sch Engn, Dept Phys, New York, NY 11201 USA. [Marcus, Matthew A.; Doran, Andrew; Young, Anthony] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Klaeui, Mathias] Johannes Gutenberg Univ Mainz, Inst Phys, D-55128 Mainz, Germany. [Candler, Robert N.] Calif NanoSyst Inst, Los Angeles, CA 90095 USA. RP Candler, RN (reprint author), Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. EM rcandler@ee.ucla.edu RI Klaui, Mathias/B-6972-2009; OI Klaui, Mathias/0000-0002-4848-2569; Keller, Scott M./0000-0001-5160-7839; Doran, Andrew/0000-0001-5158-4569 FU National Science Foundation [EEC-1160504, NSF 11-537]; NSF Center for Energy Efficient Electronics Science; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231]; EU [IFOX NMP3-LA-2010 246102]; DFG FX Samples were prepared by H.S. PEEM experiments were performed by H.S., M.E.N., J.L.H., M.A.M., A.D., and A.Y. Coupled micromagnetic/elastodynamic simulations were performed by C.-y. L and S.K. Strain measurements were performed by H.S. and K.W. Magnetic microbead experiments were carried out by M.E.N. and B.M.M. OOMMF micromagnetic simulations were performed by H.S. and B.M.M. The experiments were conceived by R.C., G.P.C., J.B., M.K., and M.E.N. The manuscript was written by M.E.N, H.S., C.-y. L, S.K., and R.C. The authors would like to thank A. Scholl for additional assistance at the PEEM end station of the Advanced Light Source. We also thank J. Clarkson and R. Ramesh for sample characterization assistance. We also acknowledge the use of the fabrication facility at the Integrated Systems Nanofabrication Cleanroom at the California NanoSystems Institute. We gratefully acknowledge support from the National Science Foundation through the Cooperative Agreement Award EEC-1160504 for Solicitation NSF 11-537 (TANMS) and the NSF Center for Energy Efficient Electronics Science. The work at the Advanced Light Source at Lawrence Berkeley National Laboratory is supported by the Director, Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy, under contract number DE-AC02-05CH11231. The work in Mainz is supported by the EU (IFOX NMP3-LA-2010 246102) and the DFG. NR 49 TC 13 Z9 13 U1 5 U2 53 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 MAY PY 2015 VL 9 IS 5 BP 4814 EP 4826 DI 10.1021/nn5056332 PG 13 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CJ3KR UT WOS:000355383000018 PM 25906195 ER PT J AU Bedford, NM Ramezani-Dakhel, H Slocik, JM Briggs, BD Ren, Y Frenkel, AI Petkov, V Heinz, H Naik, RR Knecht, MR AF Bedford, Nicholas M. Ramezani-Dakhel, Hadi Slocik, Joseph M. Briggs, Beverly D. Ren, Yang Frenkel, Anatoly I. Petkov, Valeri Heinz, Hendrik Naik, Rajesh R. Knecht, Marc R. TI Elucidation of Peptide-Directed Palladium Surface Structure for Biologically Tunable Nanocatalysts SO ACS NANO LA English DT Article DE biotemplating; peptides; atomic pair distribution function; molecular dynamics simulations; catalysis ID X-RAY-DIFFRACTION; PAIR DISTRIBUTION-FUNCTIONS; MONTE-CARLO-SIMULATION; BIOMIMETIC SYNTHESIS; ENABLED SYNTHESIS; AQUEOUS-SOLUTION; FORCE-FIELDS; NANOPARTICLES; ADSORPTION; GOLD AB Peptide-enabled synthesis of inorganic nanostructures represents an avenue to access catalytic materials with tunable and optimized properties. This is achieved via peptide complexity and programmability that is missing in traditional ligands for catalytic nanomaterials. Unfortunately, there is limited information available to correlate peptide sequence to particle structure and catalytic activity to date. As such, the application of peptide-enabled nanocatalysts remains limited to trial and error approaches. In this paper, a hybrid experimental and computational approach is introduced to systematically elucidate biomolecule-dependent structure/function relationships for peptide-capped Pd nanocatalysts. Synchrotron X-ray techniques were used to uncover substantial particle surface structural disorder, which was dependent upon the amino acid sequence of the peptide capping ligand. Nanocatalyst configurations were then determined directly from experimental data using reverse Monte Carlo methods and further refined using molecular dynamics simulation, obtaining thermodynamically stable peptide-Pd nanoparticle configurations. Sequence-dependent catalytic property differences for C-C coupling and olefin hydrogenation were then eluddated by identification of the catalytic active sites at the atomic level and quantitative prediction of relative reaction rates. This hybrid methodology provides a clear route to determine peptide-dependent structure/function relationships, enabling the generation of guidelines for catalyst design through rational tailoring of peptide sequences. C1 [Bedford, Nicholas M.; Slocik, Joseph M.; Naik, Rajesh R.] Air Force Res Lab, Mat & Mfg Directorate, Wright Patterson AFB, OH 45433 USA. [Bedford, Nicholas M.; Briggs, Beverly D.; Knecht, Marc R.] Univ Miami, Dept Chem, Coral Gables, FL 33146 USA. [Ramezani-Dakhel, Hadi; Heinz, Hendrik] Univ Akron, Dept Polymer Engn, Akron, OH 44325 USA. [Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Frenkel, Anatoly I.] Yeshiva Univ, Dept Phys, New York, NY 10016 USA. [Petkov, Valeri] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48858 USA. RP Bedford, NM (reprint author), NIST, Appl Chem & Mat Div, Boulder, CO 80305 USA. EM nicholas.bedford@nist.gov; hendrik.heinz@uakron.edu; rajesh.naik@us.af.mil; knecht@miami.edu RI Frenkel, Anatoly/D-3311-2011; Heinz, Hendrik/E-3866-2010 OI Frenkel, Anatoly/0000-0002-5451-1207; Heinz, Hendrik/0000-0002-6776-7404 FU US Air Force Office of Scientific Research; National Science Foundation [CBET-1033334, DMR-0955071, DMR-1437355]; US Department of Energy [DE-FG0203ER15476, DE-SC000687]; University of Miami; University of Akron; Synchrotron Catalysis Consortium, U.S. Department of Energy [DE-FG0205ER15688]; National Research Council; [DE-AC02-06CH11357] FX This work was supported in part by the US Air Force Office of Scientific Research (R.R.N), National Science Foundation (M.R.K. CBET-1033334, H.H. DMR-0955071, DMR-1437355), and US Department of Energy (A.F DE-FG0203ER15476, V.P. DE-SC000687). Further financial support was provided by the University of Miami and the University of Akron. Use of beamline 11-ID-C at the APS, an Office of Science User Facility operated by the US Department of Energy, was supported under Contract No. DE-AC02-06CH11357. Beamline X18B at the NSLS is supported in part by the Synchrotron Catalysis Consortium, U.S. Department of Energy, Grant No. DE-FG0205ER15688. N.M.B. acknowledges fellowship support from the National Research Council Research Associateship award. H.R. and H.H. further acknowledge the allocation of computing resources at the Ohio Supercomputer Center. NR 58 TC 24 Z9 24 U1 13 U2 62 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 MAY PY 2015 VL 9 IS 5 BP 5082 EP 5092 DI 10.1021/acsnano.5b00168 PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CJ3KR UT WOS:000355383000044 PM 25905675 ER PT J AU Yoo, J Nguyen, BM Campbell, IH Dayeh, SA Schuele, P Evans, D Picraux, ST AF Yoo, Jinkyoung Binh-Minh Nguyen Campbell, Ian H. Dayeh, Shadi A. Schuele, Paul Evans, David Picraux, S. Tom TI Si Radial p-i-n Junction Photovoltaic Arrays with Built-In Light Concentrators SO ACS NANO LA English DT Article DE photovoltaic; radial p-n junction; silicon nanowire; quantum efficiency; finite difference time domain calculation ID SILICON NANOWIRE ARRAYS; OPTICAL-ABSORPTION ENHANCEMENT; SOLAR-CELLS; NANOSTRUCTURES; COLLECTION; CRYSTALS; SHAPE AB High-performance photovoltaic (PV) devices require strong light absorption, low reflection and efficient photogenerated carrier collection for high quantum efficiency. Previous optical studies of vertical wires arrays have revealed that extremely efficient light absorption in the visible wavelengths is achievable. Photovoltaic studies have further advanced the wire approach by employing radial p-n junction architectures to achieve more efficient carrier collection. While radial p-n junction formation and optimized light absorption have independently been considered, PV efficiencies have further opportunities for enhancement by exploiting the radial p-n junction fabrication procedures to form arrays that simultaneously enhance both light absorption and carrier collection efficiency. Here we report a concept of morphology control to improve PV performance, light absorption and quantum efficiency of silicon radial p-i-n junction arrays. Surface energy minimization during vapor phase epitaxy is exploited to form match-head structures at the tips of the wires. The match-head structure acts as a built-in light concentrator and enhances optical absorptance and external quantum efficiencies by 30 to 40%, and PV efficiency under AM 1.5G illumination by 20% compared to cylindrical structures without match-heads. The design rules for these improvements with match-head arrays are systematically studied. This approach of process-enhanced control of three-dimensional Si morphologies provides a fab-compatible way to enhance the PV performance of Si radial p-n junction wire arrays. C1 [Yoo, Jinkyoung; Binh-Minh Nguyen; Picraux, S. Tom] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Campbell, Ian H.] Los Alamos Natl Lab, Mat Phys & Applicat 11, Los Alamos, NM 87545 USA. [Dayeh, Shadi A.] Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. [Schuele, Paul; Evans, David] Sharp Labs, Camas, WA 98607 USA. RP Yoo, J (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM jyoo@lanl.gov; picraux@lanl.gov RI Yoo, Jinkyoung/B-5291-2008 OI Yoo, Jinkyoung/0000-0002-9578-6979 FU U.S. Department of Energy, Office of Basic Energy Sciences User Facility at Los Alamos National Laboratory [DE-AC52-06NA25396]; Sandia National Laboratories [DE-AC04-94AL85000]; Laboratory Directed Research and Development Program at LANL; DOE Office of Energy Efficiency and Renewable Energy, Solar Energy Program [EB2101010]; Los Alamos National Laboratory; US National Science Foundation [CBET-1236155, ECCS-1351980] FX This work was performed in part at CINT, a U.S. Department of Energy, Office of Basic Energy Sciences User Facility at Los Alamos National Laboratory (Contract DE-AC52-06NA25396) and Sandia National Laboratories (Contract DE-AC04-94AL85000), and funded in part by the Laboratory Directed Research and Development Program at LANL and the DOE Office of Energy Efficiency and Renewable Energy, Solar Energy Program (EB2101010), a director's postdoctoral fellowship for B.-M.N. at Los Alamos National Laboratory. S.A.D. acknowledges support from the US National Science Foundation (CBET-1236155 and ECCS-1351980). NR 33 TC 3 Z9 3 U1 4 U2 30 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 MAY PY 2015 VL 9 IS 5 BP 5154 EP 5163 DI 10.1021/acsnano.5b00500 PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CJ3KR UT WOS:000355383000051 PM 25961330 ER PT J AU Lin, JH Pantelides, ST Zhou, W AF Lin, Junhao Pantelides, Sokrates T. Zhou, Wu TI Vacancy-Induced Formation and Growth of Inversion Domains in Transition-Metal Dichalcogenide Monolayer SO ACS NANO LA English DT Article DE transition-metal dichalcogenide; vacancy; defect dynamics; inversion domain; grain boundaries ID SINGLE-LAYER MOS2; MOLYBDENUM-DISULFIDE; GRAIN-BOUNDARIES; PHASE-TRANSITION; DYNAMICS; GRAPHENE; DEFECTS; PHOTOLUMINESCENCE; TRANSPORT AB Sixty degree grain boundaries in semiconducting transition-metal dichalcogenide (TMDC) monolayers have been shown to act as conductive channels that have profound influence on both the transport properties and exciton behavior of the monolayers. Here, we show that annealing TMDC monolayers at high temperature induces the formation of large-scale inversion domains surrounded by such 60 degrees grain boundaries. To study the formation mechanism of such inversion domains, we use the electron beam in a scanning transmission electron microscope to activate the dynamic process within pristine TMDC monolayers. The electron beam acts to generate chalcogen vacancies in TMDC monolayers and provide energy for them to undergo structural evolution. We directly visualize the nucleation and growth of such inversion domains and their 60 degrees grain boundaries atom-by-atom within a MoSe2 monolayer and explore their formation mechanism. Combined with density functional theory, we conclude that the nucleation of the inversion domains and migration of their 60 degrees grain boundaries are driven by the collective evolution of Se vacancies and subsequent displacement of Mo atoms, where such a dynamical process reduces the vacancy-induced lattice shrinkage and stabilizes the system. These results can help to understand the performance of such materials under severe conditions (e.g., high temperature). C1 [Lin, Junhao; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Lin, Junhao; Pantelides, Sokrates T.; Zhou, Wu] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Zhou, W (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM wu.zhou.stem@gmail.com RI Lin, Junhao/D-7980-2015; Zhou, Wu/D-8526-2011 OI Lin, Junhao/0000-0002-2195-2823; Zhou, Wu/0000-0002-6803-1095 FU U.S. DOE [DE-FG02-09ER46554]; U.S. Department of Energy, Office of Science, Basic Energy Science, Materials Sciences and Engineering Division; ORNL's Center for Nanophase Materials Sciences (CNMS) - Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX We thank Dhiraj Prasai and Dr. Kirill I. Bolotin for helping with the TEM sample preparation, Dave Caudel, Dr. Arnold Burger, Nirmal J. Ghimire, Jiaqiang Yan, and Dr. David G. Mandrus for providing the bulk samples used for mechanical exfoliation, and Dr. Bin Wang for helpful discussions. This research was supported in part by U.S. DOE Grant DE-FG02-09ER46554 (J.L., S.T.P.), by the U.S. Department of Energy, Office of Science, Basic Energy Science, Materials Sciences and Engineering Division (W.Z.), and through a user project supported by ORNL's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 39 TC 21 Z9 21 U1 17 U2 120 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 MAY PY 2015 VL 9 IS 5 BP 5189 EP 5197 DI 10.1021/acsnano.5b00554 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CJ3KR UT WOS:000355383000054 PM 25905570 ER PT J AU Hu, DH Liu, Q Tisdale, J Lei, T Pei, J Wang, H Urbas, A Hu, B AF Hu, Dehua Liu, Qing Tisdale, Jeremy Lei, Ting Pei, Jian Wang, Hsin Urbas, Augustine Hu, Bin TI Seebeck Effects in N-Type and P-Type Polymers Driven Simultaneously by Surface Polarization and Entropy Differences Based on Conductor/Polymer/Conductor Thin-Film Devices SO ACS NANO LA English DT Article DE Seebeck effects; charge-transfer states; surface polarization; entropy difference; n-type organic polymer; p-type organic polymer ID ENHANCEMENT; DENSITY; VOLTAGE; STATES AB This paper reports Seebeck effects driven by both surface polarization difference and entropy difference by using photoinduced intramolecular charge-transfer states in n-type and p-type conjugated polymers, namely IIDT and IIDDT, respectively, based on vertical conductor/polymer/conductor thin-film devices. We obtain large Seebeck coefficients of 898 mu V/K from n-type IIDT and 1300 mu V/K from p-type IIDDT when the charge-transfer states are generated by a white light illumination of 100 mW/cm(2), compared with the values of 380 and 4700 mu V/K in dark condition, respectively. Simultaneously, the electrical conductivities are increased from almost insulating state in dark condition to conducting state under photoexcitation in both n-type IIDT and p-type IIDDT based devices. The large Seebeck effects can be attributed to the following two mechanisms. First, the intramolecular charge-transfer states exhibit strong electron phonon coupling, which leads to a polarization difference between high and low temperature surfaces. This polarization difference essentially forms a temperature-dependent electric field, functioning as a new driving force additional to entropy difference, to drive the energetic carriers for the development of Seebeck effects under a temperature difference. Second, the intramolecular charge-transfer states generate negative or positive majority carriers (electrons or holes) in the n-type IIDT or p-type IIDDT, ready to be driven between high and low temperature surfaces for developing Seebeck effects. On the basis of coexisted polarization difference and entropy difference, the intramolecular charge-transfer states can largely enhance the Seebeck effects in both n-type IIDT and p-type IIDDT devices. Furthermore, we find that changing electrical conductivity can switch the Seebeck effects between polarization and entropy regimes when the charge-transfer states are generated upon applying photoexcitation. Therefore, using intramolecular charge-transfer states presents an approach to develop thermoelectric effects in organic materials-based vertical conductor/polymer/conductor thin-film devices. C1 [Hu, Bin] Beijing Jiaotong Univ, Coll Sci, Beijing 100044, Peoples R China. [Hu, Dehua; Liu, Qing; Tisdale, Jeremy; Hu, Bin] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Lei, Ting; Pei, Jian] Peking Univ, Beijing Natl Lab Mol Sci, Key Lab Bioorgan Chem & Mol Engn, Minist Educ,Coll Chem & Mol Engn, Beijing 100871, Peoples R China. [Wang, Hsin] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Urbas, Augustine] Air Force Res Lab, Wright Patterson AFB, OH 45433 USA. RP Hu, B (reprint author), Beijing Jiaotong Univ, Coll Sci, Beijing 100044, Peoples R China. EM bhu@utk.edu RI Wang, Hsin/A-1942-2013 OI Wang, Hsin/0000-0003-2426-9867 FU NSF [ECCS-0644945]; Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy [CNMS2012-106, CNMS2012-107]; UT-Battelle LLC [DE-AC05000OR22725]; National Significant Program [2014CB643506, 2013CB922104]; National Science Foundation [61077020, 61205034, 61475051] FX The authors would like to acknowledge the financial supports from the NSF (ECCS-0644945). This research was partially conducted at the Center for Nanophase Materials Sciences based on user project (CNMS2012-106 and CNMS2012-107), which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy. H. Wang would like to thank the support of the assistant secretary for Energy Efficiency and Renewable Energy of the Department of Energy and the Propulsion Materials program under the Vehicle Technologies program. Oak Ridge National Laboratory is managed by UT-Battelle LLC under contract DE-AC05000OR22725. The authors also acknowledge the project support from National Significant Program (2014CB643506, 2013CB922104) and National Science Foundation (Grant Nos. 61077020, 61205034, 61475051). NR 22 TC 7 Z9 7 U1 11 U2 73 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 MAY PY 2015 VL 9 IS 5 BP 5208 EP 5213 DI 10.1021/acsnano.5b00589 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CJ3KR UT WOS:000355383000056 PM 25877512 ER PT J AU Segal-Peretz, T Winterstein, J Doxastakis, M Ramirez-Hernandez, A Biswas, M Ren, JX Suh, HS Darling, SB Liddle, JA Elam, JW de Pablo, JJ Zaluzec, NJ Nealey, PF AF Segal-Peretz, Tamar Winterstein, Jonathan Doxastakis, Manolis Ramirez-Hernandez, Abelardo Biswas, Mahua Ren, Jiaxing Suh, Hyo Seon Darling, Seth B. Liddle, J. Alexander Elam, Jeffrey W. de Pablo, Juan J. Zaluzec, Nestor J. Nealey, Paul F. TI Characterizing the Three-Dimensional Structure of Block Copolymers via Sequential Infiltration Synthesis and Scanning Transmission Electron Tomography SO ACS NANO LA English DT Article DE block copolymers; self-assembly; TEM; STEM; tomography; SIS ID ATOMIC LAYER DEPOSITION; THIN-FILMS; DIRECT VISUALIZATION; DIBLOCK COPOLYMER; WETTING BEHAVIOR; RADIATION-DAMAGE; STEM TOMOGRAPHY; LITHOGRAPHY; MORPHOLOGY; MICROTOMOGRAPHY AB Understanding and controlling the three-dimensional structure of block copolymer (BCP) thin films is critical for utilizing these materials for sub-20 nm nanopatterning in semiconductor devices, as well as in membranes and solar cell applications. Combining an atomic layer deposition (ALD)-based technique for enhancing the contrast of BCPs in transmission electron microscopy (TEM) together with scanning TEM (STEM) tomography reveals and characterizes the three-dimensional structures of poly(styrene-block-methyl methacrylate) (PS-b-PMMA) thin films with great clarity. Sequential infiltration synthesis (SIS), a block-selective technique for growing inorganic materials in BCPs films in an ALD tool and an emerging technique for enhancing the etch contrast of BCPs, was harnessed to significantly enhance the high-angle scattering from the polar domains of BCP films in the TEM. The power of combining SIS and STEM tomography for three-dimensional (3D) characterization of BCP films was demonstrated with the following cases: self-assembled cylindrical, lamellar, and spherical PS-b-PMMA thin films. In all cases, STEM tomography has revealed 3D structures that were hidden underneath the surface, including (1) the 3D structure of defects in cylindrical and lamellar phases, (2) the nonperpendicular 3D surface of grain boundaries in the cylindrical phase, and (3) the 3D arrangement of spheres in body-centered-cubic (BCC) and hexagonal-closed-pack (HCP) morphologies in the spherical phase. The 3D data of the spherical morphologies was compared to coarse-grained simulations and assisted in validating the simulations' parameters. STEM tomography of SIS-treated BCP films enables the characterization of the exact structure used for pattern transfer and can lead to a better understating of the physics that is utilized in BCP lithography. C1 [Segal-Peretz, Tamar; Doxastakis, Manolis; Ramirez-Hernandez, Abelardo; Ren, Jiaxing; Suh, Hyo Seon; Darling, Seth B.; de Pablo, Juan J.; Nealey, Paul F.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. [Segal-Peretz, Tamar; Doxastakis, Manolis; Ramirez-Hernandez, Abelardo; Suh, Hyo Seon; de Pablo, Juan J.; Nealey, Paul F.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Biswas, Mahua; Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Darling, Seth B.; Zaluzec, Nestor J.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Winterstein, Jonathan; Liddle, J. Alexander] NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA. RP Nealey, PF (reprint author), Univ Chicago, Inst Mol Engn, 5747 South Ellis Ave, Chicago, IL 60637 USA. EM nealey@uchicago.edu RI Ramirez-Hernandez, Abelardo/A-1717-2011; Liddle, James/A-4867-2013; OI Ramirez-Hernandez, Abelardo/0000-0002-3569-5223; Liddle, James/0000-0002-2508-7910; Doxastakis, Manolis/0000-0002-9175-9906 FU Weizmann Institute of Science National Postdoctoral Award Program for Advancing Women in Science; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences at the Materials Science Division [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences at the Center for Nanoscale Materials [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences at the Electron Microscopy Center in the NanoScience and Technology Division in Argonne National Laboratory [DE-AC02-06CH11357]; U.S. Department of Commerce, National Institute of Standards and Technology as part of the CHiMad [70NHNB14H012] FX T.S.-P. is an Awardee of the Weizmann Institute of Science National Postdoctoral Award Program for Advancing Women in Science. This work was supported in part by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, at the Materials Science Division, at the Center for Nanoscale Materials, and at the Electron Microscopy Center in the NanoScience and Technology Division, all in Argonne National Laboratory under Contract No. DE-AC02-06CH11357. The project was in part funded by award 70NHNB14H012 from the U.S. Department of Commerce, National Institute of Standards and Technology, as part of the CHiMad. We gratefully acknowledge the computing resources provided on Blues, high-performance computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. NR 58 TC 15 Z9 15 U1 12 U2 82 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 MAY PY 2015 VL 9 IS 5 BP 5333 EP 5347 DI 10.1021/acsnano.5b01013 PG 15 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CJ3KR UT WOS:000355383000069 PM 25919347 ER PT J AU Fagan, JA Haroz, EH Ihly, R Gui, H Blackburn, JL Simpson, JR Lam, S Walker, ARH Doorn, SK Zheng, M AF Fagan, Jeffrey A. Haroz, Erik H. Ihly, Rachelle Gui, Hui Blackburn, Jeffrey L. Simpson, Jeffrey R. Lam, Stephanie Walker, Angela R. Hight Doorn, Stephen K. Zheng, Ming TI Isolation of > 1 nm Diameter Single-Wall Carbon Nanotube Species Using Aqueous Two-Phase Extraction SO ACS NANO LA English DT Article DE single-wall carbon nanotube; separation; two-phase extraction ID DENSITY-GRADIENT ULTRACENTRIFUGATION; LENGTH FRACTIONATION; CHIRALITY SEPARATION; GEL CHROMATOGRAPHY; LARGE-SCALE; ENRICHMENT; SYSTEMS; DISTRIBUTIONS; DISPERSIONS; RECOGNITION AB In this contribution we demonstrate the effective separation of single-wall carbon nanotube (SWCNT) species with diameters larger than 1 nm through multistage aqueous two-phase extraction (ATPE), including isolation at the near-monochiral species level up to at least the diameter range of SWCNTs synthesized by electric arc synthesis (1.3-1.6 nm). We also demonstrate that refined species are readily obtained from both the metallic and semiconducting subpopulations of SWCNTs and that this methodology is effective for multiple SWCNT raw materials. Using these data, we report an empirical function for the necessary surfactant concentrations in the ATPE method for separating different SWCNTs into either the lower or upper phase as a function of SWCNT diameter. This empirical correlation enables predictive separation design and identifies a subset of SWCNTs that behave unusually as compared to other species. These results not only dramatically increase the range of SWCNT diameters to which species selective separation can be achieved but also demonstrate that aqueous two-phase separations can be designed across experimentally accessible ranges of surfactant concentrations to controllably separate SWOT populations of very small (similar to 0.62 nm) to very large diameters (>1.7 nm). Together, the results reported here indicate that total separation of all SWCNT species is likely feasible by the ATPE method, especially given future development of multistage automated extraction techniques. C1 [Fagan, Jeffrey A.; Lam, Stephanie; Zheng, Ming] NIST, Mat Sci & Engn Div, Gaithersburg, MD 20899 USA. [Simpson, Jeffrey R.; Walker, Angela R. Hight] NIST, Semicond & Dimens Metrol Div, Gaithersburg, MD 20899 USA. [Haroz, Erik H.; Doorn, Stephen K.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Ihly, Rachelle; Blackburn, Jeffrey L.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Gui, Hui] Univ So Calif, Dept Chem Engn & Mat Sci, Los Angeles, CA 90089 USA. RP Fagan, JA (reprint author), NIST, Mat Sci & Engn Div, Gaithersburg, MD 20899 USA. EM jeffrey.fagan@nist.gov RI Hight Walker, Angela/C-3373-2009; OI Hight Walker, Angela/0000-0003-1385-0672; Fagan, Jeffrey/0000-0003-1483-5554 FU LANL-LDRD program; LANL; Solar Photochemistry Program of the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-AC36-08GO28308] FX E.H.H. and S.K.D. acknowledge partial support from the LANL-LDRD program. E.H.H. also gratefully acknowledges support from the LANL Director's Postdoctoral Fellowship. J.L.B. and R.I. graciously acknowledge support 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. NR 62 TC 28 Z9 28 U1 15 U2 88 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 MAY PY 2015 VL 9 IS 5 BP 5377 EP 5390 DI 10.1021/acsnano.5b01123 PG 14 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CJ3KR UT WOS:000355383000074 PM 25871430 ER PT J AU Akin, C Yi, JG Feldman, LC Durand, C Hus, SM Li, AP Filler, MA Shan, JW AF Akin, Cevat Yi, Jingang Feldman, Leonard C. Durand, Corentin Hus, Saban M. Li, An-Ping Filler, Michael A. Shan, Jerry W. TI Contactless Determination of Electrical Conductivity of One-Dimensional Nanomaterials by Solution-Based Electro-orientation Spectroscopy SO ACS NANO LA English DT Article DE electro-orientation; electrical conductivity measurement; nanowires; nanotubes; postgrowth sorting ID WALLED CARBON NANOTUBES; NANOWIRE; SEPARATION; DEVICES; WIRES AB Nanowires of the same composition, and even fabricated within the same batch, often exhibit electrical conductivities that can vary by orders of magnitude. Unfortunately, existing electrical characterization methods are time-consuming, making the statistical survey of highly variable samples essentially impractical. Here, we demonstrate a contactless, solution-based method to efficiently measure the electrical conductivity of 1D nanomaterials based on their transient alignment behavior in ac electric fields of different frequencies. Comparison with direct transport measurements by probe-based scanning tunneling microscopy shows that electro-orientation spectroscopy can quantitatively measure nanowire conductivity over a 5-order-of-magnitude range, 10(-5)-1 Omega(-1) m(-1) (corresponding to resistivities in the range 10(2)-10(7) Omega.cm). With this method, we statistically characterize the conductivity of a variety of nanowires and find significant variability in silicon nanowires grown by metal-assisted chemical etching from the same wafer. We also find that the active carrier concentration of n-type silicon nanowires is greatly reduced by surface traps and that surface passivation increases the effective conductivity by an order of magnitude. This simple method makes electrical characterization of insulating and semiconducting 1D nanomaterials far more efficient and accessible to more researchers than current approaches. Electro-orientation spectroscopy also has the potential to be integrated with other solution-based methods for the high-throughput sorting and manipulation of 1D nanomaterials for postgrowth device assembly. C1 [Akin, Cevat; Yi, Jingang; Shan, Jerry W.] Rutgers State Univ, Dept Mech & Aerosp Engn, Piscataway, NJ 08854 USA. [Feldman, Leonard C.] Rutgers State Univ, Inst Adv Mat Devices & Nanotechnol, Piscataway, NJ 08854 USA. [Durand, Corentin; Hus, Saban M.; Li, An-Ping] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Filler, Michael A.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. RP Shan, JW (reprint author), Rutgers State Univ, Dept Mech & Aerosp Engn, Piscataway, NJ 08854 USA. EM jshan@jove.rutgers.edu RI Hus, Saban/J-3318-2016; Li, An-Ping/B-3191-2012 OI Hus, Saban/0000-0002-3410-9878; Li, An-Ping/0000-0003-4400-7493 FU National Science Foundation [CBET 0644719]; Chemical and Biological Technologies Department of the Defense Threat Reduction Agency (DTRA-CB) [BA12PHM123]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX This work was supported in part by the National Science Foundation (CBET 0644719) and by the Chemical and Biological Technologies Department of the Defense Threat Reduction Agency (DTRA-CB) via grant BA12PHM123 in the "Dynamic Multifunctional Materials for a Second Skin D[MS]2" program (J.W.S. and CA.). Four-probe STM measurements (CD., S.M.H., and A.-P.L.) were 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 40 TC 4 Z9 4 U1 2 U2 24 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 MAY PY 2015 VL 9 IS 5 BP 5405 EP 5412 DI 10.1021/acsnano.5b01170 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CJ3KR UT WOS:000355383000076 PM 25941841 ER PT J AU Luo, LL Yang, H Yan, PF Travis, JJ Lee, Y Liu, N Piper, DM Lee, SH Zhao, P George, SM Zhang, JG Cui, Y Zhang, SL Ban, CM Wang, CM AF Luo, Langli Yang, Hui Yan, Pengfei Travis, Jonathan J. Lee, Younghee Liu, Nian Piper, Daniela Molina Lee, Se-Hee Zhao, Peng George, Steven M. Zhang, Ji-Guang Cui, Yi Zhang, Sulin Ban, Chunmei Wang, Chong-Min TI Surface-Coating Regulated Lithiation Kinetics and Degradation in Silicon Nanowires for Lithium Ion Battery SO ACS NANO LA English DT Article DE Silicon nanowire; lithium ion battery; surface coating; in situ TEM ID ANODE MATERIAL; ELECTROCHEMICAL LITHIATION; SI NANOPARTICLES; LAYER DEPOSITION; CATHODE MATERIAL; COATED SILICON; PERFORMANCE; FRACTURE; OXIDE; NANOCOMPOSITE AB Silicon (Si)-based materials hold promise as the next-generation anodes for high-energy lithium (Li)-ion batteries. Enormous research efforts have been undertaken to mitigate the chemo-mechanical failure due to the large volume changes of Si during lithiation and delithiation cycles. It has been found that nanostructured Si coated with carbon or other functional materials can lead to significantly improved cyclability. However, the underlying mechanism and comparative performance of different coatings remain poorly understood. Herein, using in situ transmission electron microscopy (TEM) through a nanoscale half-cell battery, in combination with chemo-mechanical simulation, we explored the effect of thin (similar to 5 nm) alucone and Al2O3 coatings on the lithiation kinetics of Si nanowires (SiNWs). We observed that the alucone coating leads to a "V-shaped" lithiation front of the SiNWs, while the Al2O3 coating yields an "H-shaped" lithiation front. These observations indicate that the difference between the Li surface diffusivity and bulk lithiation rate of the coatings dictates lithiation induced morphological evolution in the nanowires. Our experiments also indicate that the reaction rate in the coating layer can be the limiting step for lithiation and therefore critically influences the rate performance of the battery. Further, the failure mechanism of the Al2O3 coated SiNWs was also explored. Our studies shed light on the design of high capacity, high rate and long cycle life Li-ion batteries. C1 [Luo, Langli; Yan, Pengfei; Wang, Chong-Min] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Yang, Hui; Zhao, Peng; Zhang, Sulin] Penn State Univ, Engn Sci & Mech & Bioengn, University Pk, PA 16802 USA. [Travis, Jonathan J.; Lee, Younghee; Piper, Daniela Molina; Lee, Se-Hee; George, Steven M.] Univ Colorado, Boulder, CO 80309 USA. [Liu, Nian; Cui, Yi] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. [Cui, Yi] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Ban, Chunmei] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Zhang, SL (reprint author), Penn State Univ, Engn Sci & Mech & Bioengn, University Pk, PA 16802 USA. EM suz10@psu.edu; Chunmei.Ban@nrel.gov; Chongmin.Wang@pnnl.gov RI Luo, Langli/B-5239-2013; YANG, HUI/H-6996-2012; Lee, Sehee/A-5989-2011; Zhang, Sulin /E-6457-2010; George, Steven/O-2163-2013; yan, pengfei/E-4784-2016 OI YANG, HUI/0000-0002-2628-4676; Luo, Langli/0000-0002-6311-051X; George, Steven/0000-0003-0253-9184; yan, pengfei/0000-0001-6387-7502 FU Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231, 18769, DE-AC-36-08GO28308] FX This work at PNNL, NREL, and Stanford is supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, Subcontract No. 18769 and DE-AC-36-08GO28308 under the Advanced Batteries Materials Research. The in situ microscopic study described in this paper is supported by the NR 45 TC 20 Z9 21 U1 32 U2 198 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 MAY PY 2015 VL 9 IS 5 BP 5559 EP 5566 DI 10.1021/acsnano.5b01681 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA CJ3KR UT WOS:000355383000093 PM 25893684 ER PT J AU Jo, I Pettes, MT Lindsay, L Ou, E Weathers, A Moore, AL Yao, Z Shi, L AF Jo, Insun Pettes, Michael T. Lindsay, Lucas Ou, Eric Weathers, Annie Moore, Arden L. Yao, Zhen Shi, Li TI Reexamination of basal plane thermal conductivity of suspended graphene samples measured by electro-thermal micro-bridge methods SO AIP ADVANCES LA English DT Article ID SINGLE-LAYER GRAPHENE; PHONON TRANSPORT; BORON-NITRIDE; SIO2 AB Thermal transport in suspended graphene samples has been measured in prior works and this work with the use of a suspended electro-thermal micro-bridge method. These measurement results are analyzed here to evaluate and eliminate the errors caused by the extrinsic thermal contact resistance. It is noted that the room-temperature thermal resistance measured in a recent work increases linearly with the suspended length of the single-layer graphene samples synthesized by chemical vapor deposition (CVD), and that such a feature does not reveal the failure of Fourier's law despite the increase in the reported apparent thermal conductivity with length. The re-analyzed apparent thermal conductivity of a single-layer CVD graphene sample reaches about 1680 +/- 180 W m(-1) K-1 at room temperature, which is close to the highest value reported for highly oriented pyrolytic graphite. In comparison, the apparent thermal conductivity values measured for two suspended exfoliated bi-layer graphene samples are about 880 +/- 60 and 730 +/- 60 Wm(-1) K-1 at room temperature, and approach that of the natural graphite source above room temperature. However, the low-temperature thermal conductivities of these suspended graphene samples are still considerably lower than the graphite values, with the peak thermal conductivities shifted to much higher temperatures. Analysis of the thermal conductivity data reveals that the low temperature behavior is dominated by phonon scattering by polymer residue instead of by the lateral boundary. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [Jo, Insun; Yao, Zhen] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Pettes, Michael T.; Ou, Eric; Weathers, Annie; Shi, Li] Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA. [Pettes, Michael T.] Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA. [Pettes, Michael T.] Univ Connecticut, Inst Mat Sci, Storrs, CT 06269 USA. [Lindsay, Lucas] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Moore, Arden L.] Louisiana Tech Univ, Dept Mech Engn, Ruston, LA 71272 USA. [Moore, Arden L.] Louisiana Tech Univ, Inst Micromfg, Ruston, LA 71272 USA. RP Shi, L (reprint author), Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA. EM lishi@mail.utexas.edu RI Lindsay, Lucas/C-9221-2012; Shi, Li/C-8123-2013; Moore, Arden/G-9227-2014; OI Lindsay, Lucas/0000-0001-9645-7993; Shi, Li/0000-0002-5401-6839; Moore, Arden/0000-0002-9217-7510; Pettes, Michael/0000-0001-6862-6841 FU U. S. Department of Energy, Office of Basic Energy Sciences Physical Behavior of Materials Program [DEFG02-07ER46377]; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; National Science Foundation FX This work is supported primarily by the U. S. Department of Energy, Office of Basic Energy Sciences Physical Behavior of Materials Program Award No. DEFG02-07ER46377. L.L. acknowledges support from the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division for work done at ORNL. A.W. acknowledges support from a National Science Foundation Graduate Research Fellowship. The authors thank Drs. Xiangfan Xu and Baowen Li for sharing their experimental thermal resistance data for CVD graphene samples. NR 49 TC 6 Z9 6 U1 1 U2 18 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 MAY PY 2015 VL 5 IS 5 AR 053206 DI 10.1063/1.4921519 PG 12 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CJ5XV UT WOS:000355568100007 ER PT J AU Maggi, F Riley, WJ AF Maggi, Federico Riley, William J. TI The effect of temperature on the rate, affinity, and N-15 fractionation of NO3 (-) during biological denitrification in soils SO BIOGEOCHEMISTRY LA English DT Article DE Denitrification; N-14 and N-15; Kinetic isotopic effects; Affinity; Temperature; Arrhenius; Transition-state theory ID ISOTOPE FRACTIONATION; NITROUS-OXIDE; KINETICS; NITRATE; NITRIFICATION; REDUCTION; DECOMPOSITION; ENRICHMENT; SUBSTRATE; PATHWAYS AB Nine independent experiments of NO3 (-) denitrification were analysed using the Arrhenius law and the Eyring's transition-state theory to highlight how temperature affects reaction rate constants, affinities, and kinetic isotopic effects. For temperatures between 20 and 35 A degrees C, the Arrhenius law and the transition-state theory described equally well observed temperature increases in (NO3)-N-14 (-) and (NO3)-N-15 (-)denitrification rates (R > 0.99 and residuals NRMSE < 3.39 %, p < 0.01). These increases were partly caused by an increase in frequency factor and a slight decrease in activation energy (enthalpy and entropy). Parametric analysis also showed that the affinity of (NO3)-N-14 (-) and (NO3)-N-15 (-) toward a microbial enzyme increased exponentially with temperature and a strong correlation with the rate constants was found (R = 0.93, p < 0.01). Experimental time- and temperature-averaged fractionation factor alpha (P/S) showed only a slight increase with increasing temperature (i.e. lower isotopic effects); however, a comprehensive sensitivity analysis in the concentration-temperature domain using average thermodynamic quantities estimated here showed a more complex response; alpha (P/S) was relatively constant for initial bulk concentrations [NO3 (-)](0) a parts per thousand currency sign 0.01 mol kg(-1), while substantial nonlinearities developed for [NO3 (-)](0) a parts per thousand yen 0.01 mol kg(-1) and appeared to be strongly correlated with microbial biomass, whose concentration and activity varied primarily as a function of temperature and available substrate. Values of alpha (P/S) ranging between 0.9 and 0.98 for the tested temperatures suggested that interpretations of environmental isotopic signatures should include a sensitivity analysis to the temperature as this affects directly the rate constants and affinities in biochemical reactions and may hide process- and source-related isotopic effects. C1 [Maggi, Federico] Univ Sydney, Sch Civil Engn, Lab Adv Environm Engn Res, Sydney, NSW 2006, Australia. [Riley, William J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Climate & Carbon Dept, Earth Syst Div, Berkeley, CA 94720 USA. RP Maggi, F (reprint author), Univ Sydney, Sch Civil Engn, Lab Adv Environm Engn Res, Sydney, NSW 2006, Australia. EM federico.maggi@sydney.edu.au RI Riley, William/D-3345-2015 OI Riley, William/0000-0002-4615-2304 NR 50 TC 2 Z9 2 U1 5 U2 41 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0168-2563 EI 1573-515X J9 BIOGEOCHEMISTRY JI Biogeochemistry PD MAY PY 2015 VL 124 IS 1-3 BP 235 EP 253 DI 10.1007/s10533-015-0095-2 PG 19 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA CJ6RE UT WOS:000355620200016 ER PT J AU Yoon, H Leitner, T AF Yoon, Hyejin Leitner, Thomas TI PrimerDesign-M: a multiple-alignment based multiple-primer design tool for walking across variable genomes SO BIOINFORMATICS LA English DT Article ID SOFTWARE; DIMER AB Analyses of entire viral genomes or mtDNA requires comprehensive design of many primers across their genomes. Furthermore, simultaneous optimization of several DNA primer design criteria may improve overall experimental efficiency and downstream bioinformatic processing. To achieve these goals, we developed PrimerDesign-M. It includes several options for multiple-primer design, allowing researchers to efficiently design walking primers that cover long DNA targets, such as entire HIV-1 genomes, and that optimizes primers simultaneously informed by genetic diversity in multiple alignments and experimental design constraints given by the user. PrimerDesign-M can also design primers that include DNA barcodes and minimize primer dimerization. PrimerDesign-M finds optimal primers for highly variable DNA targets and facilitates design flexibility by suggesting alternative designs to adapt to experimental conditions. C1 [Yoon, Hyejin; Leitner, Thomas] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. RP Leitner, T (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. EM seq-info@lanl.gov; tkl@lanl.gov FU National Institutes of Health - Department of Energy (NIH-DOE) [Y1-AI-8309]; National Institutes of Health (NIH) [R01AI087520] FX This project was funded by a National Institutes of Health - Department of Energy (NIH-DOE) interagency agreement [Y1-AI-8309] and National Institutes of Health (NIH) [grant R01AI087520]. NR 12 TC 4 Z9 4 U1 3 U2 11 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 EI 1460-2059 J9 BIOINFORMATICS JI Bioinformatics PD MAY 1 PY 2015 VL 31 IS 9 BP 1472 EP 1474 DI 10.1093/bioinformatics/btu832 PG 3 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA CJ7HP UT WOS:000355665800020 PM 25524896 ER PT J AU Adebali, O Ortega, DR Zhulin, IB AF Adebali, Ogun Ortega, Davi R. Zhulin, Igor B. TI CDvist: a webserver for identification and visualization of conserved domains in protein sequences SO BIOINFORMATICS LA English DT Article ID PREDICTION; DATABASE AB A Summary: Identification of domains in protein sequences allows their assigning to biological functions. Several webservers exist for identification of protein domains using similarity searches against various databases of protein domain models. However, none of them provides comprehensive domain coverage while allowing bulk querying and their visualization schemes can be improved. To address these issues, we developed CDvist (a comprehensive domain visualization tool), which combines the best available search algorithms and databases into a user-friendly framework. First, a given protein sequence is matched to domain models using high-specificity tools and only then unmatched segments are subjected to more sensitive algorithms resulting in a best possible comprehensive coverage. Bulk querying and rich visualization and download options provide improved functionality to domain architecture analysis. C1 [Adebali, Ogun; Ortega, Davi R.; Zhulin, Igor B.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37861 USA. [Adebali, Ogun; Ortega, Davi R.; Zhulin, Igor B.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. RP Adebali, O (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37861 USA. EM oadebali@vols.utk.edu; ijouline@utk.edu RI Adebali, Ogun/N-4159-2016 OI Adebali, Ogun/0000-0001-9213-4070 FU NIH [GM072285]; UT-ORNL Graduate Program of Genome Science and Technology FX NIH GM072285 (to I.B.Z.). O.A. UT-ORNL Graduate Program of Genome Science and Technology (to O.A.). NR 15 TC 6 Z9 6 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 EI 1460-2059 J9 BIOINFORMATICS JI Bioinformatics PD MAY 1 PY 2015 VL 31 IS 9 BP 1475 EP 1477 DI 10.1093/bioinformatics/btu836 PG 3 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA CJ7HP UT WOS:000355665800021 PM 25527097 ER PT J AU Cervini-Silva, J Antonio-Nieto-Camacho Ramirez-Apan, MT Gomez-Vidales, V Palacios, E Montoya, A de Jesus, ER AF Cervini-Silva, Javiera Antonio-Nieto-Camacho Teresa Ramirez-Apan, Maria Gomez-Vidales, Virginia Palacios, Eduardo Montoya, Ascencion Ronquillo de Jesus, Elba TI Anti-inflammatory, anti-bacterial, and cytotoxic activity of fibrous clays SO COLLOIDS AND SURFACES B-BIOINTERFACES LA English DT Article DE Early anti-inflammatory response; Frequency of inversion sites; Silanol groups ID TRIBOLIUM-CASTANEUM; POWDER DIFFRACTION; MOUSE EAR; MAYA BLUE; SEPIOLITE; PALYGORSKITE; EFFICACY; HALLOYSITE; AGENTS; INDIGO AB Produced worldwide at 1.2 m tons per year, fibrous clays are used in the production of pet litter, animal feed stuff to roof parcels, construction and rheological additives, and other applications needing to replace long-fiber length asbestos. To the authors' knowledge, however, information on the beneficial effects of fibrous clays on health remains scarce. This paper reports on the anti-inflammatory, antibacterial, and cytotoxic activity by sepiolite (Vallecas, Spain) and palygorskite (Torrejon El Rubio, Spain). The anti-inflammatory activity was determined using the 12-O-tetradecanoylphorbol-13-acetate (TPA) and myeloperoxidase (MPO) methods. Histological cuts were obtained for quantifying leukocytes found in the epidermis. Palygorkite and sepiolite caused edema inhibition and migration of neutrophils ca. 68.64 and 45.54%, and 80 and 65%, respectively. Fibrous clays yielded high rates of infiltration, explained by cleavage of polysomes and exposure of silanol groups. Also, fibrous clays showed high inhibition of myeloperoxidase contents shortly after exposure, but decreased sharply afterwards. In contrast, tubular clays caused an increasing inhibition of myeloperoxidase with time. Thus, clay structure restricted the kinetics and mechanism of myeloperoxidase inhibition. Fibrous clays were screened in vitro against human cancer cell lines. Cytotoxicity was determined using the protein-binding dye sulforhodamine B (SRB). Exposing cancer human cells to sepiolite or palygorskite showed growth inhibition varying with cell line. This study shows that fibrous clays served as an effective anti-inflammatory, limited by chemical transfer and cellular-level signals responding exclusively to an early exposure to clay, and cell viability decreasing significantly only after exposure to high concentrations of sepiolite. (C) 2015 Elsevier B.V. All rights reserved. C1 [Cervini-Silva, Javiera; Ronquillo de Jesus, Elba] Univ Autonoma Metropolitana, Dept Proc & Tecnol, Unidad Cuajimalpa, Mexico City 05348, DF, Mexico. [Cervini-Silva, Javiera] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Cervini-Silva, Javiera] NASA, Astrobiol Inst, Mountain View, CA USA. [Antonio-Nieto-Camacho; Teresa Ramirez-Apan, Maria] Univ Nacl Autonoma Mexico, Inst Quim, Lab Pruebas Biol, Mexico City 04510, DF, Mexico. [Gomez-Vidales, Virginia] Univ Nacl Autonoma Mexico, Inst Quim, Lab Resonancia Paramagnet Elect, Mexico City 04510, DF, Mexico. [Palacios, Eduardo; Montoya, Ascencion] Inst Mexicano Petr, Direcc Invest & Posgrad, Ciuadad Mexico, DF, Mexico. RP Cervini-Silva, J (reprint author), Univ Autonoma Metropolitana, Dept Proc & Tecnol, Unidad Cuajimalpa, Av Vasco de Quiroga 4871, Mexico City 05348, DF, Mexico. EM jcervini@correo.cua.uam.mx FU Universidad Autonoma Metropolitana Unidad Cuajimalpa [33678] FX The authors thank Maria del Rocio Galindo Ortega and Carolina Lopez Pacheco (UAM-Cuajimalpa), and Daniela Rodriguez Montano (Unidad de Histologia, Instituto de Fisiologia Celular, UNAM) for technical assistance; and Drs. Georgios D. Chyssikos (Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Athens, 11635, Greece), Vassilis Gionis (Institute of Materials Science, N.C.S.R. "Demokritos", 15310, Aghia Paraskevi, Attiki, Greece); and Stephan Kaufhold (BGR Bundensansaltfur Geowissenschaften und Rohstoffe, Hannover, Germany) for providing insightful comments during the preparation of this manuscript. This project was supported in part by Universidad Autonoma Metropolitana Unidad Cuajimalpa (Grant No. 33678). NR 35 TC 9 Z9 9 U1 7 U2 36 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-7765 EI 1873-4367 J9 COLLOID SURFACE B JI Colloid Surf. B-Biointerfaces PD MAY 1 PY 2015 VL 129 BP 1 EP 6 DI 10.1016/j.colsurfb.2015.03.019 PG 6 WC Biophysics; Chemistry, Physical; Materials Science, Biomaterials SC Biophysics; Chemistry; Materials Science GA CJ3AQ UT WOS:000355356200001 PM 25819359 ER PT J AU Romero, N Nozick, LK Dobson, I Xu, NX Jones, DA AF Romero, Natalia Nozick, Linda K. Dobson, Ian Xu, Ningxiong Jones, Dean A. TI Seismic Retrofit for Electric Power Systems SO EARTHQUAKE SPECTRA LA English DT Article ID EASTERN NORTH-AMERICA; GROUND-MOTION PREDICTION; STRATEGY AB This paper develops a two-stage stochastic program and solution procedure to optimize the selection of seismic retrofit strategies to increase the resilience of electric power systems against earthquake hazards. The model explicitly considers the range of earthquake events that are possible and, for each, an approximation of the distribution of damage experienced. This is important because electric power systems are spatially distributed and so their performance is driven by the distribution of component damage. We test this solution procedure against the nonlinear integer solver in LINGO 13 and apply the formulation and solution strategy to the Eastern Interconnection, where seismic hazard stems from the New Madrid seismic zone. C1 [Romero, Natalia; Nozick, Linda K.; Xu, Ningxiong] Cornell Univ, Sch Civil & Environm Engn, Ithaca, NY 14853 USA. [Dobson, Ian] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA USA. [Jones, Dean A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Romero, N (reprint author), Cornell Univ, Sch Civil & Environm Engn, Ithaca, NY 14853 USA. OI Dobson, Ian/0000-0001-7018-5475 FU DOE [DE-SC0002283] FX Ian Dobson gratefully acknowledges funding in part from DOE grant DE-SC0002283. NR 28 TC 2 Z9 2 U1 1 U2 4 PU EARTHQUAKE ENGINEERING RESEARCH INST PI OAKLAND PA 499 14TH ST, STE 320, OAKLAND, CA 94612-1934 USA SN 8755-2930 EI 1944-8201 J9 EARTHQ SPECTRA JI Earthq. Spectra PD MAY PY 2015 VL 31 IS 2 BP 1157 EP 1176 DI 10.1193/052112EQS193M PG 20 WC Engineering, Civil; Engineering, Geological SC Engineering GA CJ6AS UT WOS:000355576000024 ER PT J AU McGraw, G Camp, LJ AF McGraw, Gary Camp, L. Jean TI Silver Bullet Talks with L. Jean Camp SO IEEE SECURITY & PRIVACY LA English DT Editorial Material DE Interviews; Privacy; Computer security; Security; Cloud computing; Informatics; security; Silver Bullet; technical trust mechanisms; L; Jean Camp; Indiana University; economics C1 [McGraw, Gary] Cigital, Dulles, VA 20166 USA. [Camp, L. Jean] Indiana Univ, Sch Informat & Comp, Bloomington, IN 47405 USA. [Camp, L. Jean] US DOE, Sandia Natl Labs, Washington, DC 20585 USA. [Camp, L. Jean] Harvard Univ, John F Kennedy Sch Govt, Cambridge, MA 02138 USA. RP McGraw, G (reprint author), Cigital, Dulles, VA 20166 USA. EM gem@cigital.com NR 0 TC 0 Z9 0 U1 1 U2 2 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1540-7993 EI 1558-4046 J9 IEEE SECUR PRIV JI IEEE Secur. Priv. PD MAY-JUN PY 2015 VL 13 IS 3 BP 5 EP 7 DI 10.1109/MSP.2015.55 PG 3 WC Computer Science, Information Systems; Computer Science, Software Engineering SC Computer Science GA CK1XI UT WOS:000356002100002 ER PT J AU Futscher, BW Munoz-Rodriguez, JL Stampfer, MR Vrba, L AF Futscher, Bernard W. Munoz-Rodriguez, Jose L. Stampfer, Martha R. Vrba, Lukas TI Frequent Aberrant DNA Methylation of miRNA Gene Promoters in Human Breast Cancer SO IN VITRO CELLULAR & DEVELOPMENTAL BIOLOGY-ANIMAL LA English DT Meeting Abstract C1 [Futscher, Bernard W.; Munoz-Rodriguez, Jose L.; Stampfer, Martha R.; Vrba, Lukas] Univ Arizona, Coll Pharm, Arizona Canc Ctr, Tucson, AZ 85721 USA. [Futscher, Bernard W.; Munoz-Rodriguez, Jose L.] Univ Arizona, Coll Pharm, Dept Pharmacol & Toxicol, Tucson, AZ 85721 USA. [Stampfer, Martha R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. EM bfutscher@azcc.arizona.edu RI Vrba, Lukas/J-9268-2015 OI Vrba, Lukas/0000-0003-3042-6275 NR 0 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1071-2690 EI 1543-706X J9 IN VITRO CELL DEV-AN JI In Vitro Cell. Dev. Biol.-Anim. PD MAY PY 2015 VL 51 SU 1 MA A-9 BP S8 EP S8 PG 1 WC Cell Biology; Developmental Biology SC Cell Biology; Developmental Biology GA CJ6HF UT WOS:000355594000018 ER PT J AU Mondy, L Mrozek, R Rao, R Lenhart, J Bieg, L Spangler, S Stavig, M Schroeder, J Winter, M Diantonio, C Collins, R AF Mondy, L. Mrozek, R. Rao, R. Lenhart, J. Bieg, L. Spangler, S. Stavig, M. Schroeder, J. Winter, M. Diantonio, C. Collins, R. TI Multilayer Coextrusion of Polymer Composites to Develop Organic Capacitors SO INTERNATIONAL POLYMER PROCESSING LA English DT Article ID MOLTEN POLYMERS; FLOW; CONDUCTIVITY; INSTABILITIES; SUSPENSIONS; STABILITY; EXTRUSION; MECHANISM; VISCOSITY; LAYERS AB Multilayer coextrusion is applied to produce a tape containing layers of alternating electrical properties to demonstrate the potential for using coextrusion to manufacture capacitors. To obtain the desired properties, we develop two filled polymer systems, one for conductive layers and one for dielectric layers. We describe numerical models used to help determine the material and processing parameters that impact processing and layer stability. These models help quantify the critical ratios of densities and viscosities of the two layers to maintain stable layers, as well as the effect of increasing the flow rate of one of the two materials. The conducting polymer is based on polystyrene filled with a blend of low-melting-point eutectic metal and nickel particulate filler, as described by Mrozek et al. (2010). The appropriate concentrations of fillers are determined by balancing measured conductivity with processability in a twin screw extruder. Based on results of the numerical models and estimates of the viscosity of emulsions and suspensions, a dielectric layer composed of polystyrene filled with barium titanate is formulated. Despite the fact that the density of the dielectric filler is less than the metallic filler of the conductive phase, as well as rheological measurements that later showed that the dielectric formulation is not an ideal match to the viscosity of the conductive material, the two materials can be successfully coextruded if the flow rates of the two materials are not identical. A measurable capacitance of the layered structure is obtained. C1 [Mondy, L.; Rao, R.; Bieg, L.; Spangler, S.; Stavig, M.; Schroeder, J.; Winter, M.; Diantonio, C.; Collins, R.] Sandia Natl Labs, Albuquerque, NM 87122 USA. [Mrozek, R.; Lenhart, J.] US Army Res Lab, Aberdeen, MD USA. RP Mondy, L (reprint author), Sandia Natl Labs, Albuquerque, NM 87122 USA. EM lamondy@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 Thanks go to Adam Lester for dielectric measurements. Phil Cole and his graduate work at the University of Minnesota were the inspiration for the project. Thanks to Randy Schunk, Chris Pommer, Eric Vandre, Larry Musson and Scott Roberts for useful discussions on linear stability analysis. This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 48 TC 0 Z9 0 U1 1 U2 18 PU CARL HANSER VERLAG PI MUNICH PA KOLBERGERSTRASSE 22, POSTFACH 86 04 20, D-81679 MUNICH, GERMANY SN 0930-777X J9 INT POLYM PROC JI Int. Polym. Process. PD MAY PY 2015 VL 30 IS 2 BP 182 EP 193 DI 10.3139/217.2872 PG 12 WC Engineering, Chemical; Polymer Science SC Engineering; Polymer Science GA CK0XR UT WOS:000355929500001 ER PT J AU Krapivsky, PL Ben-Naim, E AF Krapivsky, P. L. Ben-Naim, E. TI Irreversible reactions and diffusive escape: stationary properties SO JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT LA English DT Article DE exact results; stochastic particle dynamics (theory); diffusion-limited aggregation (theory); fluctuations (theory) ID AGGREGATION ANNIHILATION PROCESSES; DIMENSIONAL POTTS-MODEL; RANDOM-WALKS; SYSTEMS; DYNAMICS; KINETICS; STATISTICS; EXPONENTS AB We study three basic diffusion-controlled reaction processes-annihilation, coalescence, and aggregation. We examine the evolution starting with the most natural inhomogeneous initial configuration where a half-line is uniformly filled by particles, while the complementary half-line is empty. We show that the total number of particles that infiltrate the initially empty half-line is finite and has a stationary distribution. We determine the evolution of the average density from which we derive the average total number N of particles in the initially empty half-line; e.g. for annihilation [N] = 3/16 + 1/4 pi. For the coalescence process, we devise a procedure that in principle allows one to compute P(N), the probability to find exactly N particles in the initially empty half-line; we complete the calculations in the first non-trivial case (N = 1). As a by-product we derive the distance distribution between the two leading particles. C1 [Krapivsky, P. L.] Boston Univ, Dept Phys, Boston, MA 02215 USA. [Ben-Naim, E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Ben-Naim, E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Krapivsky, PL (reprint author), Boston Univ, Dept Phys, Boston, MA 02215 USA. EM paulk@bu.edu RI Ben-Naim, Eli/C-7542-2009; Krapivsky, Pavel/A-4612-2014 OI Ben-Naim, Eli/0000-0002-2444-7304; FU US-DOE [DE-AC52-06NA25396] FX We acknowledge support from US-DOE grant DE-AC52-06NA25396 (EB). NR 53 TC 2 Z9 2 U1 1 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1742-5468 J9 J STAT MECH-THEORY E JI J. Stat. Mech.-Theory Exp. PD MAY PY 2015 AR P05003 DI 10.1088/1742-5468/2015/05/P05003 PG 20 WC Mechanics; Physics, Mathematical SC Mechanics; Physics GA CJ6FG UT WOS:000355588600003 ER PT J AU Kim, KH Tappero, R Bolotinikov, AE Hossain, A Yang, G James, RB Fochuk, P AF Kim, K. H. Tappero, R. Bolotinikov, A. E. Hossain, A. Yang, G. James, R. B. Fochuk, P. TI Long-term stability of ammonium-sulfide- and ammonium-fluoride-passivated CdMnTe detectors SO JOURNAL OF THE KOREAN PHYSICAL SOCIETY LA English DT Article DE CdMnTe; Passivation; Stability; Ammonium sulfide; Ammonium fluoride ID SURFACE PASSIVATION; CDZNTE; CRYSTALS AB We evaluated the long-term stability of CdMnTe (CMT) detectors treated with ammonium-saltbased passivants. Passivation improved the detector's stability and reduced the degradation of its energy resolution with time. Here, we stored passivated 5 x 5 x 9 mm(3) CMT detectors in an ambient environment for 550 days and evaluated the effects of aging by measuring their pulse-height spectra over time. The CMT detector passivated with ammonium fluoride exhibited a higher leakage current after 550 days, and its performance was degraded accordingly. Our analyses of the leakage current for a pixelated CMT detector revealed that the edges and the corners of the detector were responsible for the higher leakage, which resulted from a degradation of the passivation layer in those areas. Assurance of the long-term stability and reproducibility of the detector necessitates that the edges and the corners be mechanically passivated following chemical treatment. C1 [Kim, K. H.] Korea Univ, Dept Radiol Sci, Seoul 136703, South Korea. [Tappero, R.; Bolotinikov, A. E.; Hossain, A.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Fochuk, P.] Chernivtsi Natl Univ, UA-58012 Chernovtsy, Ukraine. RP Kim, KH (reprint author), Korea Univ, Dept Radiol Sci, Seoul 136703, South Korea. EM khkim1@korea.ac.kr RI Fochuk, Petro/D-9409-2016 OI Fochuk, Petro/0000-0002-4149-4882 FU Korea University [K1427221]; 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 (K1427221) and by the U.S. Department of Energy, Office of Defense Nuclear Nonproliferation Research and Development(DNN R&D). NR 13 TC 0 Z9 0 U1 3 U2 5 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 MAY PY 2015 VL 66 IS 10 BP 1532 EP 1536 DI 10.3938/jkps.66.1532 PG 5 WC Physics, Multidisciplinary SC Physics GA CJ8JW UT WOS:000355747300015 ER PT J AU Frye, CD Kucheyev, SO Edgar, JH Voss, LF Conway, AM Shao, QH Nikolic, RJ AF Frye, Clint D. Kucheyev, Sergei O. Edgar, James H. Voss, Lars F. Conway, Adam M. Shao, Qinghui Nikolic, Rebecca J. TI Sintered Cr/Pt and Ni/Au ohmic contacts to B12P2 SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A LA English DT Article ID P-TYPE GAN; BORON-RICH SOLIDS; ELECTRICAL-PROPERTIES; PHASE-DIAGRAM; GROWTH; PHOSPHIDE; FILMS; CRYSTALS; B12AS2; SYSTEM AB Icosahedral boron phosphide (B12P2) is a wide-bandgap semiconductor possessing interesting properties such as high hardness, chemical inertness, and the reported ability to self-heal from irradiation by high energy electrons. Here, the authors developed Cr/Pt and Ni/Au ohmic contacts to epitaxially grown B12P2 for materials characterization and electronic device development. Cr/Pt contacts became ohmic after annealing at 700 degrees C for 30 s with a specific contact resistance of 2 x 10(-4) Omega cm(2), as measured by the linear transfer length method. Ni/Au contacts were ohmic prior to any annealing, and their minimum specific contact resistance was similar to l-4 x 10(-4) Omega cm(2) after annealing over the temperature range of 500-800 degrees C. Rutherford backscattering spectrometry revealed a strong reaction and intermixing between Cr/Pt and B12P2 at 700 degrees C and a reaction layer between Ni and B12P2 thinner than similar to 25 nm at 500 degrees C. (C) 2015 American Vacuum Society. C1 [Frye, Clint D.; Kucheyev, Sergei O.; Voss, Lars F.; Conway, Adam M.; Shao, Qinghui; Nikolic, Rebecca J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Frye, Clint D.; Edgar, James H.] Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA. RP Frye, CD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM frye6@llnl.gov; nikolic1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344, LLNL-JRNL-666166]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0005156] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract Nos. DE-AC52-07NA27344 and LLNL-JRNL-666166. Material growth was supported by the U.S. Department of Energy, Office of Basic Energy Sciences under Award No. DE-SC0005156. NR 37 TC 0 Z9 0 U1 3 U2 12 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0734-2101 EI 1520-8559 J9 J VAC SCI TECHNOL A JI J. Vac. Sci. Technol. A PD MAY PY 2015 VL 33 IS 3 AR 031101 DI 10.1116/1.4917010 PG 6 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA CJ8HW UT WOS:000355741800002 ER PT J AU Mamun, MAA Elmustafa, AA Taus, R Forman, E Poelker, M AF Mamun, Md Abdullah A. Elmustafa, Abdelmageed A. Taus, Rhys Forman, Eric Poelker, Matthew TI TiN coated aluminum electrodes for DC high voltage electron guns SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A LA English DT Article ID WORK FUNCTION; INSTRUMENTED INDENTATION; VACUUM AB Preparing electrodes made of metals like stainless steel, for use inside DC high voltage electron guns, is a labor-intensive and time-consuming process. In this paper, the authors report the exceptional high voltage performance of aluminum electrodes coated with hard titanium nitride (TiN). The aluminum electrodes were comparatively easy to manufacture and required only hours of mechanical polishing using silicon carbide paper, prior to coating with TiN by a commercial vendor. The high voltage performance of three TiN-coated aluminum electrodes, before and after gas conditioning with helium, was compared to that of bare aluminum electrodes, and electrodes manufactured from titanium alloy (Ti-6Al-4V). Following gas conditioning, each TiN-coated aluminum electrode reached -225 kV bias voltage while generating less than 100 pA of field emission (<10 pA) using a 40mm cathode/anode gap, corresponding to field strength of 13.7 MV/m. Smaller gaps were studied to evaluate electrode performance at higher field strength with the best performing TiN-coated aluminum electrode reaching similar to 22.5 MV/m with field emission less than 100 pA. These results were comparable to those obtained from our best-performing electrodes manufactured from stainless steel, titanium alloy and niobium, as reported in references cited below. The TiN coating provided a very smooth surface and with mechanical properties of the coating (hardness and modulus) superior to those of stainless steel, titanium-alloy, and niobium electrodes. These features likely contributed to the improved high voltage performance of the TiN-coated aluminum electrodes. (C) 2015 American Vacuum Society. C1 [Mamun, Md Abdullah A.; Elmustafa, Abdelmageed A.] Old Dominion Univ, Dept Mech & Aerosp Engn, Norfolk, VA 23529 USA. [Mamun, Md Abdullah A.; Elmustafa, Abdelmageed A.] Thomas Jefferson Natl Accelerator Facil, Appl Res Ctr, Newport News, VA 23606 USA. [Taus, Rhys] Loyola Marymount Univ, Dept Phys, Los Angeles, CA 90045 USA. [Forman, Eric; Poelker, Matthew] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Mamun, MAA (reprint author), Old Dominion Univ, Dept Mech & Aerosp Engn, Norfolk, VA 23529 USA. EM aelmusta@odu.edu FU U.S. Department of Energy, Office of Science, and Office of Nuclear Physics [DE-AC05-06OR23177]; Jefferson Science Associates under U.S. DOE [DE-AC05-84ER40150]; DOE Office of High Energy Physics; Americas Region ILC RD Program FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, and Office of Nuclear Physics under Contract No. DE-AC05-06OR23177. This work is authored by Jefferson Science Associates under U.S. DOE Contract No. DE-AC05-84ER40150 and funded from the DOE Office of High Energy Physics and the Americas Region ILC R&D Program. The U.S. Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce this manuscript for U.S. Government purposes. NR 38 TC 0 Z9 0 U1 2 U2 12 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0734-2101 EI 1520-8559 J9 J VAC SCI TECHNOL A JI J. Vac. Sci. Technol. A PD MAY PY 2015 VL 33 IS 3 AR 031604 DI 10.1116/1.4916574 PG 10 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA CJ8HW UT WOS:000355741800030 ER PT J AU Nelson, AJ Grant, WK Stanford, JA Siekhaus, WJ Allen, PG McLean, W AF Nelson, Art J. Grant, William K. Stanford, Jeff A. Siekhaus, Wigbert J. Allen, Patrick G. McLean, William TI X-ray excited Auger transitions of Pu compounds SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A LA English DT Article ID PHOTOELECTRON-SPECTROSCOPY; PLUTONIUM; PHOTOEMISSION; PARAMETER; TRENDS; OXIDES; XPS AB X-ray excited Pu core-valence-valence and core-core-valence Auger line-shapes were used in combination with the Pu 4f photoelectron peaks to characterize differences in the oxidation state and local electronic structure for Pu compounds. The evolution of the Pu 4f core-level chemical shift as a function of sputtering depth profiling and hydrogen exposure at ambient temperature was quantified. The combination of the core-valence-valence Auger peak energies with the associated chemical shift of the Pu 4f photoelectron line defines the Auger parameter and results in a reliable method for definitively determining oxidation states independent of binding energy calibration. Results show that PuO2, Pu2O3, PuH2.7, and Pu have definitive Auger line-shapes. These data were used to produce a chemical state (Wagner) plot for select plutonium oxides. This Wagner plot allowed us to distinguish between the trivalent hydride and the trivalent oxide, which cannot be differentiated by the Pu 4f binding energy alone. C1 [Nelson, Art J.; Grant, William K.; Stanford, Jeff A.; Siekhaus, Wigbert J.; Allen, Patrick G.; McLean, William] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. RP Nelson, AJ (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, POB 808, Livermore, CA 94550 USA. EM nelson63@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 No. DE-AC52-07NA27344. NR 17 TC 1 Z9 1 U1 2 U2 22 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0734-2101 EI 1520-8559 J9 J VAC SCI TECHNOL A JI J. Vac. Sci. Technol. A PD MAY PY 2015 VL 33 IS 3 AR 031401 DI 10.1116/1.4913886 PG 4 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA CJ8HW UT WOS:000355741800010 ER PT J AU Tobin, JG Booth, CH Siekhaus, W Shuh, DK AF Tobin, J. G. Booth, C. H. Siekhaus, W. Shuh, D. K. TI EXAFS investigation of UF4 SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A LA English DT Article ID ABSORPTION FINE-STRUCTURE; PLUTONIUM INTERMETALLICS; 5F ORBITALS; URANIUM; SPECTROSCOPY; SPECTRA C1 [Tobin, J. G.; Siekhaus, W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Booth, C. H.; Shuh, D. K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Tobin, JG (reprint author), LBNL, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. EM tobin1@llnl.gov RI Tobin, James/O-6953-2015 FU Office of Science, Office of Basic Energy Sciences (OBES), Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy, National Nuclear Security Administration [DE-AC52-07NA27344] FX Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract No. DE-AC52-07NA27344. Work at Lawrence Berkeley National Laboratory (C.H.B. and D.K.S.) was supported by the Director, Office of Science, Office of Basic Energy Sciences (OBES), Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The XANES and EXAFS data were collected at BL-11-2 at SSRL. The Stanford Synchrotron Radiation Lightsource is a national user facility operated by Stanford University on behalf of the DOE, Office of Basic Energy Sciences. The UF4 sample was originally prepared at Oak Ridge National Laboratory and provided to LLNL by J. S. Morrell of Y12.4 The images in Fig. 1 are from Wikipedia, specifically File: Kristallstruktur Uran(IV)-fluorid. png and Cadmium at en. wikipedia. JGT wishes to thank (1) Glenn Fox and the PRT Program at LLNL for support during his sabbatical at LBNL; (2) D.K.S. for his hosting of the sabbatical at GTSC/LBNL; and (3) C.H.B. for the opportunity to learn new hard x-ray skills and collect data in the middle of the night again. The authors thank Eric D. Bauer and Mark T. Paffett of LANL for making the UO2 sample available to us. NR 29 TC 3 Z9 3 U1 2 U2 23 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0734-2101 EI 1520-8559 J9 J VAC SCI TECHNOL A JI J. Vac. Sci. Technol. A PD MAY PY 2015 VL 33 IS 3 AR 033001 DI 10.1116/1.4915893 PG 5 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA CJ8HW UT WOS:000355741800032 ER PT J AU Jaing, CJ Thissen, JB Gardner, SN McLoughlin, KS Hullinger, PJ Monday, NA Niederwerder, MC Rowland, RRR AF Jaing, Crystal J. Thissen, James B. Gardner, Shea N. McLoughlin, Kevin S. Hullinger, Pam J. Monday, Nicholas A. Niederwerder, Megan C. Rowland, Raymond R. R. TI Application of a pathogen microarray for the analysis of viruses and bacteria in clinical diagnostic samples from pigs SO JOURNAL OF VETERINARY DIAGNOSTIC INVESTIGATION LA English DT Article DE Bacteria; diagnostics; disease; microarray; microbial; pathogen; pigs; virus ID RESPIRATORY-SYNDROME-VIRUS; PORCINE CIRCOVIRUS TYPE-2; ORAL FLUID SPECIMENS; INFLUENZA-A VIRUS; UNITED-STATES; DISEASE; SWINE; INFECTION; SURVEILLANCE; PROBABILITY AB Many of the disease syndromes challenging the commercial swine industry involve the analysis of complex problems caused by polymicrobial, emerging or reemerging, and transboundary pathogens. This study investigated the utility of the Lawrence Livermore Microbial Detection Array (Lawrence Livermore National Laboratory, Livermore, California), designed to detect 8,101 species of microbes, in the evaluation of known and unknown microbes in serum, oral fluid, and tonsil from pigs experimentally coinfected with Porcine reproductive and respiratory syndrome virus (PRRSV) and Porcine circovirus-2 (PCV-2). The array easily identified PRRSV and PCV-2, but at decreased sensitivities compared to standard polymerase chain reaction detection methods. The oral fluid sample was the most informative, possessing additional signatures for several swine-associated bacteria, including Streptococcus sp., Clostridium sp., and Staphylococcus sp. C1 [Jaing, Crystal J.; Thissen, James B.; Hullinger, Pam J.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. [Gardner, Shea N.; McLoughlin, Kevin S.] Lawrence Livermore Natl Lab, Computat Directorate, Livermore, CA 94551 USA. [Monday, Nicholas A.; Niederwerder, Megan C.; Rowland, Raymond R. R.] Kansas State Univ, Dept Diagnost Med & Pathobiol, Manhattan, KS 66506 USA. RP Jaing, CJ (reprint author), Lawrence Livermore Natl Lab, POB 808,Mailstop L-452, Livermore, CA 94551 USA. EM jaing2@llnl.gov FU Lawrence Livermore Laboratory Derived Research and Development effort [14ERD081]; United States Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; State of Kansas National Bio and Agro-Defense Facility Fund; USDA NIFA [2013-68004-20362] FX The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: This research was partially supported by the Lawrence Livermore Laboratory Derived Research and Development effort (14ERD081). This study was performed under the auspices of the United States Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This research was partially supported by the State of Kansas National Bio and Agro-Defense Facility Fund and USDA NIFA Award 2013-68004-20362, Genetically Improving Resistance of Pigs to PRRS Virus Infections. NR 33 TC 4 Z9 4 U1 4 U2 7 PU SAGE PUBLICATIONS INC PI THOUSAND OAKS PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA SN 1040-6387 EI 1943-4936 J9 J VET DIAGN INVEST JI J. Vet. Diagn. Invest. PD MAY PY 2015 VL 27 IS 3 BP 313 EP 325 DI 10.1177/1040638715578484 PG 13 WC Veterinary Sciences SC Veterinary Sciences GA CJ7RH UT WOS:000355695500007 PM 25855363 ER PT J AU Nemmen, RS Tchekhovskoy, A AF Nemmen, Rodrigo S. Tchekhovskoy, Alexander TI On the efficiency of jet production in radio galaxies SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE accretion, accretion discs; black hole physics; galaxies: active; galaxies: jets; X-rays: galaxies ID ACTIVE GALACTIC NUCLEI; BLACK-HOLE SPIN; RADIATIVELY INEFFICIENT ACCRETION; ADVECTION-DOMINATED ACCRETION; BLANDFORD-ZNAJEK PROCESS; RELATIVISTIC JETS; SAGITTARIUS-A; ELECTROMAGNETIC EXTRACTION; OBSERVATIONAL CONSTRAINTS; NUMERICAL SIMULATIONS AB The mechanisms that produce and power relativistic jets are fundamental open questions in black hole (BH) astrophysics. In order to constrain these mechanisms, we analyse the energy efficiency of jet production eta based on archival Chandra observations of 27 nearby, low-luminosity active galactic nuclei. We obtain eta as the ratio of the jet power, inferred from the energetics of jet powered X-ray emitting cavities, to the BH mass accretion rate. (M) over dot(BH). The standard assumption in estimating (M) over dot(BH) is that all the gas from the Bondi radius r(B) makes it down to the BH. It is now clear, however, that only a small fraction of the gas reaches the hole. To account for this effect, we use the standard disc mass-loss scaling, (M) over dot (r) alpha (r/r(B))(s) (M) over dot(Bondi). This leads to much lower values of (M) over dot(BH) and higher values of eta than in previous studies. If hot accretion flows are characterized by 0.5 <= s <= 0.6 - on the lower end of recent theoretical and observational studies - then dynamically important magnetic fields near rapidly spinning BHs are necessary to account for the high eta approximate to 100-300 per cent in the sample. Moreover, values of s > 0.6 are essentially ruled out, or there would be insufficient energy to power the jets. We discuss the implications of our results for the distribution of massive BH spins and the possible impact of a significant extra cold gas supply on our estimates. C1 [Nemmen, Rodrigo S.] Univ Sao Paulo, Inst Astron Geofis & Ciencias Atmosfer, BR-05508090 Sao Paulo, SP, Brazil. [Nemmen, Rodrigo S.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Nemmen, Rodrigo S.] Univ Maryland Baltimore Cty, Dept Phys, Baltimore, MD 21250 USA. [Nemmen, Rodrigo S.] Univ Maryland Baltimore Cty, CRESST, Baltimore, MD 21250 USA. [Tchekhovskoy, Alexander] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Tchekhovskoy, Alexander] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Tchekhovskoy, Alexander] Univ Calif Berkeley, Theoret Astrophys Ctr, Berkeley, CA 94720 USA. RP Nemmen, RS (reprint author), Univ Sao Paulo, Inst Astron Geofis & Ciencias Atmosfer, BR-05508090 Sao Paulo, SP, Brazil. EM rodrigo.nemmen@iag.usp.br FU NASA Postdoctoral Program (NPP) at Goddard Space Flight Center; NASA [NNH10ZDA001N, NAS8-03060]; FAPESP; NASA through Einstein Postdoctoral Fellowship - Chandra X-ray Center [PF3-140115] FX We acknowledge useful discussions with Mihoko Yukita, Ka-Wah Wong, Aleksander Sadowski, Helen Russell, Jonathan C. McKinney, Jeremy Schnittman, Markos Georganopoulos, Ramesh Narayan, Jeff McClintock, Feng Yuan and Sylvain Guiriec. RSN was partially supported by the NASA Postdoctoral Program (NPP) at Goddard Space Flight Center, administered by Oak Ridge Associated Universities with NASA, as well as the NASA grant NNH10ZDA001N and FAPESP. AT was supported by NASA through Einstein Postdoctoral Fellowship grant number PF3-140115 awarded by the Chandra X-ray Center, which is operated by the Smithsonian Astrophysical Observatory for NASA under contract NAS8-03060, and NASA support via High-End Computing (HEC) Program through the NASA Advanced Super-computing (NAS) Division at Ames Research Center that provided access to the Pleiades supercomputer, as well as NSF support through an XSEDE computational time allocation TG-AST100040 on NICS Kraken, Nautilus, TACC Stampede, Maverick and Ranch. This project made considerable use of IPYTHON (Perez & Granger 2007) and the ASTROPY and MCERP libraries. NR 114 TC 6 Z9 6 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY 1 PY 2015 VL 449 IS 1 BP 316 EP 327 DI 10.1093/mnras/stv260 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CJ2WO UT WOS:000355345600024 ER PT J AU Fernandez, R Quataert, E Schwab, J Kasen, D Rosswog, S AF Fernandez, Rodrigo Quataert, Eliot Schwab, Josiah Kasen, Daniel Rosswog, Stephan TI The interplay of disc wind and dynamical ejecta in the aftermath of neutron star-black hole mergers SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE accretion, accretion discs; dense matter; gravitational waves; hydrodynamics; neutrinos; nuclear reactions, nucleosynthesis, abundances ID GAMMA-RAY BURSTS; COMPACT OBJECT MERGERS; R-PROCESS NUCLEOSYNTHESIS; CORE-COLLAPSE SUPERNOVAE; COOLED ACCRETION DISKS; EQUATION-OF-STATE; BINARY MERGERS; FALLBACK ACCRETION; MASS-DISTRIBUTION; DRIVEN WINDS AB We explore the evolution of the different ejecta components generated during the merger of a neutron star and a black hole. Our focus is the interplay between material ejected dynamically during the merger, and the wind launched on a viscous time-scale by the remnant accretion disc. These components are expected to contribute to an electromagnetic transient and to produce r-process elements, each with a different signature when considered separately. Here we introduce a two-step approach to investigate their combined evolution, using two-and three-dimensional hydrodynamic simulations. Starting from the output of a merger simulation, we identify each component in the initial condition based on its phase-space distribution, and evolve the accretion disc in axisymmetry. The wind blown from this disc is injected into a three-dimensional computational domain where the dynamical ejecta is evolved. We find that the wind can suppress fallback accretion on time-scales longer than similar to 100 ms. Because of self-similar viscous evolution, the disc accretion at late times nevertheless approaches a power-law time dependence alpha t(-2.2). This can power some late-time gamma-ray burst engine activity, although the available energy is significantly less than in traditional fallback models. Inclusion of radioactive heating due to the r-process does not significantly affect the fallback accretion rate or the disc wind. We do not find any significant modification to the wind properties at large radius due to interaction with the dynamical ejecta. This is a consequence of the different expansion velocities of the two components. C1 [Fernandez, Rodrigo; Schwab, Josiah; Kasen, Daniel] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Fernandez, Rodrigo; Quataert, Eliot; Schwab, Josiah] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Fernandez, Rodrigo; Quataert, Eliot; Schwab, Josiah] Univ Calif Berkeley, Theoret Astrophys Ctr, Berkeley, CA 94720 USA. [Kasen, Daniel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Rosswog, Stephan] Stockholm Univ, Dept Astron, Oskar Klein Ctr, SE-10691 Stockholm, Sweden. RP Fernandez, R (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM rafernan@berkeley.edu FU University of California Office of the President; NSF [AST-1206097]; David and Lucile Packard Foundation; Simons Investigator Award from the Simons Foundation; National Science Foundation Graduate Research Fellowship Program [DGE 1106400]; Department of Energy Office of Nuclear Physics Early Career Award; Office of Energy Research, Office of High Energy and Nuclear Physics, Divisions of Nuclear Physics, of the US Department of Energy [DE-AC02-05CH11231]; Deutsche Forschungsgemeinschaft (DFG) [RO-3399, AOBJ-584282]; Swedish Research Council (VR) [621-2012-4870]; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX We thank Brian Metzger, Frank Timmes, and the anonymous referee for constructive comments that improved the paper. RF acknowledges support from the University of California Office of the President, and from NSF grant AST-1206097. EQ was supported by NSF grant AST-1206097, the David and Lucile Packard Foundation, and a Simons Investigator Award from the Simons Foundation. JS is supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. DGE 1106400. DK was supported in part by a Department of Energy Office of Nuclear Physics Early Career Award, and by the Director, Office of Energy Research, Office of High Energy and Nuclear Physics, Divisions of Nuclear Physics, of the US Department of Energy under Contract No. DE-AC02-05CH11231. SR was supported by the Deutsche Forschungsgemeinschaft (DFG) under grant RO-3399, AOBJ-584282 and by the Swedish Research Council (VR) under grant 621-2012-4870. The software used in this work was in part developed by the DOE NNSA-ASC OASCR Flash Center at the University of Chicago. This research used resources of 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. Computations were performed at Carver and Hopper (repos m1186, m1896, and m2058). NR 58 TC 16 Z9 16 U1 1 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY 1 PY 2015 VL 449 IS 1 BP 390 EP 402 DI 10.1093/mnras/stv238 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CJ2WO UT WOS:000355345600028 ER PT J AU Balbinot, E Santiago, BX Girardi, L Pieres, A da Costa, LN Maia, MAG Gruendl, RA Walker, AR Yanny, B Drlica-Wagner, A Benoit-Levy, A Abbott, TMC Allam, SS Annis, J Bernstein, JP Bernstein, RA Bertin, E Brooks, D Buckley-Geer, E Rosell, AC Cunha, CE Depoy, DL Desai, S Diehl, HT Doel, P Estrada, J Evrard, AE Neto, AF Finley, DA Flaugher, B Frieman, JA Gruen, D Honscheid, K James, D Kuehn, K Kuropatkin, N Lahav, O March, M Marshall, JL Miller, C Miquel, R Ogando, R Peoples, J Plazas, A Scarpine, V Schubnell, M Sevilla-Noarbe, I Smith, RC Soares-Santos, M Suchyta, E Swanson, MEC Tarle, G Tucker, DL Wechsler, R Zuntz, J AF Balbinot, Eduardo Santiago, B. X. Girardi, L. Pieres, A. da Costa, L. N. Maia, M. A. G. Gruendl, R. A. Walker, A. R. Yanny, B. Drlica-Wagner, A. Benoit-Levy, A. Abbott, T. M. C. Allam, S. S. Annis, J. Bernstein, J. P. Bernstein, R. A. Bertin, E. Brooks, D. Buckley-Geer, E. Rosell, A. Carnero Cunha, C. E. Depoy, D. L. Desai, S. Diehl, H. T. Doel, P. Estrada, J. Evrard, A. E. Fausti Neto, A. Finley, D. A. Flaugher, B. Frieman, J. A. Gruen, D. Honscheid, K. James, D. Kuehn, K. Kuropatkin, N. Lahav, O. March, M. Marshall, J. L. Miller, C. Miquel, R. Ogando, R. Peoples, J. Plazas, A. Scarpine, V. Schubnell, M. Sevilla-Noarbe, I. Smith, R. C. Soares-Santos, M. Suchyta, E. Swanson, M. E. C. Tarle, G. Tucker, D. L. Wechsler, R. Zuntz, J. TI The LMC geometry and outer stellar populations from early DES data SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE stars: statistics; Magellanic Clouds; galaxies: stellar content ID LARGE-MAGELLANIC-CLOUD; STAR-FORMATION HISTORY; DARK ENERGY SURVEY; ALL-SKY SURVEY; LOCAL GROUP; DWARF GALAXIES; MASS FUNCTION; WIDE-FIELD; MILKY-WAY; DISK AB The Dark Energy Camera has captured a large set of images as part of Science Verification (SV) for the Dark Energy Survey (DES). The SV footprint covers a large portion of the outer Large Magellanic Cloud (LMC), providing photometry 1.5 mag fainter than the main sequence turn-off of the oldest LMC stellar population. We derive geometrical and structural parameters for various stellar populations in the LMC disc. For the distribution of all LMC stars, we find an inclination of i = -38 degrees.14 +/- 0 degrees.08 (near side in the north) and a position angle for the line of nodes of theta(0) = 129 degrees.51 +/- 0 degrees.17. We find that stars younger than similar to 4 Gyr are more centrally concentrated than older stars. Fitting a projected exponential disc shows that the scale radius of the old populations is R->4Gyr = 1.41 +/- 0.01 kpc, while the younger population has R-<4Gyr = 0.72 +/- 0.01 kpc. However, the spatial distribution of the younger population deviates significantly from the projected exponential disc model. The distribution of old stars suggests a large truncation radius of R-t = 13.5 +/- 0.8 kpc. If this truncation is dominated by the tidal field of the Galaxy, we find that the LMC is similar or equal to 24(-6)(+9) times less massive than the encircled Galactic mass. By measuring the Red Clump peak magnitude and comparing with the best-fitting LMC disc model, we find that the LMC disc is warped and thicker in the outer regions north of the LMC centre. Our findings may either be interpreted as a warped and flared disc in the LMC outskirts, or as evidence of a spheroidal halo component. C1 [Balbinot, Eduardo] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Balbinot, Eduardo; Santiago, B. X.; Pieres, A.] Univ Fed Rio Grande do Sul, Dept Astron, BR-91501970 Porto Alegre, RS, Brazil. [Balbinot, Eduardo; Santiago, B. X.; Pieres, A.; da Costa, L. N.; Maia, M. A. G.; Rosell, A. Carnero; Fausti Neto, A.; Ogando, R.] Lab Interinst & Astron LIneA, BR-20921400 Rio De Janeiro, RJ, Brazil. [Girardi, L.] Osservatorio Astron Padova INAF, I-35122 Padua, Italy. [da Costa, L. N.; Maia, M. A. G.; Rosell, A. Carnero; Ogando, R.] Observ Nacl, BR-20921400 Rio De Janeiro, RJ, Brazil. [Gruendl, R. A.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [Gruendl, R. A.; Swanson, M. E. C.] Univ Illinois, Natl Ctr Supercomp Applicat, Urbana, IL 61801 USA. [Walker, A. R.; Abbott, T. M. C.; James, D.; Smith, R. C.] Natl Opt Astron Observ, Cerro Tololo Interamer Observ, La Serena, Chile. [Yanny, B.; Drlica-Wagner, A.; Allam, S. S.; Annis, J.; Buckley-Geer, E.; Diehl, H. T.; Estrada, J.; Finley, D. A.; Flaugher, B.; Frieman, J. A.; Kuropatkin, N.; Peoples, J.; Scarpine, V.; Soares-Santos, M.; Tucker, D. L.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Benoit-Levy, A.; Brooks, D.; Doel, P.; Lahav, O.] UCL, Dept Phys Astron, London WC1E 6BT, England. [Allam, S. S.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Bernstein, J. P.; Schubnell, M.] Argonne Natl Lab, Lemont, IL 60439 USA. [Bernstein, R. A.] Carnegie Observ, Pasadena, CA 91101 USA. [Bertin, E.; Evrard, A. E.] Univ Paris 06, Inst Astrophys Paris, F-75014 Paris, France. [Bertin, E.; Evrard, A. E.] CNRS, UMR7095, F-75014 Paris, France. [Cunha, C. E.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. [Depoy, D. L.; Marshall, J. L.] Texas A&M Univ, George P & Cynthia Woods Mitchell Inst Fundamenta, College Stn, TX 77843 USA. [Depoy, D. L.; Marshall, J. L.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. [Desai, S.; Gruen, D.] Univ Munich, Dept Phys, D-81679 Munich, Germany. [Desai, S.; Frieman, J. A.; Wechsler, R.] Excellence Cluster Universe, D-85748 Garching, Germany. [Evrard, A. E.; Miller, C.; Tarle, G.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Evrard, A. E.; Miller, C.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Gruen, D.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Honscheid, K.; Suchyta, E.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Kuehn, K.] Australian Astron Observ, N Ryde, NSW 2113, Australia. [March, M.] Univ Penn, Dept Phys & Astron, Ctr Particle Cosmol, Philadelphia, PA 19104 USA. [Miquel, R.] Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 Bellaterra, Barcelona, Spain. [Miquel, R.] Inst Catalana Recerca & Estudis Avancats, E-08010 Barcelona, Spain. [Plazas, A.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Sevilla-Noarbe, I.] Ctr Invest Energet Medioambientales Tecnol CIEMAT, E-28040 Madrid, Spain. [Wechsler, R.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Zuntz, J.] Univ Manchester, Jodrell Bank Ctr Astrophys, Manchester M13 9PL, Lancs, England. RP Balbinot, E (reprint author), Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. EM e.balbinot@surrey.ac.uk RI Ogando, Ricardo/A-1747-2010; Balbinot, Eduardo/E-8019-2015; OI Ogando, Ricardo/0000-0003-2120-1154; Suchyta, Eric/0000-0002-7047-9358; Balbinot, Eduardo/0000-0002-1322-3153; Evrard, August/0000-0002-4876-956X; Tucker, Douglas/0000-0001-7211-5729 FU US Department of Energy; US National Science Foundation; Ministry of Science and Education of Spain; Science and Technology Facilities Council of the United Kingdom; Higher Education Funding Council for England; National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign; Kavli Institute of Cosmological Physics at the University of Chicago; Financiadora de Estudos e Projetos; Fundacao Carlos Chagas Filho de Amparo a Pesquisa do Estado do Rio de Janeiro; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico; Ministerio da Ciencia e Tecnologia; Deutsche Forschungsgemeinschaft; Argonne National Laboratory; University of California at Santa Cruz; University of Cambridge; Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas-Madrid; University of Chicago; University College London; DES-Brazil Consortium; Eidgenossische Technische Hochschule (ETH) Zurich; Fermi National Accelerator Laboratory; University of Edinburgh; University of Illinois at Urbana-Champaign; Institut de Ciencies de l'Espai (IEEC/CSIC); Institut de Fisica d'Altes Energies; Lawrence Berkeley National Laboratory; Ludwig-Maximilians Universitat; associated Excellence Cluster Universe; University of Michigan; National Optical Astronomy Observatory; University of Nottingham; Ohio State University; University of Pennsylvania; University of Portsmouth; SLAC National Accelerator Laboratory, Stanford University; University of Sussex; Texas AM University; MINECO [AYA2009-13936, AYA2012-39559, AYA2012-39620, FPA2012-39684]; FEDER funds from European Union; Deutsche Forschungsgemeinschaft (DFG) [SFB-Transregio 33]; DFG cluster of excellence 'Origin and Structure of the Universe'; European Research Council [240672] FX Funding for the DES Projects has been provided by the US Department of Energy, the US National Science Foundation, the Ministry of Science and Education of Spain, the Science and Technology Facilities Council of the United Kingdom, the Higher Education Funding Council for England, the National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign, the Kavli Institute of Cosmological Physics at the University of Chicago, Financiadora de Estudos e Projetos, Fundacao Carlos Chagas Filho de Amparo a Pesquisa do Estado do Rio de Janeiro, Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and the Ministerio da Ciencia e Tecnologia, the Deutsche Forschungsgemeinschaft and the Collaborating Institutions in the Dark Energy Survey.; The Collaborating Institutions are Argonne National Laboratory, the University of California at Santa Cruz, the University of Cambridge, Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas-Madrid, the University of Chicago, University College London, the DES-Brazil Consortium, the Eidgenossische Technische Hochschule (ETH) Zurich, Fermi National Accelerator Laboratory, the University of Edinburgh, the University of Illinois at Urbana-Champaign, the Institut de Ciencies de l'Espai (IEEC/CSIC), the Institut de Fisica d'Altes Energies, Lawrence Berkeley National Laboratory, the Ludwig-Maximilians Universitat and the associated Excellence Cluster Universe, the University of Michigan, the National Optical Astronomy Observatory, the University of Nottingham, The Ohio State University, the University of Pennsylvania, the University of Portsmouth, SLAC National Accelerator Laboratory, Stanford University, the University of Sussex, and Texas A&M University.; The DES participants from Spanish institutions are partially supported by MINECO under grants AYA2009-13936, AYA2012-39559, AYA2012-39620, and FPA2012-39684, which include FEDER funds from the European Union.; DG was supported by SFB-Transregio 33 'The Dark Universe' by the Deutsche Forschungsgemeinschaft (DFG) and the DFG cluster of excellence 'Origin and Structure of the Universe'.; JZ acknowledges support from the European Research Council in the form of a Starting Grant with number 240672. NR 83 TC 15 Z9 15 U1 1 U2 9 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAY 1 PY 2015 VL 449 IS 1 BP 1129 EP 1145 DI 10.1093/mnras/stv356 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CJ2WO UT WOS:000355345600082 ER PT J AU Fluegel, B Mialitsin, AV Beaton, DA Reno, JL Mascarenhas, A AF Fluegel, Brian Mialitsin, Aleksej V. Beaton, Daniel A. Reno, John L. Mascarenhas, Angelo TI Electronic Raman scattering as an ultra-sensitive probe of strain effects in semiconductors SO NATURE COMMUNICATIONS LA English DT Article ID VALENCE-BAND; MICRO-RAMAN; GAAS; SILICON; TRANSITIONS; LAYERS AB Semiconductor strain engineering has become a critical feature of high-performance electronics because of the significant device performance enhancements that it enables. These improvements, which emerge from strain-induced modifications to the electronic band structure, necessitate new ultra-sensitive tools to probe the strain in semiconductors. Here, we demonstrate that minute amounts of strain in thin semiconductor epilayers can be measured using electronic Raman scattering. We applied this strain measurement technique to two different semiconductor alloy systems using coherently strained epitaxial thin films specifically designed to produce lattice-mismatch strains as small as 10(-4). Comparing our strain sensitivity and signal strength in AlxGa1-xAs with those obtained using the industry-standard technique of phonon Raman scattering, we found that there was a sensitivity improvement of 200-fold and a signal enhancement of 4 x 10(3), thus obviating key constraints in semiconductor strain metrology. C1 [Fluegel, Brian; Mialitsin, Aleksej V.; Beaton, Daniel A.; Mascarenhas, Angelo] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Reno, John L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87123 USA. RP Fluegel, B (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM Brian.Fluegel@nrel.gov; angelo.mascarenhas@nrel.gov FU U.S. Department of Energy Office of Science, Basic Energy Sciences [DE-AC36-08GO28308]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The work performed at NREL is supported by the U.S. Department of Energy Office of Science, Basic Energy Sciences under DE-AC36-08GO28308. This work was partially performed at the Center for Integrated Nanotechnologies, which is a user facility of the U.S. Department of Energy, Office of Basic Energy Sciences. Sandia National Laboratories is a multi-program laboratory that is managed and operated by Sandia Corporation, which is an entirely owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The dilute nitride samples were provided by A. Ptak as part of a previous BES project. NR 32 TC 3 Z9 3 U1 8 U2 24 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 MAY PY 2015 VL 6 AR 7136 DI 10.1038/ncomms8136 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CJ5MZ UT WOS:000355533300006 PM 26017853 ER PT J AU Mukhopadhyay, D Walko, DA Jung, IW Schwartz, CP Wang, J Lopez, D Shenoy, GK AF Mukhopadhyay, D. Walko, D. A. Jung, I. W. Schwartz, C. P. Wang, Jin Lopez, D. Shenoy, G. K. TI X-ray photonic microsystems for the manipulation of synchrotron light SO NATURE COMMUNICATIONS LA English DT Article ID LASER; MEMS; MICROSTRUCTURE; RESONATORS; SILICON AB Photonic microsystems played an essential role in the development of integrated photonic devices, thanks to their unique spatiotemporal control and spectral shaping capabilities. Similar capabilities to markedly control and manipulate X-ray radiation are highly desirable but practically impossible due to the massive size of the silicon single-crystal optics currently used. Here we show that micromechanical systems can be used as X-ray optics to create and preserve the spatial, temporal and spectral correlation of the X-rays. We demonstrate that, as X-ray reflective optics they can maintain the wavefront properties with nearly 100% reflectivity, and as a dynamic diffractive optics they can generate nanosecond time windows with over 100-kHz repetition rates. Since X-ray photonic microsystems can be easily incorporated into lab-based and next-generation synchrotron X-ray sources, they bring unprecedented design flexibility for future dynamic and miniature X-ray optics for focusing, wavefront manipulation, multicolour dispersion, and pulse slicing. C1 [Mukhopadhyay, D.; Jung, I. W.; Lopez, D.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Walko, D. A.; Schwartz, C. P.; Wang, Jin; Shenoy, G. K.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Lopez, D (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dlopez@anl.gov FU US Department of Energy, Basic Energy Sciences, Office of Science [DE-AC02-06CH11357] FX We thank Eric Isaacs for his encouragement and support throughout the project. Tao Sun and Deming Shu (APS) are gratefully acknowledged for their early participation of and contribution to the project. We are very grateful to John Freeland, and Martin Holt for their critical reading of the manuscript and invaluable suggestions to improve its content and clarity. Use of the Center for Nanoscale Materials (CNM) and Advanced Photon Source (APS) was supported by the US Department of Energy, Basic Energy Sciences, Office of Science, under Contract no. DE-AC02-06CH11357. NR 29 TC 1 Z9 1 U1 3 U2 9 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 MAY PY 2015 VL 6 AR 7057 DI 10.1038/ncomms8057 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CJ5ME UT WOS:000355530900008 PM 25940542 ER PT J AU Sentef, MA Claassen, M Kemper, AF Moritz, B Oka, T Freericks, JK Devereaux, TP AF Sentef, M. A. Claassen, M. Kemper, A. F. Moritz, B. Oka, T. Freericks, J. K. Devereaux, T. P. TI Theory of Floquet band formation and local pseudospin textures in pump-probe photoemission of graphene SO NATURE COMMUNICATIONS LA English DT Article ID HGTE QUANTUM-WELLS; TOPOLOGICAL INSULATORS; DIRAC POINTS; SPIN; REALIZATION; TRANSITION; LATTICE; MODEL AB Ultrafast materials science promises optical control of physical properties of solids. Continuous-wave circularly polarized laser driving was predicted to induce a light-matter coupled state with an energy gap and a quantum Hall effect, coined Floquet topological insulator. Whereas the envisioned Floquet topological insulator requires high-frequency pumping to obtain well-separated Floquet bands, a follow-up question regards the creation of Floquet-like states in graphene with realistic low-frequency laser pulses. Here we predict that short optical pulses attainable in experiments can lead to local spectral gaps and novel pseudospin textures in graphene. Pump-probe photoemission spectroscopy can track these states by measuring sizeable energy gaps and Floquet band formation on femtosecond time scales. Analysing band crossings and pseudospin textures near the Dirac points, we identify new states with optically induced nontrivial changes of sublattice mixing that leads to Berry curvature corrections of electrical transport and magnetization. C1 [Sentef, M. A.; Moritz, B.; Devereaux, T. P.] Stanford Univ, SIMES, Menlo Pk, CA 94025 USA. [Sentef, M. A.; Moritz, B.; Devereaux, T. P.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Sentef, M. A.] Univ Bonn, HISKP, D-53115 Bonn, Germany. [Claassen, M.; Devereaux, T. P.] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Kemper, A. F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Moritz, B.] Univ N Dakota, Dept Phys & Astrophys, Grand Forks, ND 58202 USA. [Oka, T.] Univ Tokyo, Dept Appl Phys, Tokyo 1138656, Japan. [Freericks, J. K.] Georgetown Univ, Dept Phys, Washington, DC 20057 USA. RP Sentef, MA (reprint author), Stanford Univ, SIMES, Menlo Pk, CA 94025 USA. EM michael.sentef@hiskp.uni-bonn.de; tpd@stanford.edu RI Moritz, Brian/D-7505-2015; Sentef, Michael/L-5717-2013; Kemper, Alexander/F-8243-2016; Oka, Takashi/C-4350-2011; OI Moritz, Brian/0000-0002-3747-8484; Sentef, Michael/0000-0002-7946-0282; Kemper, Alexander/0000-0002-5426-5181; Oka, Takashi/0000-0002-2235-6775; Freericks, James/0000-0002-6232-9165 FU Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-76SF00515, DE-FG02-08ER46542, DE-SC0007091]; Department of Energy, Office of Science [DE-AC02-05CH11231]; McDevitt bequest at Georgetown; Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy [DE-AC02-05CH11231] FX We acknowledge helpful discussions with Patrick Kirchmann, Sri Raghu, Xiao-Liang Qi, Shou-Cheng Zhang, and Bruce Normand. This work was supported by the Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract Nos. DE-AC02-76SF00515 (Stanford/SIMES), DE-FG02-08ER46542 (Georgetown) and DE-SC0007091 (for the collaboration). Computational resources were provided by the National Energy Research Scientific Computing Center supported by the Department of Energy, Office of Science, under Contract No. DE-AC02-05CH11231. J.K.F. was also supported by the McDevitt bequest at Georgetown. A.F.K. was supported by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy Contract No. DE-AC02-05CH11231. NR 43 TC 30 Z9 30 U1 8 U2 35 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 MAY PY 2015 VL 6 AR 7047 DI 10.1038/ncomms8047 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CJ5MC UT WOS:000355530700003 PM 25958840 ER PT J AU Song, WW Gatdula, R Abbaslou, S Lu, M Stein, A Lai, WYC Provine, J Pease, RFW Christodoulides, DN Jiang, W AF Song, Weiwei Gatdula, Robert Abbaslou, Siamak Lu, Ming Stein, Aaron Lai, Warren Y-C Provine, J. Pease, R. Fabian W. Christodoulides, Demetrios N. Jiang, Wei TI High-density waveguide superlattices with low crosstalk SO NATURE COMMUNICATIONS LA English DT Article ID OPTICAL PHASED-ARRAY; SILICON-ON-INSULATOR; PHOTONIC LATTICES; LIGHT; CHIP; LOCALIZATION; TRANSMISSION; MODULATORS; SYSTEMS; GAP AB Silicon photonics holds great promise for low-cost large-scale photonic integration. In its future development, integration density will play an ever-increasing role in a way similar to that witnessed in integrated circuits. Waveguides are perhaps the most ubiquitous component in silicon photonics. As such, the density of waveguide elements is expected to have a crucial influence on the integration density of a silicon photonic chip. A solution to high-density waveguide integration with minimal impact on other performance metrics such as crosstalk remains a vital issue in many applications. Here, we propose a waveguide superlattice and demonstrate advanced superlattice design concepts such as interlacing-recombination that enable high-density waveguide integration at a half-wavelength pitch with low crosstalk. Such waveguide superlattices can potentially lead to significant reduction in on-chip estate for waveguide elements and salient enhancement of performance for important applications, opening up possibilities for half-wavelength-pitch optical-phased arrays and ultra-dense space-division multiplexing. C1 [Song, Weiwei; Gatdula, Robert; Abbaslou, Siamak; Lai, Warren Y-C; Jiang, Wei] Rutgers State Univ, Dept Elect & Comp Engn, Piscataway, NJ 08854 USA. [Lu, Ming; Stein, Aaron] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Lai, Warren Y-C; Jiang, Wei] Rutgers State Univ, Inst Adv Mat Devices & Nanotechnol, Piscataway, NJ 08854 USA. [Provine, J.; Pease, R. Fabian W.] Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA. [Christodoulides, Demetrios N.] Univ Cent Florida, Sch Opt CREOL, Orlando, FL 32816 USA. [Jiang, Wei] Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China. [Jiang, Wei] Nanjing Univ, Coll Engn & Appl Sci, Nanjing 210093, Jiangsu, Peoples R China. RP Jiang, W (reprint author), Rutgers State Univ, Dept Elect & Comp Engn, Piscataway, NJ 08854 USA. EM wjiangnj@rci.rutgers.edu OI Stein, Aaron/0000-0003-4424-5416 FU U.S. Air Force Office of Scientific Research [FA9550-08-1-0394]; DARPA [N66001-12-1-4246]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; Young Thousand Talents program of China, Jiangsu Specially Appointed Professor program; Priority Academic Program Development of Jiangsu Higher Education Institutions FX We are grateful to George K. Celler, Philip E. Batson and Roy Yates for helpful discussions. This work is supported in part by U.S. Air Force Office of Scientific Research under Grant No. FA9550-08-1-0394 and by the DARPA Young Faculty Award under Grant No. N66001-12-1-4246. This research was carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. W.J. acknowledges partial support from the Young Thousand Talents program of China, Jiangsu Specially Appointed Professor program, and the Priority Academic Program Development of Jiangsu Higher Education Institutions. NR 49 TC 10 Z9 10 U1 6 U2 24 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 MAY PY 2015 VL 6 AR 7027 DI 10.1038/ncomms8027 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CJ5LX UT WOS:000355530100001 PM 25960367 ER PT J AU Xu, J Buin, A Ip, AH Li, W Voznyy, O Comin, R Yuan, MJ Jeon, S Ning, ZJ McDowell, JJ Kanjanaboos, P Sun, JP Lan, XZ Quan, LN Kim, DH Hill, IG Maksymovych, P Sargent, EH AF Xu, Jixian Buin, Andrei Ip, Alexander H. Li, Wei Voznyy, Oleksandr Comin, Riccardo Yuan, Mingjian Jeon, Seokmin Ning, Zhijun McDowell, Jeffrey J. Kanjanaboos, Pongsakorn Sun, Jon-Paul Lan, Xinzheng Quan, Li Na Kim, Dong Ha Hill, Ian G. Maksymovych, Peter Sargent, Edward H. TI Perovskite-fullerene hybrid materials suppress hysteresis in planar diodese SO NATURE COMMUNICATIONS LA English DT Article ID HETEROJUNCTION SOLAR-CELLS; HALIDE PEROVSKITES; PERFORMANCE; PASSIVATION; PHOTOLUMINESCENCE; RECOMBINATION; DEPOSITION; EFFICIENCY; MEMRISTOR; TRANSPORT AB Solution-processed planar perovskite devices are highly desirable in a wide variety of optoelectronic applications; however, they are prone to hysteresis and current instabilities. Here we report the first perovskite-PCBM hybrid solid with significantly reduced hysteresis and recombination loss achieved in a single step. This new material displays an efficient electrically coupled microstructure: PCBM is homogeneously distributed throughout the film at perovskite grain boundaries. The PCBM passivates the key PbI3- antisite defects during the perovskite self-assembly, as revealed by theory and experiment. Photoluminescence transient spectroscopy proves that the PCBM phase promotes electron extraction. We showcase this mixed material in planar solar cells that feature low hysteresis and enhanced photovoltage. Using conductive AFM studies, we reveal the memristive properties of perovskite films. We close by positing that PCBM, by tying up both halide-rich antisites and unincorporated halides, reduces electric field-induced anion migration that may give rise to hysteresis and unstable diode behaviour. C1 [Xu, Jixian; Buin, Andrei; Ip, Alexander H.; Li, Wei; Voznyy, Oleksandr; Comin, Riccardo; Yuan, Mingjian; Ning, Zhijun; McDowell, Jeffrey J.; Kanjanaboos, Pongsakorn; Lan, Xinzheng; Sargent, Edward H.] Univ Toronto, Dept Elect & Comp Engn, Toronto, ON M5S 3G4, Canada. [Jeon, Seokmin; Maksymovych, Peter] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Sun, Jon-Paul; Hill, Ian G.] Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS B3H 4R2, Canada. [Quan, Li Na; Kim, Dong Ha] Ewha Womans Univ, Dept Chem & Nano Sci, Seoul 120750, South Korea. RP Sargent, EH (reprint author), Univ Toronto, Dept Elect & Comp Engn, 10 Kings Coll Rd, Toronto, ON M5S 3G4, Canada. EM ted.sargent@utoronto.ca RI Ning , Zhijun/A-3601-2013; Kanjanaboos, Pongsakorn/Q-1050-2015; Maksymovych, Petro/C-3922-2016; Kim, Dong Ha/B-3778-2008; Comin, Riccardo/H-7731-2016; Jeon, Seokmin/A-1059-2016; Kim, Dong Ha/E-7868-2017 OI Kanjanaboos, Pongsakorn/0000-0002-4854-1733; Maksymovych, Petro/0000-0003-0822-8459; Kim, Dong Ha/0000-0003-0444-0479; Comin, Riccardo/0000-0002-1069-9973; Jeon, Seokmin/0000-0002-1230-906X; FU King Abdullah University of Science and Technology (KAUST) [KUS-11-009-21]; Ontario Research Fund-Research Excellence Program; Natural Sciences and Engineering Research Council (NSERC) of Canada; Canada Foundation for Innovation under the Compute Canada; Government of Ontario; Ontario Research Fund-Research Excellence; University of Toronto; National Research Foundation of Korea Grant - Korean Government [2014R1A2A1A09005656] FX This publication is based in part on work supported by Award KUS-11-009-21, made by King Abdullah University of Science and Technology (KAUST), by the Ontario Research Fund-Research Excellence Program, and by the Natural Sciences and Engineering Research Council (NSERC) of Canada. Computations were performed on the GPC supercomputer at the SciNet HPC Consortium. SciNet is funded by: the Canada Foundation for Innovation under the auspices of Compute Canada; the Government of Ontario; Ontario Research Fund-Research Excellence; and the University of Toronto. We thank Peter Brodersen from Surface Interface Ontario for SIMS measurements. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. L.N.Q. and D.H.K. acknowledge the financial support by National Research Foundation of Korea Grant funded by the Korean Government (2014R1A2A1A09005656). We thank Pengfei Li from the Department of Chemistry at the University of Toronto for help with time-of-flight mass spectrometry measurements. NR 43 TC 134 Z9 135 U1 57 U2 297 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 MAY PY 2015 VL 6 AR 7081 DI 10.1038/ncomms8081 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CJ5MJ UT WOS:000355531400007 PM 25953105 ER PT J AU Jiang, P Bao, XH Salmeron, M AF Jiang, Peng Bao, Xinhe Salmeron, Miquel TI Catalytic Reaction Processes Revealed by Scanning Probe Microscopy SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID ATOMIC-FORCE MICROSCOPY; PT-GROUP METALS; TUNNELING-MICROSCOPY; CO OXIDATION; IN-SITU; HETEROGENEOUS CATALYSIS; ULTRAHIGH-VACUUM; SCALE STRUCTURE; HIGH-PRESSURES; SURFACE AB Heterogeneous catalysis is of great importance for Modem society. About 80% of the chemicals are produced by catalytic reactions. Green energy production and utilization as well as: environmental protection also need efficient catalysts. Understanding the reaction mechanisms is crucial to improve the existing catalysts and develop new ones with better activity, selectivity, and stability. Three components are involved in one catalytic reaction: reactant, product, and catalyst. The catalytic reaction process consists of a series of elementary steps: adsorption, diffusion, reaction, and desorption. During reaction, the catalyst surface can change at the atomic level, with roughening, sintering, and segregation processes occurring dynamically in response to the reaction conditions. Therefore, it is imperative to obtain atomic-scale information for understanding catalytic reactions. Scanning probe microscopy (SPM) is a very appropriate tool for catalytic research at the atomic scale because of its unique atomic-resolution capability. A distinguishing feature of SPM, compared to other surface characterization techniques, such as X-ray photoelectron spectroscopy, is that there is no intrinsic limitation for SPM to work under realistic reaction conditions (usually high temperature and high pressure). Therefore, since it was introduced in 1981, scanning tunneling microscopy (STM) has been widely used to investigate the adsorption, diffusion, reaction, and desorption processes on solid catalyst surfaces at the atomic level. STM can also monitor dynamic changes of catalyst surfaces during reactions. These invaluable microscopic insights have not only deepened the understanding of catalytic processes, but also provided important guidance for the development of new catalysts. This Account will focus on elementary reaction processes revealed by SPM. First, we will demonstrate the power of SPM to investigate the adsorption and diffusion process of reactants on catalyst surfaces at the atomic level. Then the dynamic processes, including surface reconstruction, roughening, sintering, and phase separation, studied by SPM will be discussed. Furthermore, SPM provides valuable insights toward identifying the active sites and understanding the reaction mechanisms. We also illustrate here how both ultrahigh vacuum STM and high pressure STM provide valuable information, expanding the understanding provided by traditional surface science. We conclude with highlighting remarkable recent progress in noncontact atomic force microscopy (NC-AFM) and inelastic electron tunneling spectroscopy (IETS), and their impact on single-chemical-bond level characterization for catalytic reaction processes in the future. C1 [Jiang, Peng; Bao, Xinhe] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China. [Salmeron, Miquel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Salmeron, Miquel] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Jiang, P (reprint author), Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China. EM pengjiang@dicp.ac.cn FU National Natural Science Foundation of China [21273228]; National Key Basic Research Program of China [2013CB933100]; 100 Talents Program of Chinese Academy of Sciences; Office of Science, Division of Materials Sciences and Engineering, of the U.S. Department of Energy (DOE) [DE-AC02-05CH11231] FX The work at Dalian was supported by the National Natural Science Foundation of China (Grant No. 21273228), National Key Basic Research Program of China (Grant No. 2013CB933100), and 100 Talents Program of Chinese Academy of Sciences. M.S. was supported by the Office of Science, Division of Materials Sciences and Engineering, of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. NR 63 TC 6 Z9 6 U1 16 U2 159 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0001-4842 EI 1520-4898 J9 ACCOUNTS CHEM RES JI Accounts Chem. Res. PD MAY PY 2015 VL 48 IS 5 BP 1524 EP 1531 DI 10.1021/acs.accounts.5b00017 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA CI8XT UT WOS:000355055700032 PM 25856470 ER PT J AU Jin, T Xiong, ZC Zhu, X Mehio, N Chen, YJ Hu, J Zhang, WB Zou, HF Liu, HL Dai, S AF Jin, Tian Xiong, Zhichao Zhu, Xiang Mehio, Nada Chen, Yajing Hu, Jun Zhang, Weibing Zou, Hanfa Liu, Honglai Dai, Sheng TI Template-Free Synthesis of Mesoporous Polymers for Highly Selective Enrichment of Glycopeptides SO ACS MACRO LETTERS LA English DT Article ID MAGNETIC NANOPARTICLES; GLYCOPROTEINS; PERFORMANCE; CARBON AB A facile template-free strategy for the synthesis of mesoporous phenolic polymers with attractive porosities, nitrogen-containing functionalities, and intrinsic hydrophilic skeletons is presented. The resultant polymer has a high BET surface area (548 m(2) g(-1)) and mesopore size (13 nm) and exhibits superior glycopeptide-capturing performance, thus, revealing the potential application of mesoporous polymers in highly selective glycopeptide enrichment. This general capture protocol may open up new opportunities for the development of glycoproteomes. C1 [Jin, Tian; Xiong, Zhichao; Zhu, Xiang; Chen, Yajing; Hu, Jun; Zhang, Weibing; Liu, Honglai] E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China. [Jin, Tian; Xiong, Zhichao; Zhu, Xiang; Chen, Yajing; Hu, Jun; Zhang, Weibing; Liu, Honglai] E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China. [Zhu, Xiang] Tech Univ Dresden, Dept Chem & Food Chem, D-01062 Dresden, Germany. [Mehio, Nada; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Xiong, Zhichao; Zou, Hanfa] Chinese Acad Sci, Dalian Inst Chem Phys, Key Lab Separat Sci Analyt Chem, Dalian, Peoples R China. RP Zhu, X (reprint author), E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China. EM xiang.zbu@tu-dresden.de; hanfazou@dicp.ac.cn; hlliu@ecust.edu.cn; dais@ornl.gov RI Zhu, Xiang/P-6867-2014; Dai, Sheng/K-8411-2015 OI Zhu, Xiang/0000-0002-3973-4998; Dai, Sheng/0000-0002-8046-3931 FU National Basic Research Program of China [2013CB733501]; National Natural Science Foundation of China [91334203, 21376074, 21321064]; 111 Project of Ministry of Education of China [B08021]; Fundamental Research Funds for the Central Universities; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geo-sciences, and Biosciences Division FX This work is supported by the National Basic Research Program of China (Grant 2013CB733501), the National Natural Science Foundation of China (Grants 91334203, 21376074, and 21321064), the 111 Project of Ministry of Education of China (Grant B08021), and the Fundamental Research Funds for the Central Universities. N.M. and S.D. were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geo-sciences, and Biosciences Division. NR 25 TC 7 Z9 7 U1 16 U2 148 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-1653 J9 ACS MACRO LETT JI ACS Macro Lett. PD MAY PY 2015 VL 4 IS 5 BP 570 EP 574 DI 10.1021/acsmacrolett.5b00235 PG 5 WC Polymer Science SC Polymer Science GA CI9BY UT WOS:000355066600020 ER PT J AU Shcherbakov, MR Shorokhov, AS Neshev, DN Hopkins, B Staude, I Melik-Gaykazyan, EV Ezhov, AA Miroshnichenko, AE Brener, I Fedyanin, AA Kivshar, YS AF Shcherbakov, Maxim R. Shorokhov, Alexander S. Neshev, Dragomir N. Hopkins, Ben Staude, Isabelle Melik-Gaykazyan, Elizaveta V. Ezhov, Alexander A. Miroshnichenko, Andrey E. Brener, Igal Fedyanin, Andrey A. Kivshar, Yuri S. TI Nonlinear Interference and Tailorable Third-Harmonic Generation from Dielectric Oligomers SO ACS PHOTONICS LA English DT Article DE nonlinear optics; third-harmonic generation; silicon nanoparticles; nanoparticle oligomers; optical magnetism; Mie scattering ID FANO RESONANCES AB It is known that the nonlinear optical properties of photonic nanostructures can be modified substantially due to strong field confinement and optical resonances. In this contribution, we study third-harmonic generation from low-loss subwavelength silicon nanodisks arranged in the form of trimer oligomers with varying distance between the nano-particles. Each of the nanodisks exhibits both electric and magnetic Mie-type resonances that are shown to affect significantly the nonlinear response. We observe the third-harmonic radiation intensity that is comparable to that of a bulk silicon slab and demonstrate a pronounced reshaping of the third-harmonic spectra due to interference of the nonlinearly generated waves augmented by an interplay between the electric and the magnetic dipolar resonances. C1 [Shcherbakov, Maxim R.; Shorokhov, Alexander S.; Melik-Gaykazyan, Elizaveta V.; Ezhov, Alexander A.; Fedyanin, Andrey A.] Moscow MV Lomonosov State Univ, Fac Phys, Moscow 119991, Russia. [Neshev, Dragomir N.; Hopkins, Ben; Staude, Isabelle; Miroshnichenko, Andrey E.; Kivshar, Yuri S.] Australian Natl Univ, Res Sch Phys & Engn, Nonlinear Phys Ctr, Canberra, ACT 0200, Australia. [Brener, Igal] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Shcherbakov, MR (reprint author), Moscow MV Lomonosov State Univ, Fac Phys, Moscow 119991, Russia. EM shcherbakov@nanolab.phys.msu.ru RI Hopkins, Ben/J-1498-2015; Shcherbakov, Maxim/D-7571-2012; Shorokhov, Alexander/H-5523-2015; Melik-Gaykazyan, Elizaveta/J-9073-2015; Staude, Isabelle/N-4270-2015; Neshev, Dragomir/A-3759-2008; Fedyanin, Andrey/G-1803-2010; Miroshnichenko, Andrey/C-2170-2016 OI Hopkins, Ben/0000-0002-4570-4269; Shcherbakov, Maxim/0000-0001-7198-5482; Melik-Gaykazyan, Elizaveta/0000-0001-7633-2376; Neshev, Dragomir/0000-0002-4508-8646; Fedyanin, Andrey/0000-0003-4708-6895; Miroshnichenko, Andrey/0000-0001-9607-6621 FU Russian Science Foundation [14-12-01144]; Russian Foundation for Basic Research; Australian Research Council; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors acknowledge useful discussions with M. Kauranen, N. Panoiu, and A. Zayats, as well as the financial support from Russian Science Foundation (Grant #14-12-01144), Russian Foundation for Basic Research, and the Australian Research Council. 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 DE-AC04-94AL85000. NR 25 TC 30 Z9 30 U1 11 U2 30 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 MAY PY 2015 VL 2 IS 5 BP 578 EP 582 DI 10.1021/acsphotonics.5b00065 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics; Physics, Applied; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Optics; Physics GA CI9CB UT WOS:000355066900003 ER PT J AU Kugai, J Fox, EB Song, CS AF Kugai, Junichiro Fox, Elise B. Song, Chunshan TI Kinetic characteristics of oxygen-enhanced water gas shift on CeO2-supported Pt-Cu and Pd-Cu bimetallic catalysts SO APPLIED CATALYSIS A-GENERAL LA English DT Article DE Oxygen-enhanced water gas shift (OWGS); Water gas shift (WGS); Pd; Cu; Metal catalyst; CeO2-supported Pd-Cu; Bimetallic catalyst ID FUEL-CELL APPLICATIONS; CERIA-SUPPORTED CATALYSTS; PREFERENTIAL CO OXIDATION; CARBON-MONOXIDE; INFRARED-SPECTROSCOPY; METAL-CATALYSTS; HYDROGEN PROX; TEMPERATURE; CEO2; DEACTIVATION AB Our laboratory has developed a new approach to enhance water gas shift (WGS) at low temperature by adding a small amount of O-2 over CeO2-supported bimetallic catalysts, which is called oxygen-enhanced water gas shift (OWGS). In the present study, the activities of bimetallic and monometallic catalysts were comparatively evaluated and the origin for better performance in the bimetallic catalysts was sought by a kinetic study. The CeO2-supported Pt-Cu and Pd-Cu catalysts showed not only higher activity, but also higher stability for about 70 h under practical OWGS condition, which was corroborated by little change in FT-IR spectra of surface species before and after the long-duration reaction. In the kinetic analysis, O-2 addition to WGS significantly increased the reaction order in CO for all the catalysts tested while the reaction order in H2O changed little upon O-2 addition to WGS. The catalysts with relatively low CO order such as Pt or Pd had relatively high H2O order while the catalysts with high CO order such as Cu had low H2O order. Such a trend shows that the reaction rate is determined by the balance between the two reactants on the surface and O-2 addition to the feed changes this balance by removing some CO to make more sites open for H2O adsorption and activation. In the presence of the product gases, H2O activation becomes more rate-limiting, so that the combination of noble metal and copper on CeO2 is more effective with the use of added oxygen to remove the CO strongly adsorbed on the active sites. (C) 2015 Elsevier B.V. All rights reserved. C1 [Kugai, Junichiro; Song, Chunshan] Penn State Univ, EMS Energy Inst, Clean Fuels & Catalysis Program, University Pk, PA 16802 USA. [Kugai, Junichiro; Song, Chunshan] Penn State Univ, Dept Energy & Mineral Engn, University Pk, PA 16802 USA. [Fox, Elise B.] Savannah River Natl Lab, Mat Sci Technol, Aiken, SC 29808 USA. RP Song, CS (reprint author), Penn State Univ, EMS Energy Inst, Clean Fuels & Catalysis Program, 209 Acad Projects Bldg, University Pk, PA 16802 USA. EM jkugai@kobe-kosen.ac.jp; csong@psu.edu RI Song, Chunshan/B-3524-2008 OI Song, Chunshan/0000-0003-2344-9911 FU US Department of Energy, National Energy Technology Laboratory; US Office of Naval Research; [DE-AC09-08SR22470] FX We wish to thank the US Department of Energy, National Energy Technology Laboratory and US Office of Naval Research for partial support of this work on liquid fuel processing for fuel cells. We also thank Rhodia Co. for generously supplying CeO2 support. The Savannah River National Laboratory is managed by Savannah River Nuclear Solutions. This work was prepared under Federal Contract DE-AC09-08SR22470. NR 53 TC 6 Z9 6 U1 7 U2 68 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-860X EI 1873-3875 J9 APPL CATAL A-GEN JI Appl. Catal. A-Gen. PD MAY PY 2015 VL 497 BP 31 EP 41 DI 10.1016/j.apcata.2015.02.033 PG 11 WC Chemistry, Physical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA CI8WL UT WOS:000355052300005 ER PT J AU Martinelli, M Jacobs, G Graham, UM Shafer, WD Cronauer, DC Kropf, AJ Marshall, CL Khalid, S Visconti, CG Lietti, L Davis, BH AF Martinelli, Michela Jacobs, Gary Graham, Uschi M. Shafer, Wilson D. Cronauer, Donald C. Kropf, A. Jeremy Marshall, Christopher L. Khalid, Syed Visconti, Carlo G. Lietti, Luca Davis, Burtron H. TI Water-gas shift: Characterization and testing of nanoscale YSZ supported Pt catalysts SO APPLIED CATALYSIS A-GENERAL LA English DT Article DE Water-gas-shift; Zirconia; Pt/ZrO2; Yttrium stabilized zirconia (YSZ); Pt/YSZ; Surface defects; Surface mobility ID X-RAY-ABSORPTION; FUEL-CELL APPLICATIONS; IN-SITU DRIFTS; LOW-TEMPERATURE; STABILIZED ZIRCONIA; REACTION-MECHANISM; PROCESSING CATALYSTS; COMPUTER-SIMULATION; PT/CERIA CATALYSTS; PLATINUM CATALYSTS AB Nano-scale Y-doped zirconium oxide materials were prepared with high surface areas (150-200 m(2)/g) and small nano-crystallites (<8 nm). A combination of XANES and EXAFS was used to show that ZrO2 exhibited the tetragonal phase, while the Zr0.5Y0.5O1.75 support displayed the cubic phase. A comparison with undoped zirconia suggests that the Zr0.9Y0.1O1.95 support was tetragonal in structure. A slight increase in d-spacing observed in HR-TEM for the Zr0.9Y0.1O1.95 support relative to undoped ZrO2, along with a shift to lower 2 theta in XRD, provide evidence that Y-doping caused macrostrain. STEM imaging confirmed that the Pt clusters ranged from 0.5 to 2 nm over all three supports. Catalyst reducibility was explored by H-2-TPR, XANES at the Zr K-edge, and TPR-XANES at the Pt L-III edge. A higher concentration of surface defects for the 0.5%Pt/Zr0.9Y0.1O1.95 catalyst relative to 0.5%Pt/ZrO2 was confirmed by DRIFTS of adsorbed CO, while a greater surface mobility of surface formate was suggested based on forward formate decomposition experiments in steam. The Y-doped Pt promoted catalysts displayed higher water-gas-shift activity relative to the 0.5%Pt/ZrO2 catalyst when the Y content was at or below 50%, with the best catalyst being 0.5%Pt/Zr0.9Y0.1O1.95. (C) 2015 Elsevier B.V. All rights reserved. C1 [Martinelli, Michela; Jacobs, Gary; Graham, Uschi M.; Shafer, Wilson D.; Davis, Burtron H.] Univ Kentucky, Ctr Appl Energy Res, Lexington, KY 40511 USA. [Martinelli, Michela; Visconti, Carlo G.; Lietti, Luca] Politecn Milan, Dipartimento Energia, I-20133 Milan, Italy. [Cronauer, Donald C.; Kropf, A. Jeremy; Marshall, Christopher L.] Argonne Natl Lab, Argonne, IL 60439 USA. [Khalid, Syed] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Davis, BH (reprint author), Univ Kentucky, Ctr Appl Energy Res, 2540 Res Pk Dr, Lexington, KY 40511 USA. EM burtron.davis@uky.edu RI ID, MRCAT/G-7586-2011; Jacobs, Gary/M-5349-2015 OI Jacobs, Gary/0000-0003-0691-6717 FU Commonwealth of Kentucky; Italian Ministry of Education, Universities and Research; US DOE, Division of Materials Science and Chemical Science; U.S. DOE, Office of Fossil Energy, NETL; U.S. DOE, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; DOE; MRCAT FX Experiments conducted at UK-CAER were supported by the Commonwealth of Kentucky. We further acknowledge the financial support of the Italian Ministry of Education, Universities and Research for the scholarship of Dr. Michela Martinelli. This research was carried out, in part, at the National Synchrotron Light Source, Brookhaven National Laboratory, which is supported by the US DOE, Division of Materials Science and Chemical Science. Argonne's research was supported in part by the U.S. DOE, Office of Fossil Energy, NETL. The use of the APS was supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. MRCAT operations are supported by the DOE and the MRCAT member institutions. NR 68 TC 0 Z9 0 U1 12 U2 45 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-860X EI 1873-3875 J9 APPL CATAL A-GEN JI Appl. Catal. A-Gen. PD MAY PY 2015 VL 497 BP 184 EP 197 DI 10.1016/j.apcata.2014.12.055 PG 14 WC Chemistry, Physical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA CI8WL UT WOS:000355052300021 ER PT J AU Gilbertson, S Jackson, SI Vincent, SW Rodriguez, G AF Gilbertson, Steve Jackson, Scott I. Vincent, Samuel W. Rodriguez, George TI Detection of high explosive detonation across material interfaces with chirped fiber Bragg gratings SO APPLIED OPTICS LA English DT Article ID SHOCK DYNAMICS; PRESSURE AB Measuring detonation wavefront position and velocity changes across material interfaces has been demonstrated using an all-optical chirped fiber Bragg grating approach. An experiment was conducted with a cylindrical rate stick consisting of multiple high explosive (HE) segments. A measurement of detonation position across interfaces of different HE formulations was made for both low and high spatial resolution gratings. The results show the accuracy of measured velocities is increased with the higher resolution gratings. A decaying shock driven into the polymethyl methacrylate (PMMA) segment provided a measure of the minimum internal fiber pressure required for prompt grating destruction and accurate wavefront position measurement. (C) 2015 Optical Society of America C1 [Gilbertson, Steve; Rodriguez, George] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Jackson, Scott I.; Vincent, Samuel W.] Los Alamos Natl Lab, Weapons Expt Div, Los Alamos, NM 87545 USA. RP Gilbertson, S (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM steveg@lanl.gov RI Rodriguez, George/G-7571-2012; OI Rodriguez, George/0000-0002-6044-9462; Jackson, Scott/0000-0002-6814-3468 FU LANS, LLC for LANL Leda Project [DE-AC52-06NA25396] FX LANS, LLC for LANL Leda Project (DE-AC52-06NA25396). NR 24 TC 5 Z9 5 U1 4 U2 13 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 MAY 1 PY 2015 VL 54 IS 13 BP 3849 EP 3854 DI 10.1364/AO.54.003849 PG 6 WC Optics SC Optics GA CH4DC UT WOS:000353980900020 ER PT J AU Gullikson, EM Anderson, CN Kim, SS Lee, D Miyakawa, R Salmassi, F Naulleau, PP AF Gullikson, Eric M. Anderson, Christopher N. Kim, Seong-Sue Lee, Donggun Miyakawa, Ryan Salmassi, Farhad Naulleau, Patrick P. TI Molybdenum/silicon multilayer components for high harmonic generation sources SO APPLIED OPTICS LA English DT Article ID EXTREME-ULTRAVIOLET; ZONE-PLATE; MO/SI; LIGHT; MIRRORS; BEAM AB High harmonic generation sources have made great progress over the past decade and now readily support applications in the extreme ultraviolet (EUV) regime and beyond. In many applications, the keys to the utility of these sources are multilayer components such as mirrors and beam splitters. Here we present recent results in the development and fabrication of such components in the EUV regime, including line-narrowing mirrors achieving bandwidths (lambda/Delta lambda) of 175, single and multiple harmonic-selecting multilayers with reflectances of greater than 40% in the 13 nm range, and ultralow stress membrane beam splitters enabling direct EUV pulse energy monitoring. (C) 2015 Optical Society of America C1 [Gullikson, Eric M.; Anderson, Christopher N.; Miyakawa, Ryan; Salmassi, Farhad; Naulleau, Patrick P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Kim, Seong-Sue; Lee, Donggun] Samsung Elect Co Ltd, Hwasung 445701, Gyeonggi, South Korea. RP Naulleau, PP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM pnaulleau@lbl.gov RI Anderson, Christopher/H-9526-2015 OI Anderson, Christopher/0000-0002-2710-733X FU Samsung Semiconductor through the U.S. Department of Energy FX This work was supported by Samsung Semiconductor through the U.S. Department of Energy. NR 26 TC 5 Z9 5 U1 3 U2 12 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 MAY 1 PY 2015 VL 54 IS 13 BP 4280 EP 4284 DI 10.1364/AO.54.004280 PG 5 WC Optics SC Optics GA CH4DC UT WOS:000353980900079 ER PT J AU Garrett, A New, J AF Garrett, Aaron New, Joshua TI Scalable tuning of building models to hourly data SO ENERGY LA English DT Article DE Autotune; Energy Plus; Calibration; Optimization; Evolutionary computation ID SYSTEMS AB Energy models of existing buildings are unreliable unless calibrated so that they correlate well with actual energy usage. Manual tuning requires a skilled professional and is prohibitively expensive for small projects, imperfect, non-repeatable, and not scalable to the dozens of sensor channels that smart meters, smart appliances, and sensors are making available. A scalable, automated methodology is needed to quickly, intelligently calibrate building energy models to all available data, increase the usefulness of those models, and facilitate speed-and-scale penetration of simulation-based capabilities into the marketplace for actualized energy savings. The "Autotune" project is a novel, model-agnostic methodology that leverages supercomputing, large simulation ensembles, and big data mining with multiple machine learning algorithms to allow automatic calibration of simulations that match measured experimental data in a way that is deployable on commodity hardware. This paper shares several methodologies employed to reduce the combinatorial complexity to a computationally tractable search problem for hundreds of input parameters. Accuracy metrics are provided that quantify model error to measured data for either monthly or hourly electrical usage from a highly instrumented, emulated-occupancy research home. Published by Elsevier Ltd. C1 [Garrett, Aaron] Jacksonville State Univ, Math Comp & Informat Sci, Jacksonville, AL USA. [New, Joshua] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP New, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM newjr@ornl.gov OI New, Joshua/0000-0001-8015-0583 FU DOE Building Technology [BT0201000, CEBT105]; Office of Science of the DOE [DE-AC05-00OR22725]; RDAV (Remote Data Analysis and Visualization) Center of the University of Tennessee-Knoxville (NSF) [ARRA-NSF-OCI-0906324, NSF-OCI-1136246]; DOE [DE-AC05-00OR22725, DEAC05-00OR22725] FX This work was funded by field work proposal CEBT105 under DOE Building Technology Activity Number BT0201000. We would like to thank Amir Roth for his support and review of this project. This research used resources of the Oak Ridge Leadership Computing Facility at ORNL, which is supported by the Office of Science of the DOE under Contract No. DE-AC05-00OR22725. Our work has been enabled and supported by data analysis and visualization experts at the RDAV (Remote Data Analysis and Visualization) Center of the University of Tennessee-Knoxville (NSF grant no. ARRA-NSF-OCI-0906324 and NSF-OCI-1136246). ORNL is managed by UT-Battelle, LLC, for DOE under contract DE-AC05-00OR22725. This manuscript has been authored by UT-Battelle, LLC, under Contract Number DEAC05-00OR22725 with DOE. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 32 TC 2 Z9 2 U1 5 U2 11 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 MAY 1 PY 2015 VL 84 BP 493 EP 502 DI 10.1016/j.energy.2015.03.014 PG 10 WC Thermodynamics; Energy & Fuels SC Thermodynamics; Energy & Fuels GA CI8QD UT WOS:000355035900047 ER PT J AU Howe, D Westover, T Carpenter, D Santosa, D Emerson, R Deutch, S Starace, A Kutnyakov, I Lukins, C AF Howe, Daniel Westover, Tyler Carpenter, Daniel Santosa, Daniel Emerson, Rachel Deutch, Steve Starace, Anne Kutnyakov, Igor Lukins, Craig TI Field-to-Fuel Performance Testing of Lignocellulosic Feedstocks: An Integrated Study of the Fast Pyrolysis-Hydrotreating Pathway SO ENERGY & FUELS LA English DT Article; Proceedings Paper CT 15th International Conference on Petroleum Phase Behavior and Fouling (Petrophase) CY JUN 08-12, 2014 CL Galveston, TX SP Rice Univ, Baker Hughes ID BIO-OIL; BIOMASS; PRODUCTS; QUALITY; WOOD; LIQUIDS; LIGNIN; IMPACT; YIELDS AB Feedstock composition can affect final fuel yields and quality for the fast pyrolysis and hydrotreatment upgrading pathway. However, previous studies have focused on individual unit operations rather than the integrated system. In this study, a suite of six pure lignocellulosic feedstocks (clean (no bark) pine, whole-tree (including bark) pine, tulip poplar, hybrid poplar, switchgrass, and corn stover) and two blends (equal weight percentages whole-tree pine/tulip poplar/switchgrass and whole-tree pine/clean pine/hybrid poplar) were prepared and characterized. These materials then underwent fast pyrolysis and hydrotreatment. Although some feedstocks showed a high fast pyrolysis bio-oil yield, such as tulip poplar at 60%, high yields in the hydrotreater were not always observed. Results showed overall fuel yields of 17% (switchgrass), 20% (corn stover), 24% (tulip poplar, blend 1, blend 2), 25% (whole-tree pine, hybrid poplar), and 27% (clean pine). Simulated distillation of the upgraded oils indicated that the gasoline fraction varied from 39% (clean pine) to 51% (corn stover), while the diesel fraction ranged from 40% (corn stover) to 46% (tulip poplar). Little variation was seen in the jet fuel fraction at 11-12%. Hydrogen consumption during hydrotreating, a major factor in the economic feasibility of the integrated process, ranged from 0.051 g/g dry feed (tulip poplar) to 0.070 g/g dry feed (clean pine). C1 [Howe, Daniel; Santosa, Daniel; Kutnyakov, Igor; Lukins, Craig] Pacific NW Natl Lab, Richland, WA 99352 USA. [Westover, Tyler; Emerson, Rachel] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Carpenter, Daniel; Deutch, Steve; Starace, Anne] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Howe, D (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM Daniel.howe@pnnl.gov FU U.S. Department of Energy [DE-AC05-76RL01830] FX This manuscript has been authored by Battelle Memorial Institute under Contract DE-AC05-76RL01830 with the U.S. Department of Energy. NR 35 TC 14 Z9 14 U1 8 U2 33 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 MAY PY 2015 VL 29 IS 5 BP 3188 EP 3197 DI 10.1021/acs.energyfuels.5b00304 PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CJ0IE UT WOS:000355158200051 ER PT J AU Porter, WC Rosenstiel, TN Guenther, A Lamarque, JF Barsanti, K AF Porter, William C. Rosenstiel, Todd N. Guenther, Alex Lamarque, Jean-Francois Barsanti, Kelley TI Reducing the negative human-health impacts of bioenergy crop emissions through region-specific crop selection SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE bioenergy; air quality; climate change ID ORGANIC-COMPOUND EMISSIONS; OUTDOOR AIR-POLLUTION; GLOBAL BURDEN; CELLULOSIC ETHANOL; QUALITY IMPACTS; BIOFUEL CROPS; UNITED-STATES; ARUNDO-DONAX; MORTALITY; OZONE AB An expected global increase in bioenergy-crop cultivation as an alternative to fossil fuels will have consequences on both global climate and local air quality through changes in biogenic emissions of volatile organic compounds (VOCs). While greenhouse gas emissions may be reduced through the substitution of next-generation bioenergy crops such as eucalyptus, giant reed, and switchgrass for fossil fuels, the choice of species has important ramifications for human health, potentially reducing the benefits of conversion due to increases in ozone (O-3) and fine particulate matter (PM2.5) levels as a result of large changes in biogenic emissions. Using the Community Earth System Model we simulate the conversion of marginal and underutilized croplands worldwide to bioenergy crops under varying future anthropogenic emissions scenarios. A conservative global replacement using high VOC-emitting crop profiles leads to modeled population-weighted O-3 increases of 5-27 ppb in India, 1-9 ppb in China, and 1-6 ppb in the United States, with peak PM2.5 increases of up to 2 mu g m(-3). We present a metric for the regional evaluation of candidate bioenergy crops, as well as results for the application of this metric to four representative emissions profiles using four replacement scales (10-100% maximum estimated available land). Finally, we assess the total health and climate impacts of biogenic emissions, finding that the negative consequences of using high-emitting crops could exceed 50% of the positive benefits of reduced fossil fuel emissions in value. C1 [Porter, William C.; Rosenstiel, Todd N.; Barsanti, Kelley] Portland State Univ, Portland, OR 97201 USA. [Guenther, Alex] Pacific NW Natl Lab, Richland, WA 99354 USA. [Lamarque, Jean-Francois] Natl Ctr Atmospher Res, Boulder, CO 80305 USA. RP Porter, WC (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM wporter@mit.edu RI Lamarque, Jean-Francois/L-2313-2014; OI Lamarque, Jean-Francois/0000-0002-4225-5074; , /0000-0002-3121-8323 NR 51 TC 0 Z9 0 U1 5 U2 37 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 MAY PY 2015 VL 10 IS 5 AR 054004 DI 10.1088/1748-9326/10/5/054004 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CJ0XA UT WOS:000355201800006 ER PT J AU Zhou, YY Smith, SJ Zhao, KG Imhoff, M Thomson, A Bond-Lamberty, B Asrar, G Zhang, XS He, CY Elvidge, CD AF Zhou, Yuyu Smith, Steven J. Zhao, Kaiguang Imhoff, Marc Thomson, Allison Bond-Lamberty, Ben Asrar, Ghassem R. Zhang, Xuesong He, Chunyang Elvidge, Christopher D. TI A global map of urban extent from nightlights SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE nightlights; global; urban; threshold; DMSP/OLS ID LAND-COVER DATABASE; UNITED-STATES; SATELLITE DATA; SURFACE-AREAS; CO2 EMISSIONS; URBANIZATION; IMAGERY; CHINA; CONSEQUENCES; DYNAMICS AB Urbanization, a major driver of global change, profoundly impacts our physical and social world, for example, altering not just water and carbon cycling, biodiversity, and climate, but also demography, public health, and economy. Understanding these consequences for better scientific insights and effective decision-making unarguably requires accurate information on urban extent and its spatial distributions. Wedeveloped a method to map the urban extent from the defense meteorological satellite program/operational linescan system nighttime stable-light data at the global level and created a new global 1 km urban extent map for the year 2000. Our map shows that globally, urban is about 0.5% of total land area but ranges widely at the regional level, from 0.1% in Oceania to 2.3% in Europe. At the country level, urbanized land varies from about 0.01 to 10%, but is lower than 1% for most (70%) countries. Urbanization follows land mass distribution, as anticipated, with the highest concentration between 30 degrees Nand 45 degrees N latitude and the largest longitudinal peak around 80 degrees W. Based on a sensitivity analysis and comparison with other global urban area products, we found that our global product of urban areas provides a reliable estimate of global urban areas and offers the potential for producing a time-series of urban area maps for temporal dynamics analyses. C1 [Zhou, Yuyu; Smith, Steven J.; Thomson, Allison; Bond-Lamberty, Ben; Asrar, Ghassem R.; Zhang, Xuesong] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Zhao, Kaiguang] Ohio State Univ, Sch Environm & Nat Resources, OARDC, Wooster, OH 44691 USA. [Imhoff, Marc] Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20742 USA. [He, Chunyang] Beijing Normal Univ, State Key Lab Earth Surface Proc & Resource Ecol, Beijing 100875, Peoples R China. [Elvidge, Christopher D.] NOAA, Natl Geophys Data Ctr, Earth Observat Grp, Boulder, CO 80303 USA. RP Zhou, YY (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. EM Yuyu.zhou@pnnl.gov RI Bond-Lamberty, Ben/C-6058-2008; zhang, xuesong/B-7907-2009; Elvidge, Christopher/C-3012-2009; Zhao, Kaiguang/D-1172-2010 OI Bond-Lamberty, Ben/0000-0001-9525-4633; FU NASA [NNH11ZDA001N-LCLUC] FX We acknowledge the funding support from NASA ROSES LAND-COVER / LAND-USE CHANGE program (NNH11ZDA001N-LCLUC). We thank Dr Yaling Liu for a very useful internal review, and the many colleagues and organizations that shared data used in this project. The global map of urban area extent produced in this study can be requested from yuyu.zhou@pnnl.gov. NR 43 TC 12 Z9 12 U1 6 U2 52 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 MAY PY 2015 VL 10 IS 5 AR 054011 DI 10.1088/1748-9326/10/5/054011 PG 11 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CJ0XA UT WOS:000355201800013 ER PT J AU Sylvester, K Wang, QM James, B Mendez, R Hulfachor, AB Hittinger, CT AF Sylvester, Kayla Wang, Qi-Ming James, Brielle Mendez, Russell Hulfachor, Amanda Beth Hittinger, Chris Todd TI Temperature and host preferences drive the diversification of Saccharomyces and other yeasts: a survey and the discovery of eight new yeast species SO FEMS YEAST RESEARCH LA English DT Article DE biodiversity; fungus-plant interactions; new yeast species ID BASIDIOCARP-FEEDING BEETLES; XYLOSE-FERMENTING YEASTS; ATLANTIC RAIN-FOREST; POPULATION-STRUCTURE; SP NOV.; ROTTING WOOD; PHYLOGENETIC-RELATIONSHIPS; AMAZONIAN FOREST; CEREVISIAE; EVOLUTION AB Compared to its status as an experimental model system and importance to industry, the ecology and genetic diversity of the genus Saccharomyces has received less attention. To investigate systematically the biogeography, community members and habitat of these important yeasts, we isolated and identified nearly 600 yeast strains using sugar-rich enrichment protocols. Isolates were highly diverse and contained representatives of more than 80 species from over 30 genera, including eight novel species that we describe here: Kwoniella betulae f.a. (yHKS285(T) = NRRL Y-63732(T) = CBS 13896(T)), Kwoniella newhampshirensis f.a. (yHKS256(T) = NRRL Y-63731(T) = CBS 13917(T)), Cryptococcus wisconsinensis (yHKS301(T) = NRRL Y-63733(T) = CBS 13895(T)), Cryptococcus tahquamenonensis (yHAB242(T) = NRRL Y-63730(T) = CBS 13897(T)), Kodamaea meredithiae f.a. (yHAB239(T) = NRRL Y-63729(T) = CBS 13899(T)), Blastobotrys buckinghamii (yHAB196(T) = NRRL Y-63727(T) = CBS 13900(T)), Candida sungouii (yHBJ21(T) = NRRL Y-63726(T) = CBS 13907(T)) and Cyberlindnera culbertsonii f.a. (yHAB218(T) = NRRL Y-63728(T) = CBS 13898(T)), spp. nov. Saccharomyces paradoxus was one of the most frequently isolated species and was represented by three genetically distinct lineages in Wisconsin alone. We found a statistically significant association between Quercus (oak) samples and the isolation of S. paradoxus, as well as several novel associations. Variation in temperature preference was widespread across taxonomic ranks and evolutionary timescales. This survey highlights the genetic and taxonomic diversity of yeasts and suggests that host and temperature preferences are major ecological factors. C1 [Sylvester, Kayla; Wang, Qi-Ming; James, Brielle; Mendez, Russell; Hulfachor, Amanda Beth; Hittinger, Chris Todd] Univ Wisconsin, Genome Ctr Wisconsin, JF Crow Inst Study Evolut, Wisconsin Energy Inst,Lab Genet, Madison, WI 53706 USA. [Sylvester, Kayla; Mendez, Russell; Hittinger, Chris Todd] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. [Wang, Qi-Ming] Chinese Acad Sci, Inst Microbiol, State Key Lab Mycol, Beijing 100101, Peoples R China. RP Hittinger, CT (reprint author), Univ Wisconsin, Genet Biotechnol Ctr 2434, Genet Lab, 425-G Henry Mall, Madison, WI 53706 USA. EM cthittinger@wisc.edu FU National Science Foundation [DEB-1253634]; DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-FC02-07ER64494]; Pew Charitable Trusts FX This material is based upon work supported by the National Science Foundation under Grant No. DEB-1253634 and funded in part by the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494). CTH is a Pew Scholar in the Biomedical Sciences, supported by the Pew Charitable Trusts. NR 83 TC 13 Z9 13 U1 3 U2 20 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1567-1356 EI 1567-1364 J9 FEMS YEAST RES JI FEMS Yeast Res. PD MAY PY 2015 VL 15 IS 3 AR fov002 DI 10.1093/femsyr/fov002 PG 16 WC Biotechnology & Applied Microbiology; Microbiology; Mycology SC Biotechnology & Applied Microbiology; Microbiology; Mycology GA CJ2NV UT WOS:000355322600001 ER PT J AU Lin, YZ Syracuse, EM Maceira, M Zhang, HJ Larmat, C AF Lin, Youzuo Syracuse, Ellen M. Maceira, Monica Zhang, Haijiang Larmat, Carene TI Double-difference traveltime tomography with edge-preserving regularization and a priori interfaces SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Inverse theory; Tomography; Body waves; Seismic tomography; Computational seismology ID SPARSE LINEAR-EQUATIONS; LEAST-SQUARES; GEOPHYSICAL INVERSIONS; IMAGE-RECONSTRUCTION; SEISMIC TOMOGRAPHY; 3-D INVERSION; HAYWARD FAULT; MAGNETIC DATA; ALGORITHM; MINIMIZATION AB Conventional traveltime seismic tomography methods with Tikhonov regularization (L-2 norm) typically produce smooth models, but these models may be inappropriate when subsurface structure contains discontinuous features, such as faults or fractures, indicating that tomographic models should contain sharp boundaries. For this reason, we develop a double-difference (DD) traveltime tomography method that uses a modified total-variation regularization scheme incorporated with a priori information on interfaces to preserve sharp property contrasts and obtain accurate inversion results. In order to solve the inversion problem, we employ an alternating minimization method to decouple the original DD tomography problem into two separate subproblems: a conventional DD tomography with Tikhonov regularization and a L-2 total-variation inversion. We use the LSQR linear solver to solve the Tikhonov inversion and the split-Bregman iterative method to solve the total-variation inversion. Through our numerical examples, we show that our new DD tomography method yields more accurate results than the conventional DD tomography method at almost the same computational cost. C1 [Lin, Youzuo; Syracuse, Ellen M.; Maceira, Monica; Larmat, Carene] Los Alamos Natl Lab, Geophys Grp, Los Alamos, NM 87545 USA. [Zhang, Haijiang] Univ Sci & Technol China, Sch Earth & Space Sci, Hefei 230026, Anhui, Peoples R China. RP Lin, YZ (reprint author), Los Alamos Natl Lab, Geophys Grp, MS D452, Los Alamos, NM 87545 USA. EM ylin@lanl.gov OI Maceira, Monica/0000-0003-1248-2185; Larmat, Carene S/0000-0002-3607-7558; Syracuse, Ellen/0000-0002-8145-8480 FU U.S. DOE [LDRD-20120047ER] FX This work was supported by the U.S. DOE (Grant LDRD-20120047ER). We thank Dr Charles Ammon from Penn State for his valuable suggestions. Thanks also to the developers of the Generic Mapping Tool (GMT; Wessel et al. 2013). We thank the Editor, Dr Egill Hauksson, and both reviewers, Dr Peter Lelievre and an anonymous reviewer for their valuable comments and suggestions. NR 57 TC 2 Z9 2 U1 4 U2 14 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD MAY PY 2015 VL 201 IS 2 BP 574 EP 594 DI 10.1093/gji/ggv047 PG 21 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CJ2NB UT WOS:000355320500005 ER PT J AU Agrawal, M Pulliam, J Sen, MK Dutta, U Pasyanos, ME Mellors, R AF Agrawal, Mohit Pulliam, Jay Sen, Mrinal K. Dutta, Utpal Pasyanos, Michael E. Mellors, Robert TI Crustal and uppermost mantle structure in the Middle East: assessing constraints provided by jointly modelling Ps and Sp receiver functions and Rayleigh wave group velocity dispersion curves SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Time-series analysis; Inverse theory; Probability distributions; Seismicity and tectonics; Computational seismology; Statistical seismology ID CONTINENT-CONTINENT COLLISION; ANATOLIAN PLATEAU TURKEY; TURKISH-IRANIAN PLATEAU; MONTE CARLO INVERSION; MOUNTAIN BELT IRAN; SURROUNDING REGIONS; STRUCTURE BENEATH; LITHOSPHERIC STRUCTURE; GEOPHYSICAL INVERSION; NEIGHBORHOOD ALGORITHM AB Seismic velocity models are found, along with uncertainty estimates, for 11 sites in the Middle East by jointly modelling Ps and Sp receiver functions and surface (Rayleigh) wave group velocity dispersion. The approach performs a search for models that satisfy goodness-of-fit criteria guided by a variant of simulated annealing and uses statistical tools to assess these products of searches. These tools, a parameter correlation matrix and marginal posterior probability density (PPD) function, allow us to evaluate quantitatively the constraints that each data type imposes on model parameters and to identify portions of each model that are well-constrained relative to other portions. This joint modelling technique, which we call 'multi-objective optimization for seismology', does not require a good starting solution, although such a model can be incorporated easily, if available, and can reduce the computation time significantly. Applying the process described above to broadband seismic data reveals that crustal thickness varies from 15 km beneath Djibouti (station ATD) to 45 km beneath Saudi Arabia (station RAYN). A pronounced low velocity zone for both Vp and Vs is present at a depth of similar to 12 km beneath station KIV located in northern part of greater Caucasus, which may be due to the presence of a relatively young volcano. Similarly, we also noticed a 6-km-thick low velocity zone for Vp beginning at 20 km depth beneath seismic station AGIN, on the Anatolian plateau, while positive velocity gradients prevail elsewhere in eastern Turkey. Beneath station CSS, located in Cyprus, an anomalously slow layer is found in the uppermost mantle, which may indicate the presence of altered lithospheric material. Crustal P-and S-wave velocities beneath station D2, located in the northeastern portion of central Zagros, range between 5.2-6.2 and 3.2-3.8 km s(-1), respectively. In Oman, we find a Moho depth of 34.0 +/- 1.0 km and 25.0 +/- 1.0 to 30.0 +/- 1.0 km beneath stations S02 and S04, respectively. C1 [Agrawal, Mohit; Pulliam, Jay] Baylor Univ, Dept Geol, Waco, TX 76798 USA. [Sen, Mrinal K.] Univ Texas Austin, Inst Geophys, John A & Katherine G Jackson Sch Geosci, Austin, TX 78758 USA. [Dutta, Utpal] Univ Alaska Anchorage, Dept Civil Engn, Anchorage, AK 99508 USA. [Pasyanos, Michael E.; Mellors, Robert] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA 94550 USA. RP Agrawal, M (reprint author), Baylor Univ, Dept Geol, Waco, TX 76798 USA. EM mohit_agrawal@baylor.edu RI Mellors, Robert/K-7479-2014; Pasyanos, Michael/C-3125-2013; GEOFON, GlobalSeismicNetwork/E-4273-2012 OI Mellors, Robert/0000-0002-2723-5163; FU National Nuclear Security Administration [DE-AC52-09NA29327]; W.M. Keck Foundation; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We thank C.J. Ammon and R.B. Herrmann for making their codes available for the computation of receiver functions and surface wave dispersion and three anonymous reviewers for their constructive suggestions and criticism. We thank the Incorporated Research Institutions for Seismology (IRIS), Geoscope, and GEOFON for their roles in acquiring, archiving, and disseminating broadband seismic data for the Middle East. This research was supported by funding from the National Nuclear Security Administration (Contract DE-AC52-09NA29327) and the W.M. Keck Foundation. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. This is LLNL contribution LLNL-JRNL-642041. NR 107 TC 2 Z9 2 U1 1 U2 17 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD MAY PY 2015 VL 201 IS 2 BP 783 EP 810 DI 10.1093/gji/ggv050 PG 28 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CJ2NB UT WOS:000355320500017 ER PT J AU Kodavasal, J Kolodziej, CP Ciatti, SA Som, S AF Kodavasal, Janardhan Kolodziej, Christopher P. Ciatti, Stephen A. Som, Sibendu TI Computational Fluid Dynamics Simulation of Gasoline Compression Ignition SO JOURNAL OF ENERGY RESOURCES TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article ID ENGINE CONDITIONS; COMBUSTION; DURATION; MODEL AB Gasoline compression ignition (GCI) is a low temperature combustion (LTC) concept that has been gaining increasing interest over the recent years owing to its potential to achieve diesel-like thermal efficiencies with significantly reduced engine-out nitrogen oxides (NOx) and soot emissions compared to diesel engines. In this work, closed-cycle computational fluid dynamics (CFD) simulations are performed of this combustion mode using a sector mesh in an effort to understand effects of model settings on simulation results. One goal of this work is to provide recommendations for grid resolution, combustion model, chemical kinetic mechanism, and turbulence model to accurately capture experimental combustion characteristics. Grid resolutions ranging from 0.7 mm to 0.1 mm minimum cell sizes were evaluated in conjunction with both Reynolds averaged Navier-Stokes (RANS) and large eddy simulation (LES) based turbulence models. Solution of chemical kinetics using the multizone approach is evaluated against the detailed approach of solving chemistry in every cell. The relatively small primary reference fuel (PRF) mechanism (48 species) used in this study is also evaluated against a larger 312-species gasoline mechanism. Based on these studies, the following model settings are chosen keeping in mind both accuracy and computation costs-0.175mm minimum cell size grid, RANS turbulence model, 48-species PRF mechanism, and multizone chemistry solution with bin limits of 5 K in temperature and 0.05 in equivalence ratio. With these settings, the performance of the CFD model is evaluated against experimental results corresponding to a low load start of injection (SOI) timing sweep. The model is then exercised to investigate the effect of SOI on combustion phasing with constant intake valve closing (IVC) conditions and fueling over a range of SOI timings to isolate the impact of SOI on charge preparation and ignition. Simulation results indicate that there is an optimum SOI timing, in this case -30 deg aTDC (after top dead center), which results in the most stable combustion. Advancing injection with respect to this point leads to significant fuel mass burning in the colder squish region, leading to retarded phasing and ultimately misfire for SOI timings earlier than -42 deg aTDC. On the other hand, retarding injection beyond this optimum timing results in reduced residence time available for gasoline ignition kinetics, and also leads to retarded phasing, with misfire at SOI timings later than -15 deg aTDC. C1 [Kodavasal, Janardhan; Kolodziej, Christopher P.; Ciatti, Stephen A.; Som, Sibendu] Argonne Natl Lab, Argonne, IL 60439 USA. RP Kodavasal, J (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jkodavasal@anl.gov; ckolodziej@anl.gov; sciatti@anl.gov; ssom@anl.gov FU United States Department of Energy (DOE), Office of Vehicle Technologies, Office of Energy Efficiency and Renewable Energy [DE-AC02-06CH11357] FX The authors would also like to acknowledge Ms. Bishwadipa Das Adhikary and Professor Rolf Reitz of the University of Wisconsin for providing us with the CFD mesh and for valuable discussions. We also acknowledge Dr. Peter Kelly Senecal of Convergent Science Inc. for helping us with the initial setup of the simulations in CONVERGE. This research was funded by the United States Department of Energy (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, program manager at DOE, for his support. NR 57 TC 4 Z9 4 U1 2 U2 16 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0195-0738 J9 J ENERG RESOUR-ASME JI J. Energy Resour. Technol.-Trans. ASME PD MAY PY 2015 VL 137 IS 3 AR 032212 DI 10.1115/1.4029963 PG 13 WC Energy & Fuels SC Energy & Fuels GA CJ1ZT UT WOS:000355284500017 ER PT J AU Bidkar, S Gumaste, A Ghodasara, P Kushwaha, A Wang, JP Somani, A AF Bidkar, Sarvesh Gumaste, Ashwin Ghodasara, Puneet Kushwaha, Annirudha Wang, Jianping Somani, Arun TI Scalable Segment Routing-A New Paradigm for Efficient Service Provider Networking Using Carrier Ethernet Advances SO JOURNAL OF OPTICAL COMMUNICATIONS AND NETWORKING LA English DT Article DE Carrier Ethernet; Compact routing; Omnipresent Ethernet; Segment routing ID EVOLUTION; STRETCH; GRAPHS; ROUTER; ENERGY AB Segment routing has recently been proposed in the IETF toward making IP/MPLS networks service-oriented while simplifying network operations. Segment routing computes paths at the source node using node identifiers and adjacency identifiers conjoined together to create a source-routed path. We propose a scalable transport paradigm as an enabler toward implementing segment routing in provider networks. We propose omnipresent Ethernet, our modification of carrier Ethernet (which is based on source-routed, binary-routed labels embedded in an Ethernet frame), to implement segment routing. We identify some of the scalability issues of the segment-routing proposal in the context of source-routing overhead. To absolve scalability issues of segment routing, two routing schemes that implement multidomain source-routing techniques are proposed. The hierarchical segment-routing (H-SR) scheme is proposed, which deploys a limited number of special nodes called swap nodes that are capable of label swapping to implement routing. The swap-node placement problem is formulated as an integer linear program to minimize the total routing distance within a network. Three heuristic techniques for swap-node selection based on centrality paradigms are presented. The H-SR scheme is further improved by a proposed multisegment-routing (M-SR) scheme that assumes all nodes in the network to be capable of label swapping. The H-SR and M-SR schemes are shown to significantly enhance the scalability of segment routing. A test-bed is built using carrier Ethernet hardware to support segment routing that validates the implementation of the proposed schemes. A simulation model to evaluate the schemes from a scalability perspective and their associated trade-offs is presented. C1 [Bidkar, Sarvesh; Ghodasara, Puneet; Kushwaha, Annirudha] Indian Inst Technol, Dept Comp Sci & Engn, Bombay, Maharashtra, India. [Gumaste, Ashwin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wang, Jianping] City Univ Hong Kong, Dept Comp Sci, Hong Kong, Hong Kong, Peoples R China. [Somani, Arun] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA. RP Bidkar, S (reprint author), Indian Inst Technol, Dept Comp Sci & Engn, Bombay, Maharashtra, India. EM ashwing@ieee.org RI Somani, Arun /C-5961-2017; OI Somani, Arun /0000-0002-6248-4376; WANG, Jianping /0000-0002-9318-1482 NR 23 TC 5 Z9 5 U1 0 U2 2 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1943-0620 EI 1943-0639 J9 J OPT COMMUN NETW JI J. Opt. Commun. Netw. PD MAY PY 2015 VL 7 IS 5 BP 445 EP 460 DI 10.1364/JOCN.7.000445 PG 16 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Optics; Telecommunications SC Computer Science; Optics; Telecommunications GA CJ1QR UT WOS:000355259500006 ER PT J AU Capobianco, RM Gruszkiewicz, MS Bodnar, RJ Rimstidt, JD AF Capobianco, Ryan M. Gruszkiewicz, Miroslaw S. Bodnar, Robert J. Rimstidt, J. Donald TI Conductivity Measurements on H2O-Bearing CO2-Rich Fluids SO JOURNAL OF SOLUTION CHEMISTRY LA English DT Article DE Carbon dioxide; CO2 + H2O; Carbonic acid; Electrolytic conductivity; Ionization; CCS; EGS ID CARBONIC-ACID; SUPERCRITICAL CO2; CONDUCTANCE MEASUREMENTS; IONIZATION-CONSTANT; SALINE FORMATIONS; HIGH-TEMPERATURES; AQUEOUS-SOLUTION; GAS-RESERVOIRS; NACL SOLUTIONS; BINARY-SYSTEM AB Recent studies report rapid corrosion of metals and carbonation of minerals in contact with carbon dioxide containing trace amounts of dissolved water. One explanation for this behavior is that addition of small amounts of H2O to CO2 leads to significant ionization within the fluid, thus promoting reactions at the fluid-solid interface analogous to corrosion associated with aqueous fluids. The extent of ionization in the bulk CO2 fluid was determined using a flow-through conductivity cell capable of detecting very low conductivities. Experiments were conducted from 298 to 473 K and 7.39 to 20 MPa with H2O concentrations up to similar to 1,600 ppmw (mole fraction of water, a parts per thousand 3.9 x 10(-3)), corresponding to the H2O solubility limit in liquid CO2 at ambient temperature. All solutions showed conductivities < 10 nS center dot cm(-1), indicating that the bulk solutions were essentially ion-free. This observation suggests that the observed corrosion and carbonation reactions are not the result of ionization in CO2-rich bulk phase, but does not preclude ionization in the fluid at the fluid-solid interface. C1 [Capobianco, Ryan M.; Bodnar, Robert J.; Rimstidt, J. Donald] Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. [Gruszkiewicz, Miroslaw S.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Gruszkiewicz, MS (reprint author), Oak Ridge Natl Lab, Div Chem Sci, MS-6110,POB 2008, Oak Ridge, TN 37831 USA. EM gruszkiewicz@ornl.gov RI Gruszkiewicz, Miroslaw/L-2389-2016 OI Gruszkiewicz, Miroslaw/0000-0002-6551-6724 FU ORNL's part of the Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC05-00OR22725]; Oak Ridge National Laboratory; National Science Foundation Graduate Research Fellowship [DGE-0822220] FX The authors wish to thank Jacques Pironon and three unnamed reviewers for critical reviews of this manuscript and Matthew Steele-MacInnis for useful discussions and assistance with calculations. This material is based upon work supported as ORNL's part of the Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under contract DE-AC05-00OR22725, Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship under Grant No. DGE-0822220. Any opinion, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation. NR 52 TC 3 Z9 3 U1 7 U2 23 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0095-9782 EI 1572-8927 J9 J SOLUTION CHEM JI J. Solut. Chem. PD MAY PY 2015 VL 44 IS 5 SI SI BP 934 EP 962 DI 10.1007/s10953-014-0219-7 PG 29 WC Chemistry, Physical SC Chemistry GA CJ1HP UT WOS:000355235000005 ER PT J AU Ahn, S Zhu, WD Dong, C Le, L Hwang, YH Kim, BJ Ren, F Pearton, SJ Lind, AG Jones, KS Kravchenko, II Zhang, ML AF Ahn, Shihyun Zhu, Weidi Dong, Chen Le, Lingcong Hwang, Ya-Hsi Kim, Byung-Jae Ren, Fan Pearton, Stephen J. Lind, Aaron G. Jones, Kevin S. Kravchenko, I. I. Zhang, Ming-Lan TI Study of the effects of GaN buffer layer quality on the dc characteristics of AlGaN/GaN high electron mobility transistors SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID FIELD-EFFECT TRANSISTORS; THICKNESS AB The effect of buffer layer quality on dc characteristics of AlGaN/GaN high electron mobility (HEMTs) was studied. AlGaN/GaN HEMT structures with 2 and 5 mu m GaN buffer layers on sapphire substrates from two different vendors with the same Al concentration of AlGaN were used. The defect densities of HEMT structures with 2 and 5 mu m GaN buffer layer were 7 x 10(9) and 5 x 10(8) cm(-2), respectively, as measured by transmission electron microscopy. There was little difference in drain saturation current or in transfer characteristics in HEMTs on these two types of buffer. However, there was no dispersion observed on the nonpassivated HEMTs with 5 mu m GaN buffer layer for gate-lag pulsed measurement at 100 kHz, which was in sharp contrast to the 71% drain current reduction for the HEMT with 2 mu m GaN buffer layer. (C) 2015 American Vacuum Society. C1 [Ahn, Shihyun; Zhu, Weidi; Dong, Chen; Le, Lingcong; Hwang, Ya-Hsi; Kim, Byung-Jae; Ren, Fan] Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA. [Pearton, Stephen J.; Lind, Aaron G.; Jones, Kevin S.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. [Kravchenko, I. I.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. [Zhang, Ming-Lan] Hebei Univ Technol, Dept Elect Sci & Technol, Tianjin 300401, Peoples R China. RP Ahn, S (reprint author), Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA. EM fren@che.ufl.edu RI Kravchenko, Ivan/K-3022-2015 OI Kravchenko, Ivan/0000-0003-4999-5822 FU U.S. DOD HDTRA [1-11-1-0020]; NSF [ECCS-1445720] FX The work performed at UF was supported by an U.S. DOD HDTRA Grant No. 1-11-1-0020 monitored by James Reed and a NSF Grant No. ECCS-1445720 monitored by John Zavada. The authors would like to thank Ajit Paranjpe for materials support. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. NR 15 TC 0 Z9 0 U1 0 U2 14 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD MAY PY 2015 VL 33 IS 3 AR 031210 DI 10.1116/1.4918715 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA CI8HJ UT WOS:000355011700029 ER PT J AU Hwang, YH Ahn, S Dong, C Zhu, WD Kim, BJ Le, L Ren, F Lind, AG Dahl, J Jones, KS Pearton, SJ Kravchenko, II Zhang, ML AF Hwang, Ya-Hsi Ahn, Shihyun Dong, Chen Zhu, Weidi Kim, Byung-Jae Le, Lingcong Ren, Fan Lind, Aaron G. Dahl, James Jones, Kevin S. Pearton, Stephen J. Kravchenko, Ivan I. Zhang, Ming-Lan TI Degradation mechanisms of Ti/Al/Ni/Au-based Ohmic contacts on AlGaN/GaN HEMTs SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID ETCH RATES AB The degradation mechanism of Ti/Al/Ni/Au-based Ohmic metallization on AlGaN/GaN high electron mobility transistors upon exposure to buffer oxide etchant (BOE) was investigated. The major effect of BOE on the Ohmic metal was an increase of sheet resistance from 2.89 to 3.69 Omega/square after 3min BOE treatment. The alloyed Ohmic metallization consisted 3-5 mu m Ni-Al alloy islands surrounded by Au-Al alloy-rings. The morphology of both the islands and ring areas became flatter after BOE etching. Energy dispersive x-ray analysis and Auger electron microscopy were used to analyze the compositions and metal distributions in the metal alloys prior to and after BOE exposure. (C) 2015 American Vacuum Society. C1 [Hwang, Ya-Hsi; Ahn, Shihyun; Dong, Chen; Zhu, Weidi; Kim, Byung-Jae; Le, Lingcong; Ren, Fan] Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA. [Lind, Aaron G.; Dahl, James; Jones, Kevin S.; Pearton, Stephen J.] Univ Florida, Mat Sci & Engn, Gainesville, FL 32611 USA. [Kravchenko, Ivan I.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA. [Zhang, Ming-Lan] Hebei Univ Technol, Dept Elect Sci & Technol, Tianjin 300401, Peoples R China. RP Hwang, YH (reprint author), Univ Florida, Dept Chem Engn, Gainesville, FL 32611 USA. EM fren@che.ufl.edu RI Kravchenko, Ivan/K-3022-2015 OI Kravchenko, Ivan/0000-0003-4999-5822 FU U.S. DOD HDTRA [1-11-1-0020]; NSF [ECCS-1445720] FX The work performed at UF is supported by an U.S. DOD HDTRA Grant No. 1-11-1-0020 monitored by James Reed and a NSF Grant No. ECCS-1445720 monitored by John Zavada. A portion of this research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. The authors would like to thank Pat McKeown in Evans Analytical Group for very fruitful discussion of Auger results. NR 10 TC 2 Z9 3 U1 0 U2 10 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD MAY PY 2015 VL 33 IS 3 AR 031212 DI 10.1116/1.4919237 PG 6 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA CI8HJ UT WOS:000355011700031 ER PT J AU Klebanoff, LE Geller, AS Torczynski, JR Gallis, MA Rader, DJ Chilese, FC Garcia, RF Delgado, G AF Klebanoff, Leonard E. Geller, Anthony S. Torczynski, John R. Gallis, Michael A. Rader, Daniel J. Chilese, Frank C. Garcia, Rudy F. Delgado, Gil TI Protection of extreme ultraviolet lithography masks. I. Thermophoretic protection factors at low pressure for diffusing nanoscale particles SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID PARALLEL-PLATE REACTORS; AEROSOL FLOW; EUVL MASKS; TRANSPORT; SCHEMES; CONTAMINATION; VERIFICATION; DEPOSITION AB Model calculations are presented for thermophoretic protection of an extreme ultraviolet (EUV) mask placed face down in an EUV mask inspection tool. The protection factors, defined as the ratio of challenge particles to deposited particles, are calculated for a variety of test conditions (temperature gradient, gas type, particle density, and particle position) for a reticle bathed in clean gas from a facing showerhead. Thermophoretic protection (in combination with gravity) provides robust protection for particle sizes greater than similar to 20 nm. However, for particle sizes less than similar to 20 nm, protection falters quickly and is severely degraded for highly diffusing 10 nm particles that are of concern for mask contamination. Estimates are made for the required level of particle protection in both EUV mask inspection and EUV projection lithography. When compared with these estimates for the required protection, it is clear that thermophoresis alone cannot successfully defend against particles smaller than similar to 20 nm, and must be augmented or replaced by another approach. Initial calculations are presented that suggest a cross-cutting gas flow, in combination with thermophoresis and a face-down mask orientation, can successfully protect mask surfaces from particle deposition for particles with 10 nm diameter or greater, motivating more detailed calculations of flow-based mask protection in a companion paper Part II. (C) 2015 American Vacuum Society. C1 [Klebanoff, Leonard E.] Sandia Natl Labs, Livermore, CA 94551 USA. [Geller, Anthony S.; Torczynski, John R.; Gallis, Michael A.; Rader, Daniel J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Chilese, Frank C.; Garcia, Rudy F.; Delgado, Gil] KLA Tencor Corp, Milpitas, CA 95035 USA. RP Klebanoff, LE (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM lekleba@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Dan Wack (KLA-Tencor), John Goldsmith (Sandia), and Neal Fornaciari (Sandia) for helpful conversations. This work originates from the KLA-Tencor/Sandia CRADA 1785.03. 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 37 TC 1 Z9 1 U1 2 U2 10 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD MAY PY 2015 VL 33 IS 3 AR 031601 DI 10.1116/1.4916210 PG 10 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA CI8HJ UT WOS:000355011700034 ER PT J AU Klebanoff, LE Torczynski, JR Geller, AS Gallis, MA Rader, DJ Chilese, FC Garcia, RF Delgado, G AF Klebanoff, Leonard E. Torczynski, John R. Geller, Anthony S. Gallis, Michael A. Rader, Daniel J. Chilese, Frank C. Garcia, Rudy F. Delgado, Gil TI Protection of extreme ultraviolet lithography masks. II. Showerhead flow mitigation of nanoscale particulate contamination SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID BOUNDARY-CONDITION; DIFFUSION; TRANSPORT AB An analysis is presented of a method to protect the reticle (mask) in an extreme ultraviolet (EUV) mask inspection tool using a showerhead plenum to provide a continuous flow of clean gas over the surface of a reticle. The reticle is suspended in an inverted fashion (face down) within a stage/holder that moves back and forth over the showerhead plenum as the reticle is inspected. It is essential that no particles of 10-nm diameter or larger be deposited on the reticle during inspection. Particles can originate from multiple sources in the system, and mask protection from each source is explicitly analyzed. The showerhead plate has an internal plenum with a solid conical wall isolating the aperture. The upper and lower surfaces of the plate are thin flat sheets of porous-metal material. These porous sheets form the top and bottom showerheads that supply the region between the showerhead plate and the reticle and the region between the conical aperture and the Optics Zone box with continuous flows of clean gas. The model studies show that the top showerhead provides robust reticle protection from particles of 10-nm diameter or larger originating from the Reticle Zone and from plenum surfaces contaminated by exposure to the Reticle Zone. Protection is achieved with negligible effect on EUV transmission. The bottom showerhead efficiently protects the reticle from nanoscale particles originating from the Optics Zone. With similar mass flow rates from the two showerheads, this system provides efficient protection even when a significant overpressure exists between the Optics Zone and the Reticle Zone. Performance is insensitive to the fraction of incident particles that sticks to walls, the accommodation coefficient, the aperture geometry, and the gas pressure. The showerheads also protect the aperture (and therefore the Optics Zone) during mask loading and unloading. Commercially available porous-metal media have properties suitable for these showerheads at the required flow rates. The benefits of the approach compared to a conceptual EUV pellicle are described. (C) 2015 American Vacuum Society. C1 [Klebanoff, Leonard E.] Sandia Natl Labs, Livermore, CA 94551 USA. [Torczynski, John R.; Geller, Anthony S.; Gallis, Michael A.; Rader, Daniel J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Chilese, Frank C.; Garcia, Rudy F.; Delgado, Gil] KLA Tencor Corp, Milpitas, CA 95035 USA. RP Klebanoff, LE (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM lekleba@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Kenneth Rubow, Mott Corporation, for many helpful technical discussions and for providing experimentally inferred values of the Klinkenberg parameter for nitrogen flowing through all grades of Mott porous-metal media. The authors also thank Dan Wack (KLA-Tencor), John Goldsmith (Sandia) and Neal Fornaciari (Sandia) for helpful conversations. 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 20 TC 0 Z9 0 U1 3 U2 13 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD MAY PY 2015 VL 33 IS 3 AR 031602 DI 10.1116/1.4916212 PG 21 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA CI8HJ UT WOS:000355011700035 ER PT J AU Dey, SS Foley, JE Limsirichai, P Schaffer, DV Arkin, AP AF Dey, Siddharth S. Foley, Jonathan E. Limsirichai, Prajit Schaffer, David V. Arkin, Adam P. TI Orthogonal control of expression mean and variance by epigenetic features at different genomic loci SO MOLECULAR SYSTEMS BIOLOGY LA English DT Article DE chromatin environment; gene expression noise; single-cell biology; single-molecule RNA FISH ID STOCHASTIC GENE-EXPRESSION; SINGLE-CELL; HIV-1 INTEGRATION; BIOLOGICAL NOISE; PROMOTER; REVEALS; TRANSCRIPTION; ORGANIZATION; KINETICS; DRUG AB While gene expression noise has been shown to drive dramatic phenotypic variations, the molecular basis for this variability in mammalian systems is not well understood. Gene expression has been shown to be regulated by promoter architecture and the associated chromatin environment. However, the exact contribution of these two factors in regulating expression noise has not been explored. Using a dual-reporter lentiviral model system, we deconvolved the influence of the promoter sequence to systematically study the contribution of the chromatin environment at different genomic locations in regulating expression noise. By integrating a large-scale analysis to quantify mRNA levels by smFISH and protein levels by flow cytometry in single cells, we found that mean expression and noise are uncorrelated across genomic locations. Furthermore, we showed that this independence could be explained by the orthogonal control of mean expression by the transcript burst size and noise by the burst frequency. Finally, we showed that genomic locations displaying higher expression noise are associated with more repressed chromatin, thereby indicating the contribution of the chromatin environment in regulating expression noise. C1 [Dey, Siddharth S.; Schaffer, David V.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Dey, Siddharth S.; Schaffer, David V.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Dey, Siddharth S.; Schaffer, David V.] Univ Calif Berkeley, Inst Quantitat Biosci, Berkeley, CA 94720 USA. [Foley, Jonathan E.; Schaffer, David V.; Arkin, Adam P.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Limsirichai, Prajit] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Schaffer, David V.; Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Virtual Inst Microbial Stress & Survival, Berkeley, CA 94720 USA. [Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, DOE, Berkeley, CA 94720 USA. RP Schaffer, DV (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM schaffer@berkeley.edu; aparkin@lbl.gov RI Arkin, Adam/A-6751-2008 OI Arkin, Adam/0000-0002-4999-2931 FU NIH [R01-GM073058] FX We thank Hector Nolla and Alma Valeros for assistance with cell sorting at the UC Berkeley Flow Cytometry Core Facility. This work was supported by the NIH grant R01-GM073058 to APA and DVS. NR 55 TC 13 Z9 13 U1 2 U2 11 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1744-4292 J9 MOL SYST BIOL JI Mol. Syst. Biol. PD MAY PY 2015 VL 11 IS 5 AR 806 PG 14 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CJ2AH UT WOS:000355286000001 PM 25943345 ER PT J AU Keszenman, DJ Kolodiuk, L Baulch, JE AF Keszenman, Deborah J. Kolodiuk, Lucia Baulch, Janet E. TI DNA damage in cells exhibiting radiation-induced genomic instability SO MUTAGENESIS LA English DT Article ID DOUBLE-STRAND BREAKS; BASE EXCISION-REPAIR; IONIZING-RADIATION; CHROMOSOMAL INSTABILITY; OXIDATIVE STRESS; BIOLOGICAL CONSEQUENCES; HYDROGEN-PEROXIDE; LESIONS; CANCER; MECHANISMS AB Cells exhibiting radiation-induced genomic instability exhibit varied spectra of genetic and chromosomal aberrations. Even so, oxidative stress remains a common theme in the initiation and/or perpetuation of this phenomenon. Isolated oxidatively modified bases, abasic sites, DNA single strand breaks and clustered DNA damage are induced in normal mammalian cultured cells and tissues due to endogenous reactive oxygen species generated during normal cellular metabolism in an aerobic environment. While sparse DNA damage may be easily repaired, clustered DNA damage may lead to persistent cytotoxic or mutagenic events that can lead to genomic instability. In this study, we tested the hypothesis that DNA damage signatures characterised by altered levels of endogenous, potentially mutagenic, types of DNA damage and chromosomal breakage are related to radiation-induced genomic instability and persistent oxidative stress phenotypes observed in the chromosomally unstable progeny of irradiated cells. The measurement of oxypurine, oxypyrimidine and abasic site endogenous DNA damage showed differences in non-double-strand breaks (DSB) clusters among the three of the four unstable clones evaluated as compared to genomically stable clones and the parental cell line. These three unstable clones also had increased levels of DSB clusters. The results of this study demonstrate that each unstable cell line has a unique spectrum of persistent damage and lead us to speculate that alterations in DNA damage signaling and repair may be related to the perpetuation of genomic instability. C1 [Keszenman, Deborah J.] Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA. [Keszenman, Deborah J.] UdelaR, CENUR Noroeste, Dept Biol Sci, Lab Med & Environm Radiobiol,Biophys Chem Grp, Salto 50000, Uruguay. [Kolodiuk, Lucia] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Baulch, Janet E.] Univ Calif Irvine, Dept Radiat Oncol, Med Sci 1, Irvine, CA 92697 USA. RP Keszenman, DJ (reprint author), Brookhaven Natl Lab, Dept Biosci, 50 Bell Ave, Upton, NY 11973 USA. EM keszenman@unorte.edu.uy FU NASA [NNX13AK69G, NNX13AK70G]; U.S. Department of Energy [DE-AC02-98CH10886]; BNL LDRD [12-012] FX This work was supported by NASA Grants NNX13AK69G and NNX13AK70G to J.E.B. A portion of this article has been authored by Brookhaven Science Associates, LLC under contract DE-AC02-98CH10886 with the U.S. Department of Energy and was funded by BNL LDRD 12-012 (Deborah Keszenman/Paul F. Wilson). NR 54 TC 1 Z9 1 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0267-8357 EI 1464-3804 J9 MUTAGENESIS JI Mutagenesis PD MAY PY 2015 VL 30 IS 3 BP 451 EP 458 DI 10.1093/mutage/gev006 PG 8 WC Genetics & Heredity; Toxicology SC Genetics & Heredity; Toxicology GA CJ2MB UT WOS:000355317800016 PM 25711497 ER PT J AU Li, J Yu, KY Chen, Y Song, M Wang, H Kirk, MA Li, M Zhang, X AF Li, J. Yu, K. Y. Chen, Y. Song, M. Wang, H. Kirk, M. A. Li, M. Zhang, X. TI In Situ Study of Defect Migration Kinetics and Self-Healing of Twin Boundaries in Heavy Ion Irradiated Nanotwinned Metals SO NANO LETTERS LA English DT Article DE Nanotwinned Ag; in situ radiation; defect migration kinetics; self-healing ID DISPLACEMENT CASCADES; HELIUM IMPLANTATION; MOLECULAR-DYNAMICS; DISLOCATION LOOPS; GRAIN-BOUNDARIES; RADIATION-DAMAGE; NANOLAYERS; ENERGY; CU AB High energy particles introduce severe radiation damage in metallic materials, such as Ag. Here we report On the study on twin boundary (TB) affected zone in irradiated nanotwinned Ag wherein time accumulative defect density and defect diffusivity are substantially different from those in twin interior. In situ studies also reveal surprising resilience and self healing of TBs in response to radiation: This study provides further support for the design of radiation-tolerant twinned metallic materials. C1 [Li, J.; Chen, Y.; Song, M.; Zhang, X.] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA. [Zhang, X.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. [Yu, K. Y.] China Univ Petr, Dept Mat Sci & Engn, Beijing 102249, Peoples R China. [Wang, H.] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. [Kirk, M. A.; Li, M.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Zhang, X (reprint author), Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA. EM zhangx@tamu.edu RI Yu, Kaiyuan /B-8398-2014; Chen, Youxing/P-5006-2016 OI Yu, Kaiyuan /0000-0002-5442-2992; Chen, Youxing/0000-0003-1111-4495 FU NSF-DMR-Metallic Materials and Nanostructures Program [1304101]; NSF-CMMI [1161978]; DOE-OBES [DE-SC0010482]; CUPB [2462014 YJRC019] FX We acknowledge financial support by NSF-DMR-Metallic Materials and Nanostructures Program under grant no. 1304101. YC is supported financially by NSF-CMMI 1161978. KY Yu and the work on fabrication of nanotwinned metal are supported by DOE-OBES under grant no. DE-SC0010482. KY Yu acknowledges financial support by CUPB under grant no. 2462014 YJRC019. We also thank Peter M. Baldo and Edward A. Ryan at Argonne National Laboratory for their help during in situ irradiation experiments. The IVEM facility at Argonne National Laboratory is supported by DOE-Office of Nuclear Energy. Access to the DOE - Center for Integrated Nanotechnologies (CINT) at Los Alamos and Sandia National Laboratories and Microscopy and Imaging Center at Texas A&M University is equally acknowledged. NR 38 TC 14 Z9 14 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 MAY PY 2015 VL 15 IS 5 BP 2922 EP 2927 DI 10.1021/nl504677z 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 CI6WX UT WOS:000354906000023 PM 25768722 ER PT J AU Hill, HM Rigosi, AF Roquelet, C Chernikov, A Berkelbach, TC Reichman, DR Hybertsen, MS Brus, LE Heinz, TF AF Hill, Heather M. Rigosi, Albert F. Roquelet, Cyrielle Chernikov, Alexey Berkelbach, Timothy C. Reichman, David R. Hybertsen, Mark S. Brus, Louis E. Heinz, Tony F. TI Observation of Excitonic Rydberg States in Monolayer MoS2 and WS2 by Photoluminescence Excitation Spectroscopy SO NANO LETTERS LA English DT Article DE Transition metal dichalcogenides; molybdenum disulfide; tungsten disulfide; 2D materials; binding energy; excitons ID TRANSITION-METAL DICHALCOGENIDES; CHEMICAL-VAPOR-DEPOSITION; MOLYBDENUM-DISULFIDE; VALLEY POLARIZATION; ATOMIC LAYERS; HETEROSTRUCTURES; SEMICONDUCTOR; GROWTH; WSE2; GAP AB We have identified excited exciton states in monolayers of MoS2 and WS2 supported on fused silica by means of photoluminescence excitation spectroscopy. In monolayer WS2, the positions of the excited A exciton states imply an exciton binding energy of 0.32 eV. In monolayer MoS2, excited exciton transitions are observed at energies of 2.24 and 2.34 eV. Assigning these states to the B exciton Rydberg series yields an exciton binding energy of 0.44 eV. C1 [Hill, Heather M.; Rigosi, Albert F.; Roquelet, Cyrielle; Chernikov, Alexey; Heinz, Tony F.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Hill, Heather M.; Rigosi, Albert F.; Roquelet, Cyrielle; Chernikov, Alexey; Heinz, Tony F.] Columbia Univ, Dept Elect Engn, New York, NY 10027 USA. [Berkelbach, Timothy C.; Reichman, David R.; Brus, Louis E.] 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@columbia.edu RI Heinz, Tony/K-7797-2015; OI Heinz, Tony/0000-0003-1365-9464; Hybertsen, Mark S/0000-0003-3596-9754 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001085]; AMOS program within the Chemical Sciences, Geosciences, and Biosciences Division, Basic Energy Sciences, Office of Science, U.S. Department of Energy; National Science Foundation [DMR-1122594]; NSF through an IGERT [DGE-1069240]; Keck Foundation; Alexander von Humboldt Foundation through a Feodor Lynen Research Fellowship; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886, DE-AC05-06OR23100] FX We would like to thank Dr. Christophe Voisin for helpful discussions. This work was made possible by the Center for Redefining Photovoltaic Efficiency through Molecule Scale Control, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Grant DE-SC0001085, with research at SLAC National Accelerator Laboratory supported by the AMOS program within the Chemical Sciences, Geosciences, and Biosciences Division, Basic Energy Sciences, Office of Science, U.S. Department of Energy. Additional support was provided by the National Science Foundation through Grant DMR-1122594. H.M.H. and A.F.R. were supported by the NSF through an IGERT Fellowship under Grant DGE-1069240 and through a Graduate Research Fellowship, respectively. C.R. acknowledges support from the Keck Foundation and A.C. from the Alexander von Humboldt Foundation through a Feodor Lynen Research Fellowship. The theoretical studies were supported by U.S. Department of Energy, Office of Basic Energy Sciences and were carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory through Contract No. DE-AC02-98CH10886 (M.S.H) and at Columbia University through Grant DE-AC05-06OR23100 (T.C.B.). NR 57 TC 53 Z9 53 U1 25 U2 201 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 MAY PY 2015 VL 15 IS 5 BP 2992 EP 2997 DI 10.1021/nl504868p 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 CI6WX UT WOS:000354906000034 PM 25816155 ER PT J AU Yuan, YF Nie, AM Odegard, GM Xu, R Zhou, DH Santhanagopalan, S He, K Asayesh-Ardakani, H Meng, DD Klie, RF Johnson, C Lu, J Shahbazian-Yassar, R AF Yuan, Yifei Nie, Anmin Odegard, Gregory M. Xu, Rui Zhou, Dehua Santhanagopalan, Sunand He, Kun Asayesh-Ardakani, Hasti Meng, Dennis Desheng Klie, Robert F. Johnson, Christopher Lu, Jun Shahbazian-Yassar, Reza TI Asynchronous Crystal Cell Expansion during Lithiation of K+-Stabilized alpha-MnO2 SO NANO LETTERS LA English DT Article DE in-situ TEM; Li-ion batteries; MnO2; nanowires; tunneled structure ID LITHIUM-ION BATTERIES; ENERGY-LOSS SPECTROSCOPY; IN-SITU; MANGANESE-DIOXIDE; ELECTROCHEMICAL LITHIATION; NANOSTRUCTURED MNO2; ELECTRON-MICROSCOPY; OXIDE ELECTRODES; HIGH-VOLTAGE; CRYPTOMELANE AB alpha-MnO2 is a promising material for Li-ion batteries and has unique tunneled structure that facilitates the diffusion of Li+. The overall electrochemical performance of a-MnO2 is determined by the tunneled structure stability during its interaction with Li+, the mechanism of which is, however, poorly understood. In this paper, a novel tetragonal-orthorhombic-tetragonal symmetric transition during lithiation of K+-stabilized a-MnO2 is observed using in situ transmission electron microscopy. Atomic resolution imaging indicated that 1 x 1 and 2 x 2 tunnels exist along c ([001]) direction of the nanowire. The morphology of a partially lithiated nanowire observed in the ?100? projection is largely dependent on crystallographic orientation ([100] or [010]), indicating the existence of asynchronous expansion of alpha-MnO(2)s tetragonal unit cell along a and b lattice directions, which results in a tetragonal-orthorhombic-tetragonal (TOT) symmetric transition upon lithiation. Such a TOT transition is confirmed by diffraction analysis and Mn valence quantification. Density functional theory (DFT) confirms that Wyckoff 8h sites inside 2 x 2 tunnels are the preferred sites for Li+ occupancy. The sequential Li+ filling at 8h sites leads to asynchronous expansion and symmetry degradation of the host lattice as well as tunnel instability upon lithiation. These findings provide fundamental understanding for appearance of stepwise potential variation during the discharge of Li/alpha-MnO2 batteries as well as the origin for low practical capacity and fast capacity fading of alpha-MnO2 as an intercalated electrode. C1 [Yuan, Yifei; He, Kun] Michigan Technol Univ, Dept Mat Sci & Engn, Houghton, MI 49931 USA. [Yuan, Yifei; Xu, Rui; Zhou, Dehua; Johnson, Christopher; Lu, Jun] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Nie, Anmin; Odegard, Gregory M.; Santhanagopalan, Sunand; Asayesh-Ardakani, Hasti; Meng, Dennis Desheng; Shahbazian-Yassar, Reza] Michigan Technol Univ, Dept Mech Engn, Houghton, MI 49931 USA. [Santhanagopalan, Sunand; Meng, Dennis Desheng] Univ Texas Arlington, Dept Mech & Aerosp Engn, Arlington, TX 76019 USA. [He, Kun] Shandong Univ, Dept Mat Sci & Engn, Jinan 250061, Peoples R China. [Klie, Robert F.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. RP Nie, AM (reprint author), Michigan Technol Univ, Dept Mech Engn, 1400 Townsend Dr, Houghton, MI 49931 USA. EM anie@mtu.edu; reza@mtu.edu RI Nie, Anmin/N-7859-2014 OI Nie, Anmin/0000-0002-0180-1366 FU National Science Foundation [CMMI-1200383, DMR-1410560, CMMI-1439494, DMR-0959470]; American Chemical Society-Petroleum Research Fund [51458-ND10] FX R. Shahbazian-Yassar acknowledges the financial support from the National Science Foundation (Awards No. CMMI-1200383 and DMR-1410560) and the American Chemical Society-Petroleum Research Fund (Award No. 51458-ND10). D. Meng acknowledges the financial support from the National Science Foundation (Awards No. CMMI-1439494). The acquisition of the UIC JEOL JEM-ARM200CF is supported by an MRI-R2 grant from the National Science Foundation (Award No. DMR-0959470). Thanks Dr. Alan Nicholls and Dr. Ke-Bin Low from RRC of UIC for the assistance on TEM sample preparation. SUPERIOR, a high-performance computing cluster at Michigan Technological University, was used in obtaining some of results presented in this publication. Thanks to Dr. Yang Ren from the Advanced Photon Source (APS) beamline 11-ID-C (Argonne National Laboratory) for the directions to carry out the in situ synchrotron XRD experiment and subsequent data analysis. NR 58 TC 22 Z9 22 U1 20 U2 127 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 MAY PY 2015 VL 15 IS 5 BP 2998 EP 3007 DI 10.1021/nl5048913 PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CI6WX UT WOS:000354906000035 PM 25871572 ER PT J AU Gui, ZG Wang, LW Bellaiche, L AF Gui, Zhigang Wang, Lin-Wang Bellaiche, L. TI Electronic Properties of Electrical Vortices in Ferroelectric Nanocomposites from Large-Scale Ab Initio Computations SO NANO LETTERS LA English DT Article DE Topological defect; electrical vortex; conductivity; nanocomposite; band alignment; linear scaling method ID SINGLE-CRYSTAL BATIO3; PHASE-TRANSITIONS; PEROVSKITES; CLOSURE; NANORODS; SRTIO3; ENERGY AB An original ab initio procedure is developed and applied to a ferroelectric nanocomposite, in order to reveal the effect of electrical vortices on electronic properties. Such procedure involves the combination of two large-scale numerical schemes, namely, the effective Hamiltonian (to incorporate ionic degrees of freedom) and the linear-scaling three-dimensional fragment method (to treat electronic degrees of freedom). The use of such procedure sheds some light into the origin of the recently observed current that is activated at rather low voltages in systems possessing electrical vortices. It also reveals a novel electronic phenomena that is a systematic control of the type of the band-alignment (i.e., type I versus type II) within the same material via the temperature-driven annihilation/formation of electrical topological defects. C1 [Gui, Zhigang; Bellaiche, L.] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA. [Gui, Zhigang; Bellaiche, L.] Univ Arkansas, Inst Nanosci & Engn, Fayetteville, AR 72701 USA. [Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Gui, ZG (reprint author), Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA. EM zgui@email.uark.edu FU ARO [W911NF-12-1-0085]; Department of Energy, Office of Basic Energy Sciences [ER-46612]; Theory of Material project by Office of Science (SC), Basic Energy Science (BES)/Materials Science and Engineering Division (MSED) of the U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; MRI grant from NSF [0722625]; MRI-R2 grant from NSF [0959124]; CI-TRAIN grant from NSF [0918970] FX This work is financially supported by ARO Grant W911NF-12-1-0085 (Z.G.) and the Department of Energy, Office of Basic Energy Sciences, under contract ER-46612 (L.B.). L.-W.W. is supported through the Theory of Material project by the Director, Office of Science (SC), Basic Energy Science (BES)/Materials Science and Engineering Division (MSED) of the U.S. Department of Energy (DOE) under the contract No. DE-AC02-05CH11231. The computations were performed using resources of the Oak Ridge Leadership Computing Facility (OLCF) with the computer time allocated by Innovative and Novel Computational Impact on Theory and Experiment project. Some computations were also made possible thanks to the MRI grant 0722625, MRI-R2 grant 0959124, and CI-TRAIN grant 0918970 from NSF. NR 51 TC 4 Z9 4 U1 5 U2 31 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 MAY PY 2015 VL 15 IS 5 BP 3224 EP 3229 DI 10.1021/acs.nanolett.5b00307 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 CI6WX UT WOS:000354906000067 PM 25830817 ER PT J AU Zhang, YJ Zherebetskyy, D Bronstein, ND Barja, S Lichtenstein, L Schuppisser, D Wang, LW Alivisatos, AP Sameron, M AF Zhang, Yingjie Zherebetskyy, Danylo Bronstein, Noah D. Barja, Sara Lichtenstein, Leonid Schuppisser, David Wang, Lin-Wang Alivisatos, A. Paul Sameron, Miquel TI Charge Percolation Pathways Guided by Defects in Quantum Dot Solids SO NANO LETTERS LA English DT Article DE Quantum dot; charge transport; charge percolation; defect; in-gap states; Kelvin probe force microscopy ID NANOCRYSTAL SOLIDS; ELECTRICAL-PROPERTIES; BUILDING-BLOCKS; FILMS; PBSE; TRANSPORT; CONDUCTION; PHOTOVOLTAICS; PERFORMANCE; TRANSISTORS AB Charge hopping and percolation in quantum : dot (QD) solids has been widely studied, but the microscopic percolation pathways in two-dimensional PbS QD arrays using kelvin probe force microscopy (KPFM). We show that under dark conditions electrons percolate via in gap states (IGS) instead of the conduction band, while holes percolate via nature of the percolation process is not understood or determined. Here we present the first imaging of the charge valence band states. This novel transport behavior is explained by the electronic structure and energy level alignment of the individual QDs, Which was measured by scanning tunneling spectroscopy (STS). Chemical treatments with hydrazine can remove the IGS, resulting in an intrinsic defect-free semiconductor, as revealed by STS and surface potential spectroscopy. The control over IGS can guide the design of novel electronic devices with impurity conduction, and photodiodes with controlled doping. C1 [Zhang, Yingjie] Univ Calif Berkeley, Appl Sci & Technol Grad Program, Berkeley, CA 94720 USA. [Zhang, Yingjie; Zherebetskyy, Danylo; Barja, Sara; Lichtenstein, Leonid; Schuppisser, David; Wang, Lin-Wang; Alivisatos, A. Paul; Sameron, Miquel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Bronstein, Noah D.; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Alivisatos, A. Paul; Sameron, Miquel] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Alivisatos, A. Paul] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. RP Sameron, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM mbsalmeron@lbl.gov RI Barja, Sara/M-5676-2015; Foundry, Molecular/G-9968-2014; Alivisatos , Paul /N-8863-2015 OI Barja, Sara/0000-0002-4257-2651; Alivisatos , Paul /0000-0001-6895-9048 FU "Self-Assembly of Organic/Inorganic Nanocomposite Materials" program, Office of Science, the Office of Basic Energy Sciences (BES), Materials Sciences and Engineering (MSE) Division of the U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; European Union [FP7-PEOPLE-2012-IOF-327581]; Alexander van Humboldt Foundation FX The authors thank Q. Chen for discussion of the manuscript. We also thank J. M. Lucas for nanocrystal synthesis and A. Pun for OTS deposition. We thank E. H. Sargent for discussion on photovoltaic applications. This work was supported by the "Self-Assembly of Organic/Inorganic Nanocomposite Materials" program, Office of Science, the Office of Basic Energy Sciences (BES), Materials Sciences and Engineering (MSE) Division of the U.S. Department of Energy (DOE) under Contract No. DE-AC02-05CH11231. It used resources of the Molecular Foundry, a DOE Office of Science user facility. S.B. acknowledges fellowship support by the European Union under FP7-PEOPLE-2012-IOF-327581. L.L. acknowledges support from the Alexander van Humboldt Foundation. NR 39 TC 18 Z9 18 U1 7 U2 54 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 MAY PY 2015 VL 15 IS 5 BP 3249 EP 3253 DI 10.1021/acs.nanolett.5b00454 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 CI6WX UT WOS:000354906000071 PM 25844919 ER PT J AU O'Hern, SC Jang, D Bose, S Idrobo, JC Song, Y Laoui, T Kong, J Karnik, R AF O'Hern, Sean C. Jang, Doojoon Bose, Suman Idrobo, Juan-Carlos Song, Yi Laoui, Tahar Kong, Jing Karnik, Rohit TI Nanofiltration across Defect-Sealed Nanoporous Monolayer Graphene SO NANO LETTERS LA English DT Article DE Molecular sieve; filter; membrane; desalination; reverse osmosis; forward osmosis ID ATOMIC LAYER DEPOSITION; POROUS GRAPHENE; INTERFACIAL POLYCONDENSATION; INTRINSIC DEFECTS; WATER TRANSPORT; SINGLE-LAYER; MEMBRANES; DESALINATION; PERMEATION AB Monolayer nanoporous graphene represents an ideal membrane for molecular separations, but its practical realization is impeded by leakage through defects in the ultrathin graphene. Here, we report a multiscale leakagesealing process that exploits the nonpolar nature and impermeability of pristine graphene to selectively block defects, resulting in a centimeter-scale membrane that can separate two fluid reservoirs by an atomically thin layer of graphene. After introducing subnanometer pores in graphene, the membrane exhibited rejection of multivalent ions and small molecules and water flux consistent with prior molecular dynamics simulations. The results indicate the feasibility of constructing defect-tolerant monolayer graphene membranes for nanofiltration, desalination, and other separation processes. C1 [O'Hern, Sean C.; Jang, Doojoon; Bose, Suman; Karnik, Rohit] MIT, Dept Mech Engn, Cambridge, MA 02139 USA. [Idrobo, Juan-Carlos] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Song, Yi; Kong, Jing] MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. [Laoui, Tahar] King Fahd Univ Petr & Minerals, Dept Mech Engn, Dhahran 31261, Saudi Arabia. RP Karnik, R (reprint author), MIT, Dept Mech Engn, Cambridge, MA 02139 USA. EM karnik@mit.edu RI Idrobo, Juan/H-4896-2015 OI Idrobo, Juan/0000-0001-7483-9034 FU King Fahd University of Petroleum and Minerals in Dhahran, Saudi Arabia, through the Center for Clean Water and Clean Energy at MIT; KFUPM [R10-CW-09]; U.S. Department of Energy, Basic Energy Sciences [DE-SC0008059]; Samsung Fellowship; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; National Science Foundation under NSF [ECS-0335765]; National Science Foundation under MIT [DMR-0819762] FX The authors thank Michael Boutilier, Tarun Jain, Nicolas Hadjiconstantinou, Muataz Atieh, Feras Kafiah, and Jongho Lee for helpful discussions. S.C.O. and D.J. were supported in part by the King Fahd University of Petroleum and Minerals in Dhahran, Saudi Arabia, through the Center for Clean Water and Clean Energy at MIT and KFUPM under project number R10-CW-09. S.C.O. was supported in part by the U.S. Department of Energy, Basic Energy Sciences, under award number DE-SC0008059. D.J. acknowledges partial support from the Samsung Fellowship. STEM imaging was supported in part by ORNL's Center for Nanophase Materials Sciences (CNMS), which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy (JCI). ALD was performed at the Center for Nanoscale Systems (CNS), a member of the National Nanotechnology Infrastructure Network (NNIN), which is supported by the National Science Foundation under NSF award no. ECS-0335765. CNS is part of Harvard University. Confocal microscopy was performed at the Keck Microscopy facility at the Whitehead Institute. Ion bombardment and SEM imaging was performed at the MRSEC Shared Experimental Facilities supported by the National Science Foundation under award number DMR-0819762 at MIT. NR 25 TC 31 Z9 31 U1 20 U2 174 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 MAY PY 2015 VL 15 IS 5 BP 3254 EP 3260 DI 10.1021/acs.nanolett.5b00456 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 CI6WX UT WOS:000354906000072 PM 25915708 ER PT J AU Lee, J Lim, J Yang, PD AF Lee, Jaeho Lim, Jongwoo Yang, Peidong TI Ballistic Phonon Transport in Holey Silicon SO NANO LETTERS LA English DT Article DE Thermal conductivity; cross-plane; heat transfer; thermoelectric; nanoporous; phononic crystals ID THERMAL-CONDUCTIVITY; NANOWIRES; HEAT; SCATTERING; LAYERS AB When the size of semiconductors is smaller than the phonon mean free path, phonons can Carry heat with no internal scattering. Ballistic phonon transport has received attention for both theoretical and practical aspects because Fourier's law of heat conduction breaks down and the heat dissipation in nanoscale transistors becomes unpredictable in the ballistic regime. While recent experiments demonstrate room-temperature evidence of ballistic phonon transport in various nanomaterials, the thermal conductivity data for silicon in the length scale of 10-100 nm is still not available due to experimental challenges. Here we show ballistic phonon transport prevails in the cross-plane direction of holey silicon from 35 to 200 nm. The thermal conductivity scales linearly with the length (thickness) even though the lateral dimension (neck) is as narrow as 20 nm. We assess the impact of long-wavelength phonons and predict a transition from ballistic to diffusive regime using scaling models. Our results support strong persistence of long-wavelength phonons in nanostructures and are useful for controlling phonon transport for thermoelectrics and potential phononic applications. C1 [Lee, Jaeho; Lim, Jongwoo; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Yang, Peidong] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Lee, Jaeho; Lim, Jongwoo; 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. [Lee, Jaeho] Univ Calif Irvine, Dept Mech & Aerosp Engn, Irvine, CA 92697 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Professor Renkun Chen, Dr. Sean Andrews, and Dr. Anthony Fu for helpful discussion. This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 33 TC 26 Z9 26 U1 16 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 MAY PY 2015 VL 15 IS 5 BP 3273 EP 3279 DI 10.1021/acs.nanolett.5b00495 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 CI6WX UT WOS:000354906000075 PM 25861026 ER PT J AU Agarwal, R Zakharov, DN Krook, NM Liu, WJ Berger, JS Stach, EA Agarwal, R AF Agarwal, Rahul Zakharov, Dmitri N. Krook, Nadia M. Liu, Wenjing Berger, Jacob S. Stach, Eric A. Agarwal, Ritesh TI Real-Time Observation of Morphological Transformations in II-VI Semiconducting Nanobelts via Environmental Transmission Electron Microscopy SO NANO LETTERS LA English DT Article DE Branched nanostructure; in situ TEM; environmental TEM; heterostructure; nanobelt ID NANOWIRES; GROWTH; ARCHITECTURE; CATALYSTS; NETWORK; PHASE; CDSE AB It has been observed that wurtzite II-VI semiconducting nanobelts transform into single-crystal, periodically branched nanostructures upon heating. The mechanism of this novel transformation has been elucidated by heating II-VI nanobelts in an environmental transmission electron microscope (ETEM) in oxidizing, reducing, and inert atmospheres while observing their structural changes with high spatial resolution. The interplay of surface reconstruction of high-energy surfaces of the wurtzite phase and environment-dependent anisotropic chemical etching of certain crystal surfaces in the branching mechanism of nanobelts has been observed. Understanding of structural and chemical transformations of materials via in situ microscopy techniques and their role in designing new nanostructured materials is discussed. C1 [Agarwal, Rahul; Krook, Nadia M.; Liu, Wenjing; Berger, Jacob S.; Agarwal, Ritesh] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Zakharov, Dmitri N.; Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Agarwal, R (reprint author), Univ Penn, Dept Mat Sci & Engn, 3231 Walnut St, Philadelphia, PA 19104 USA. EM riteshag@seas.upenn.edu RI Stach, Eric/D-8545-2011; Zakharov, Dmitri/F-4493-2014 OI Stach, Eric/0000-0002-3366-2153; FU NSF [DMR-1210503]; LRSM; NSF MRSEC [DMR-1120901]; National Institutes of Health through the NIH Director's New Innovator Award Program [1-DP2-7251-01]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0012704] FX This work was supported by NSF (DMR-1210503), seed funding from the LRSM, NSF MRSEC DMR-1120901 and the National Institutes of Health through the NIH Director's New Innovator Award Program (1-DP2-7251-01). SEM and regular TEM electron microscopy experiments were performed at the Singh Center for Nanotechnology at the University of Pennsylvania. Environmental TEM experiments were performed 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. NR 32 TC 5 Z9 5 U1 7 U2 43 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 MAY PY 2015 VL 15 IS 5 BP 3303 EP 3308 DI 10.1021/acs.nanolett.5b00520 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 CI6WX UT WOS:000354906000079 PM 25923720 ER PT J AU Xiao, J Hu, JZ Chen, HH Vijayakumar, M Zheng, JM Pan, HL Walter, ED Hu, M Deng, XC Feng, J Liaw, BY Gu, M Deng, ZD Lu, DP Xu, SC Wang, CM Liu, J AF Xiao, Jie Hu, Jian Zhi Chen, Honghao Vijayakumar, M. Zheng, Jianming Pan, Huilin Walter, Eric D. Hu, Mary Deng, Xuchu Feng, Ju Liaw, Bor Yann Gu, Meng Deng, Zhiqun Daniel Lu, Dongping Xu, Suochang Wang, Chongmin Liu, Jun TI Following the Transient Reactions in Lithium-Sulfur Batteries Using an In Situ Nuclear Magnetic Resonance Technique SO NANO LETTERS LA English DT Article DE in situ NMR; Li-S batteries; radicals; energy storage ID X-RAY-DIFFRACTION; LONG CYCLE LIFE; ELECTROCHEMICAL PROPERTIES; ABSORPTION-SPECTROSCOPY; RADICAL-ANIONS; SOLID-STATE; CATHODE; ELECTROLYTE; DISCHARGE; POLYSULFIDES AB A fundamental understanding of electrochemical reaction pathways is critical to improving the performance of Li-S batteries, but few techniques can be used to directly identify and quantify the reaction species during disharge/charge cycling processes in real time. Here, an in situ Li-7 NMR technique employing a specially designed cylindrical microbattery was used to probe the transient electrochemical and chemical reactions occurring during the cycling of a Li-S system. In situ NMR provides real time, semiquantitative information related to the temporal evolution of lithium polysulfide allotropes during both discharge/charge processes. This technique uniquely reveals that the polysulfide redox reactions involve charged free radicals as intermediate species that are difficult to detect in ex situ NMR studies. Additionally, it also uncovers vital information about the Li-7 chemical environments during the electrochemical and parasitic reactions on the Li metal anode. These new molecular-level insights about transient species and the associated anode failure mechanism are crucial to delineating effective strategies to accelerate the development of Li-S battery technologies. C1 [Xiao, Jie; Hu, Jian Zhi; Chen, Honghao; Vijayakumar, M.; Zheng, Jianming; Pan, Huilin; Walter, Eric D.; Hu, Mary; Deng, Xuchu; Feng, Ju; Gu, Meng; Deng, Zhiqun Daniel; Lu, Dongping; Xu, Suochang; Wang, Chongmin; Liu, Jun] Pacific NW Natl Lab, Joint Ctr Energy Storage Res, Richland, WA 99352 USA. [Liaw, Bor Yann] Univ Hawaii Manoa, Electrochem Power Syst Lab, Hawaii Nat Energy Inst, Sch Ocean & Earth Sci & Technol, Honolulu, HI 96822 USA. RP Hu, JZ (reprint author), Pacific NW Natl Lab, Joint Ctr Energy Storage Res, Richland, WA 99352 USA. EM jianzhi.hu@pnnl.gov; jun.liu@pnnl.gov RI Gu, Meng/B-8258-2013; Hu, Jian Zhi/F-7126-2012; Deng, Daniel/A-9536-2011; Zheng, Jianming/F-2517-2014; Pan, Huilin/J-9298-2016; Walter, Eric/P-9329-2016 OI Deng, Daniel/0000-0002-8300-8766; Zheng, Jianming/0000-0002-4928-8194; FU Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub - U.S. Department of Energy, Office of Science, Basic Energy Sciences (BES); DOE's Office of Biological and Environmental Research (BER); PNNL; U.S. Army Corps of Engineers, Portland District; Department of Energy [DE-AC05-76RLO1830] FX This work was supported by the Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences (BES). The NMR, EPR, and computational studies were conducted in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research (BER) and located at PNNL. The microbattery design used for NMR measurement is partially based upon previous work supported by the U.S. Army Corps of Engineers, Portland District. PNNL is operated by Battelle for the Department of Energy under Contract DE-AC05-76RLO1830. Mr. Jason Skouson and Mr. Hardeep S. Mehta are acknowledged for their assistance of establishing the in situ NMR device. NR 48 TC 13 Z9 13 U1 12 U2 132 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 MAY PY 2015 VL 15 IS 5 BP 3309 EP 3316 DI 10.1021/acs.nanolett.5b00521 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 CI6WX UT WOS:000354906000080 PM 25785550 ER PT J AU Bischak, CG Hetherington, CL Wang, Z Precht, JT Kaz, DM Schlom, DG Ginsberg, NS AF Bischak, Connor G. Hetherington, Craig L. Wang, Zhe Precht, Jake T. Kaz, David M. Schlom, Darrell G. Ginsberg, Naomi S. TI Cathodoluminescence-Activated Nanoimaging: Noninvasive Near-Field Optical Microscopy in an Electron Microscope SO NANO LETTERS LA English DT Article DE cathodoluminescence; nanoimaging; nanostructures; soft materials; super-resolution imaging; resonant near-field coupling ID METAL-ENHANCED FLUORESCENCE; ULTRA-HIGH-RESOLUTION; DIFFRACTION-LIMIT; LIGHT; SPECTROSCOPY; EMISSION; LOCALIZATION; PLASMONICS; EXCITATION; ANTENNAS AB We demonstrate a new nanoimaging platform in which optical excitations generated by a low-energy electron beam in an ultrathin scintillator are used as a noninvasive, near-field optical scanning probe of an underlying sample. We obtain optical images of Al nanostructures with 46 nm resolution and validate the noninvasiveness of this approach by imaging a conjugated polymer film otherwise incompatible With electron microscopy due to electron-induced damage. The high resolution, Speed, and noninvasiveness of this "cathodoluminescence-activated" platform also show promise for super-resolution bioimaging. C1 [Bischak, Connor G.; Hetherington, Craig L.; Precht, Jake T.; Kaz, David M.; Ginsberg, Naomi S.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Ginsberg, Naomi S.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Hetherington, Craig L.; Kaz, David M.; Ginsberg, Naomi S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci, Berkeley, CA 94720 USA. [Ginsberg, Naomi S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA. [Wang, Zhe; Schlom, Darrell G.] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA. [Schlom, Darrell G.] Cornell Univ, Kavli Inst Cornell Nanoscale Sci, Ithaca, NY 14853 USA. [Ginsberg, Naomi S.] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. RP Ginsberg, NS (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM nsginsberg@berkeley.edu RI Precht, Jake/C-2090-2016; Foundry, Molecular/G-9968-2014 OI Precht, Jake/0000-0002-4692-7886; FU National Science Foundation [1152656]; Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy [SISGRN]; Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; AFOSR [FA9550-10-1-0123]; NSF [DGE 1106400]; David and Lucile Packard Fellowship for Science and Engineering FX YAP:Ce film deposition and CL characterization were supported by the National Science Foundation under Grant Number 1152656. Nanofabrication was supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy, FWP number SISGRN. Devices were fabricated both at the Marvell Nanofabrication Laboratory and Biomolecular Nanotechnology Center at UC Berkeley. CL and time-resolved fluorescence at the LBL Molecular Foundry were performed as part of the Molecular Foundry user program, supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Z.W. and D.G.S. acknowledge support under the AFOSR Grant No. FA9550-10-1-0123, C.G.B. acknowledges an NSF Graduate Research Fellowship (DGE 1106400) and N.S.G. acknowledges a David and Lucile Packard Fellowship for Science and Engineering. We thank S. Aloni and D. F. Ogletree for providing technical and theoretical advice, and we thank R. Ramesh for access to PLD facilities. NR 52 TC 6 Z9 6 U1 6 U2 46 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 MAY PY 2015 VL 15 IS 5 BP 3383 EP 3390 DI 10.1021/acs.nanolett.5b00716 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 CI6WX UT WOS:000354906000091 PM 25855869 ER PT J AU Zhang, JS Bai, Y Sun, XG Li, YC Guo, BK Chen, JH Veith, GM Hensley, DK Paranthaman, MP Goodenough, JB Dai, S AF Zhang, Jinshui Bai, Ying Sun, Xiao-Guang Li, Yunchao Guo, Bingkun Chen, Jihua Veith, Gabriel M. Hensley, Dale K. Paranthaman, Mariappan Parans Goodenough, John B. Dai, Sheng TI Superior Conductive Solid-like Electrolytes: Nanoconfining Liquids within the Hollow Structures SO NANO LETTERS LA English DT Article DE Li dendrite; solid-like electrolyte; superior conductivity; hollow nanoarchitecture; nanoconfinement ID LITHIUM BATTERY ANODES; ENERGY-STORAGE; NANOPARTICLES; CATHODE; STABILITY; SIZE AB The growth and proliferation of lithium (Li) dendrites during cell recharge are currently unavoidable, which seriously hinders the development and application Of rechargeable Li metal batteries. Solid electrolytes, with robust mechanical modulus are regarded as a promising approach to overcome the dendrite problems. However, their room-temperature ionic conductivities are usually too low to reach the level required for normal battery operation. Here, a class of novel solid electrolytes with liquid-like room-temperature ionic conductivities (>1 mS cm(-1)) has been successfully synthesized by taking advantage of the unique nanoarchitectures of hollow,silica (HS), spheres to confine liquid electrolytes in hollow space to afford high, conductivities (2.5 mS cm(-1)). In a symmetric lithium/lithium cell, the solid-like electrolytes demonstrate a robust performance against the Li dendrite problem, preventing the cell from short circuiting at current densities ranging from, 0.16 to 0.32 mA cm(-2) over an extended period of time. Moreover, the high flexibility and compatibility of HS nono-architectures, in principle, enables broad tunability to choose desired liquids for the fabrication of other kinds of solid like electrolytes, such as those containing Na+, Mg2+, or Al3+ as conductive media, providing a useful alternative strategy for the development of next generation rechargeable batteries. C1 [Zhang, Jinshui; Bai, Ying; Sun, Xiao-Guang; Li, Yunchao; Paranthaman, Mariappan Parans; Dai, Sheng] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. [Chen, Jihua; Hensley, Dale K.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci Div, Oak Ridge, TN 37831 USA. [Veith, Gabriel M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Guo, Bingkun; Goodenough, John B.] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. [Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Li, Yunchao; Paranthaman, Mariappan Parans] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA. [Bai, Ying] Henan Univ, Key Lab Photovolta Mat Henan Prov, Kaifeng 475004, Peoples R China. [Bai, Ying] Henan Univ, Sch Phys & Elect, Kaifeng 475004, Peoples R China. RP Dai, S (reprint author), Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Guo, Bingkun/J-5774-2014; Chen, Jihua/F-1417-2011; Dai, Sheng/K-8411-2015; Paranthaman, Mariappan/N-3866-2015; Hensley, Dale/A-6282-2016; zhang, Jinshui/D-9749-2016; OI Chen, Jihua/0000-0001-6879-5936; Dai, Sheng/0000-0002-8046-3931; Paranthaman, Mariappan/0000-0003-3009-8531; Hensley, Dale/0000-0001-8763-7765; zhang, Jinshui/0000-0003-4649-6526; Li, Yunchao/0000-0001-5460-5855; Goodenough, John Bannister/0000-0001-9350-3034 FU U.S. Department of Energy's Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division FX This research was supported by the U.S. Department of Energy's Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. TEM (J.C.) and SEM (D.K.H.) experiments were conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. J.Z. thanks Lihua Lin for his help with data processing. S.D. and M.P.P. thank Edgar Lara-Curzio for his help with nanoindentation measurements. NR 38 TC 18 Z9 18 U1 23 U2 179 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 MAY PY 2015 VL 15 IS 5 BP 3398 EP 3402 DI 10.1021/acs.nanolett.5b00739 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 CI6WX UT WOS:000354906000093 PM 25844598 ER PT J AU Zhu, CH Wang, C Young, A Liu, F Gunkel, I Chen, D Walba, D Maclennan, J Clark, N Hexemer, A AF Zhu, Chenhui Wang, Cheng Young, Anthony Liu, Feng Gunkel, Ilja Chen, Dong Walba, David Maclennan, Joseph Clark, Noel Hexemer, Alexander TI Probing and Controlling Liquid Crystal Helical Nanofilaments SO NANO LETTERS LA English DT Article DE helical pitch; helix; Smectic liquid crystal; resonant soft X-ray scattering; carbon edge; nanofilament; B4; bent-core ID X-RAY-SCATTERING; MOLECULAR-ORIENTATION; ACHIRAL MOLECULES; BLUE PHASES; CHIRALITY; ORDER; MORPHOLOGY; FILAMENTS; FILMS; BEND AB We report the first in situ measurement of the helical pitch of the helical nanofilament B4 phase of bent-core liquid crystals using linearly polarized, resonant soft X-ray scattering at the carbon K-edge. A strong, anisotropic scattering peak corresponding to the half-pitch of the twisted smectic layer structure was observed. The equilibrium helical half-pitch of NOBOW is found to be 120 nm, essentially independent of temperature. However, the helical pitch can be tuned by mixing guest organic molecules with the bent-core host, followed by thermal annealing. C1 [Zhu, Chenhui; Wang, Cheng; Young, Anthony; Gunkel, Ilja; Hexemer, Alexander] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Liu, Feng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA. [Chen, Dong; Maclennan, Joseph; Clark, Noel] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Chen, Dong; Walba, David; Maclennan, Joseph; Clark, Noel] Univ Colorado, Liquid Crystal Mat Res Ctr, Boulder, CO 80309 USA. [Walba, David] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. RP Zhu, CH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM chenhuizhu@lbl.gov; cwang2@lbl.gov; ahexemer@lbl.gov RI Clark, Noel/E-9011-2010; Walba, David/F-7284-2013; Wang, Cheng/A-9815-2014; Liu, Feng/J-4361-2014; OI Liu, Feng/0000-0002-5572-8512; Gunkel, Ilja/0000-0001-5738-5309 FU Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; Liquid Crystal Materials Research Center (NSF MRSEC) [DMR-0820579, DMR-1420736] FX We thank Dr. Wim Bras for helpful discussions. We acknowledge use of Beam lines 7.3.3 and 11.0.1.2 of the Advanced Light Source supported by the Director of the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. We thank the Liquid Crystal Materials Research Center (NSF MRSEC awards DMR-0820579 and DMR-1420736) for financial support of this work. NR 39 TC 9 Z9 9 U1 7 U2 42 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 MAY PY 2015 VL 15 IS 5 BP 3420 EP 3424 DI 10.1021/acs.nanolett.5b00760 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 CI6WX UT WOS:000354906000096 PM 25867200 ER PT J AU Gong, Y Joly, AG Hu, DH E-Khoury, PZ Hess, WP AF Gong, Yu Joly, Alan G. Hu, Dehong E-Khoury, Patrick Z. Hess, Wayne P. TI Ultrafast Imaging of Surface Plasmons Propagating on a Gold Surface SO NANO LETTERS LA English DT Article DE Propagating surface plasmon; time-resolved; sub-femtosecond; PEEM ID ENHANCED RAMAN-SPECTROSCOPY; PHOTOEMISSION; MICROSCOPY; TIME; POLARITONS; NANOWIRES; FILMS; LIMIT AB We record time-resolved nonlinear photoemission electron microscopy (tr-PEEM) images of propagating surface plasmons (PSPs) launched from a lithographically patterned rectangular trench on a flat gold surface. Our tr-PEEM scheme involves a pair of identical, spatially separated, and interferometrically locked femtosecond laser pulses. Power-dependent PEEM images provide experimental evidence for a sequential coherent nonlinear photoemission process, in which one laser source launches a PSP through a linear interaction, and the second subsequently probes the PSP via two-photon photoemission. The recorded time-resolved movies of a PSP allow us to directly measure various properties of the surface-bound wave packet, including its carrier wavelength (783 nm) and group velocity (0.95c). In addition, tr-PEEM images reveal that the launched PSP may be detected at least 250 mu m away from the coupling trench structure. C1 [Gong, Yu; Joly, Alan G.; E-Khoury, Patrick Z.; Hess, Wayne P.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA. [Hu, Dehong] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Hess, WP (reprint author), Pacific NW Natl Lab, Div Phys Sci, POB 999, Richland, WA 99352 USA. EM wayne.hess@pnnl.gov RI Hu, Dehong/B-4650-2010; Gong, Yu /I-9950-2014 OI Hu, Dehong/0000-0002-3974-2963; Gong, Yu /0000-0002-9357-9503 FU US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences; Laboratory Directed Research and Development Program through Linus Pauling Fellowship at Pacific Northwest National Laboratory (PNNL); DOE's Office of Biological and Environmental Research FX All authors acknowledge support from the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. P.Z.E. acknowledges support from the Laboratory Directed Research and Development Program through a Linus Pauling Fellowship at Pacific Northwest National Laboratory (PNNL). A portion of the 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 a multiprogram national laboratory operated for DOE by Battelle. NR 43 TC 14 Z9 14 U1 14 U2 92 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 MAY PY 2015 VL 15 IS 5 BP 3472 EP 3478 DI 10.1021/acs.nanolett.5b00803 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 CI6WX UT WOS:000354906000104 PM 25844522 ER PT J AU Hwa, Y Zhao, J Cairns, EJ AF Hwa, Yoon Zhao, Juan Cairns, Elton J. TI Lithium Sulfide (Li2S)/Graphene Oxide Nanospheres with Conformal Carbon Coating as a High-Rate, Long-Life Cathode for Li/S Cells SO NANO LETTERS LA English DT Article DE lithium batteries; sulfur; energy storage; lithium sulfide; cathodes; graphene oxide ID HIGH SPECIFIC ENERGY; SULFUR BATTERIES; GRAPHENE OXIDE; ION BATTERY; PERFORMANCE; LI2S; SHELL; NANOPARTICLES; TEMPERATURE; DISULFIDES AB In recent years, lithium/sulfur (Li/S) cells have attracted great attention as a candidate for the next generation of rechargeable batteries due to their high theoretical specific energy of 2600 W.h kg(-1), which is much higher than that of Li ion cells (400-600, W.h kg(-1)). However, problems of the S cathode such as highly soluble intermediate species (polysulfides Li2Sn, n = 4-8) and the insulating nature of S cause poor cycle life and low utilization of S, which prevents the practical use cif Li/S cells. Here, a high-rate and long-life Li/S cell is proposed, which has a cathode material with a core shell nanostructure comprising Li2S nanospheres with an embedded graphene oxide (GO) Sheet as a core material and a conformal carbon layer as a shell. The conformal carbon coating is easily obtained by a unique CVD coating process using a lab-designed rotating furnace without any repetitive steps. The Li2S/GO@C cathode exhibits a high initial discharge capacity of 650 mA.h g(-1) of Li2S (corresponding to the 942 mA.h g(-1) of S) and very low capacity decay rate of only 0.046% per cycle with a high Coulombic efficiency of up to 99.7% for 1500 cycles when cycled at the 2 C discharge rate. C1 [Hwa, Yoon; Zhao, Juan; Cairns, Elton J.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Hwa, Yoon; Zhao, Juan; Cairns, Elton J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Cairns, EJ (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM ejcairns@lbl.gov RI Hwa, Yoon/J-3128-2013; Foundry, Molecular/G-9968-2014; Cairns, Elton/E-8873-2012 OI Hwa, Yoon/0000-0002-3622-4837; Cairns, Elton/0000-0002-1179-7591 FU Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC02-05CH11231]; Robert Bosch LLC through Bosch Energy Research Network Grant [16.11.BS11]; University of California-Berkeley, Energy and Climate Research Innovation Seed Fund FX We thank Tevye Kuykendall and Maria Virginia P. Altoe and the Molecular Foundry at the Lawrence Berkeley National Laboratory for supporting the X-ray diffractometer and transmission electron microscope. 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. Thanks also go to Lydia Terborg and Robert Kostecki for help with the Raman characterization. This work was sponsored by Robert Bosch LLC through the Bosch Energy Research Network Grant No. 16.11.BS11, and by the University of California-Berkeley, Energy and Climate Research Innovation Seed Fund. NR 36 TC 30 Z9 30 U1 32 U2 283 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 MAY PY 2015 VL 15 IS 5 BP 3479 EP 3486 DI 10.1021/acs.nanolett.5b00820 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 CI6WX UT WOS:000354906000105 PM 25915431 ER PT J AU Chen, YX Zeng, CJ Kauffman, DR Jin, RC AF Chen, Yuxiang Zeng, Chenjie Kauffman, Douglas R. Jin, Rongchao TI Tuning the Magic Size of Atomically Precise Gold Nanoclusters via Isomeric Methylbenzenethiols SO NANO LETTERS LA English DT Article DE Gold; nanocluster; atomic precision; tunable magic sizes; isomeric methylbenzenethiols; Au-S bond ID AU-25 CLUSTERS; CHEMOSELECTIVE HYDROGENATION; PROTECTED AU-130; KDA GOLD; CORE; NANOPARTICLES; COMPLEXES; SCALE; CYCLOHEXANETHIOLATE; AU-40(SR)(24) AB Toward controlling the magic sizes of atomically precise gold nanoclusters, herein we have devised a new strategy by exploring the para-, meta-, ortho-methylbenzenethiol (MBT) for successful preparation of pure Au-130(p-MET)(50), Au-104(m-MBT)(41) and Au-40(o-MBT)(24) nanoclusters. The decreasing site sequence is in line with the increasing hindrance of the methyl group to the interfacial Au-S bond. That the subtle change of ligand structure can result in drastically different Magic sizes under otherwise similar reaction conditions is indeed for the first time observed in the synthesis of thiolate-protected gold nanoclusters. These nanoclusters are highly stable as they are synthesized under harsh size-focusing conditions at 80-90 degrees C in the presence of excess thiol and air (i.e., without exclusion of oxygen). C1 [Chen, Yuxiang; Zeng, Chenjie; Jin, Rongchao] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA. [Kauffman, Douglas R.] US DOE, NETL, Pittsburgh, PA 15236 USA. RP Jin, RC (reprint author), Carnegie Mellon Univ, Dept Chem, 4400 5th Ave, Pittsburgh, PA 15213 USA. EM rongchao@andrew.cmu.edu FU U.S. Department of Energy-Office of Basic Energy Sciences [DE-FG02-12ER16354] FX R.J. acknowledges financial support from the U.S. Department of Energy-Office of Basic Energy Sciences, Grant DE-FG02-12ER16354. We thank Zhongrui Zhou for assistance in ESI-MS analysis. NR 46 TC 23 Z9 23 U1 7 U2 74 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 MAY PY 2015 VL 15 IS 5 BP 3603 EP 3609 DI 10.1021/acs.nanolett.5b01122 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 CI6WX UT WOS:000354906000124 PM 25915164 ER PT J AU Zhang, YH Weng, XF Li, H Li, HB Wei, MM Xiao, JP Liu, Z Chen, MS Fu, Q Bao, XH AF Zhang, Yanhong Weng, Xuefei Li, Huan Li, Haobo Wei, Mingming Xiao, Jianping Liu, Zhi Chen, Mingshu Fu, Qiang Bao, Xinhe TI Hexagonal Boron Nitride Cover on Pt(111): A New Route to Tune Molecule-Metal Interaction and Metal-Catalyzed Reactions SO NANO LETTERS LA English DT Article DE hexagonal boron nitride (h-BN); intercalation; Pt(111); CO oxidation; confinement effect ID BIMETALLIC ALLOY SURFACES; EPITAXIAL GRAPHENE; PHOTOELECTRON-SPECTROSCOPY; CARBON-MONOXIDE; CO; OXIDATION; INTERCALATION; GROWTH; ADSORPTION; OXYGEN AB In heterogeneous catalysis molecule-metal interaction is often modulated through structural modifications at the surface or under the surface of the metal catalyst. Here, we suggest an alternative way toward this modulation by placing a two-dimensional (2D) cover on the metal surface. As an illustration, CO adsorption on Pt(111) surface has been studied under 2D hexagonal boron nitride (h-BN) overlayer. Dynamic imaging data from surface electron microscopy and in situ surface spectroscopic results under near ambient pressure conditions confirm that CO molecules readily intercalate monolayer h-BN sheets on Pt(111) in CO atmosphere but desorb from the h-BN/Pt(111) interface even around room temperature in ultrahigh vacuum. The interaction of CO with Pt has been strongly weakened due to the confinement effect of the h-BN cover, and consequently, CO oxidation at the h-BN/Pt(111) interface was enhanced thanks to the alleviated CO poisoning effect. C1 [Zhang, Yanhong; Li, Haobo; Wei, Mingming; Xiao, Jianping; Fu, Qiang; Bao, Xinhe] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, iChEM, Dalian 116023, Peoples R China. [Weng, Xuefei; Li, Huan; Chen, Mingshu] Xiamen Univ, Dept Chem, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China. [Liu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Chen, MS (reprint author), Xiamen Univ, Dept Chem, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China. EM chemms@xmu.edu.cn; qfu@dicp.ac.cn RI Liu, Zhi/B-3642-2009; Fu, Qiang/E-7109-2015 OI Liu, Zhi/0000-0002-8973-6561; Fu, Qiang/0000-0001-5316-6758 FU National Natural Science Foundation of China [21222305, 21373208, 21321001]; Ministry of Science and Technology of China [2011CB932704, 2013CB933100, 2013CB834603]; Chinese Academy of Science [KGZD-EW-T05]; Office of Energy Research, Office of Basic Energy Sciences, and Chemical Sciences Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was financially supported by the National Natural Science Foundation of China (Nos. 21222305, 21373208, and 21321001), Ministry of Science and Technology of China (Nos. 2011CB932704, 2013CB933100, and 2013CB834603), and the Key Research Programme of the Chinese Academy of Science (Grant No. KGZD-EW-T05). The Advanced Light Source and beamlines 11.0.2 and 9.3.1 are supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, and Chemical Sciences Division of the U.S. Department of Energy under contracts No. DE-AC02-05CH11231. NR 63 TC 29 Z9 29 U1 36 U2 172 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 MAY PY 2015 VL 15 IS 5 BP 3616 EP 3623 DI 10.1021/acs.nanolett.5b01205 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 CI6WX UT WOS:000354906000126 PM 25897635 ER PT J AU Liu, C Gallagher, JJ Sakimoto, KK Nichols, EM Chang, CJ Chang, MCY Yang, PD AF Liu, Chong Gallagher, Joseph J. Sakimoto, Kelsey K. Nichols, Eva M. Chang, Christopher J. Chang, Michelle C. Y. Yang, Peidong TI Nanowire-Bacteria Hybrids for Unassisted Solar Carbon Dioxide Fixation to Value-Added Chemicals SO NANO LETTERS LA English DT Article DE Nanowires; artificial photosynthesis; bacteria; carbon dioxide fixation ID EARTH-ABUNDANT CATALYSTS; ARTIFICIAL PHOTOSYNTHESIS; REDUCTION; FUEL; CO2; EFFICIENCY; ENZYME; PLANET; CELLS AB Direct solar-powered production of value-added chemicals from CO2 and H2O, a process that mimics natural photosynthesis, is of fundamental and practical interest. In natural photosynthesis, CO2 is first reduced to common biochemical building blocks using solar energy, which are subsequently used for the synthesis of the complex mixture of molecular products that form biomass. Here we report an artificial photosynthetic scheme that functions via a similar two-step process by developing a biocompatible light-capturing nanowire array that enables a direct interface with microbial systems. As a proof of principle, we demonstrate that a hybrid semiconductor nanowirebacteria system can reduce CO2 at neutral pH to a wide array of chemical targets, such as fuels, polymers, and complex pharmaceutical precursors, using only solar energy input. The high-surface-area silicon nanowire array harvests light energy to provide reducing equivalents to the anaerobic bacterium, Sporomusa ovata, for the photoelectrochemical production of acetic acid under aerobic conditions (21% O-2) with low overpotential (eta < 200 mV), high Faradaic efficiency (up to 90%), and long-term stability (up to 200 h). The resulting acetate (similar to 6 g/L) can be activated to acetyl coenzyme A (acetyl-CoA) by genetically engineered Escherichia coli and used as a building block for a variety of value-added chemicals, such as n-butanol, polyhydroxybutyrate (PHB) polymer, and three different isoprenoid natural products. As such, interfacing biocompatible solid-state nanodevices with living systems provides a starting point for developing a programmable system of chemical synthesis entirely powered by sunlight. C1 [Liu, Chong; Sakimoto, Kelsey K.; Nichols, Eva M.; Chang, Christopher J.; Chang, Michelle C. Y.; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Gallagher, Joseph J.; Chang, Christopher J.; Chang, Michelle C. Y.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Chang, Christopher J.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Yang, Peidong] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Liu, Chong; Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Chang, Christopher J.; Chang, Michelle C. Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Yang, Peidong] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. RP Chang, CJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM chrischang@berkeley.edu; mcchang@berkeley.edu; p_yang@berkeley.edu OI Liu, Chong/0000-0001-5546-3852 FU DOE/LBNL [DE-AC02-05CH11231, CH030201]; NSF-GRFP; NIH [1 T32 GMO66698] FX We thank Dr. Miao Wen for use of the ACS and PHB plasmids. We also acknowledge Yude Su, Dr. Jongwoo Lim, and Dr. Sarah F. Brittman for helpful discussions. P.Y. thanks support from DOE/LBNL DE-AC02-05CH11231 (PChem, P.Y.). C.J.C. and M.C.Y.C. thank support from DOE/LBNL DE-AC02-05CH11231, FWP no. CH030201 (C.J.C. and M.C.Y.C.). C.J.C. is an Investigator with the Howard Hughes Medical Institute. J.J.G., K.K.S., and E.M.N. acknowledge the NSF-GRFP for funding. J.J.G. also thanks NIH Training Grant 1 T32 GMO66698 for support. NR 33 TC 42 Z9 42 U1 60 U2 235 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 MAY PY 2015 VL 15 IS 5 BP 3634 EP 3639 DI 10.1021/acs.nanolett.5b01254 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 CI6WX UT WOS:000354906000128 PM 25848808 ER PT J AU Abramov, BM Alekseev, PN Borodin, YA Bulychjov, SA Dukhovskoy, IA Krutenkova, AP Kulikov, VV Martemianov, MA Matsyuk, MA Mashnik, SG Turdakina, EN Khanov, AI AF Abramov, B. M. Alekseev, P. N. Borodin, Yu. A. Bulychjov, S. A. Dukhovskoy, I. A. Krutenkova, A. P. Kulikov, V. V. Martemianov, M. A. Matsyuk, M. A. Mashnik, S. G. Turdakina, E. N. Khanov, A. I. TI Protons from carbon ion fragmentation at 0.3-2.0 GeV/nucleon: Comparison with models of ion-ion interactions SO PHYSICS OF ATOMIC NUCLEI LA English DT Article ID CUMULATIVE PROTONS; VALIDATION; NUCLEI; GEANT4 AB Yields of protons at 3.5A degrees from carbon ion fragmentation at energies of T (0) = 0.3, 0.6, 0.95, and 2.0 GeV/nucleon on a Be target were measured in the FRAGM experiment at TWA-ITEP heavy-ion facility. Proton momentum spectra cover both the region of the fragmentation maximum and the cumulative region. The differential cross sections span six orders of its magnitude. The spectra are compared with the predictions of four models of ion-ion interactions: LAQGSM03.03, SHIELD-HIT, QMD, and BC. C1 [Abramov, B. M.; Alekseev, P. N.; Borodin, Yu. A.; Bulychjov, S. A.; Dukhovskoy, I. A.; Krutenkova, A. P.; Kulikov, V. V.; Martemianov, M. A.; Matsyuk, M. A.; Turdakina, E. N.; Khanov, A. I.] Natl Res Ctr Kurchatov Inst, Inst Theoret & Expt Phys, Moscow 117218, Russia. [Mashnik, S. G.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Abramov, BM (reprint author), Natl Res Ctr Kurchatov Inst, Inst Theoret & Expt Phys, Bolshaya Cheremushkinskaya Ul 25, Moscow 117218, Russia. EM kulikov@itep.ru FU DOE [DE-AC52-06NA25396]; Russian Foundation for Basic Research [12-02-01111/12-a] FX That part of the work which was performed at LANL was funded under a DOE Contract no. DE-AC52-06NA25396. This work was supported by the Russian Foundation for Basic Research (project no. 12-02-01111/12-a). NR 18 TC 2 Z9 2 U1 0 U2 0 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 1063-7788 EI 1562-692X J9 PHYS ATOM NUCL+ JI Phys. Atom. Nuclei PD MAY PY 2015 VL 78 IS 3 BP 373 EP 380 DI 10.1134/S1063778815020039 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA CJ1EI UT WOS:000355224600006 ER PT J AU Nikolenko, DM Arrington, J Barkov, LM de Vries, H Gauzshtein, VV Golovin, RA Gramolin, AV Dmitriev, VF Zhilich, VN Zevakov, SA Kaminsky, VV Lazarenko, BA Mishnev, SI Muchnoi, NY Neufeld, VV Rachek, IA Sadykov, RS Stibunov, VN Toporkov, DK Holt, RJ Shestakov, YV AF Nikolenko, D. M. Arrington, J. Barkov, L. M. de Vries, H. Gauzshtein, V. V. Golovin, R. A. Gramolin, A. V. Dmitriev, V. F. Zhilich, V. N. Zevakov, S. A. Kaminsky, V. V. Lazarenko, B. A. Mishnev, S. I. Muchnoi, N. Yu. Neufeld, V. V. Rachek, I. A. Sadykov, R. Sh. Stibunov, V. N. Toporkov, D. K. Holt, R. J. Shestakov, Yu. V. TI Proton form factors and two-photon exchange in elastic electron-proton scattering SO PHYSICS OF ATOMIC NUCLEI LA English DT Article ID RADIATIVE CORRECTIONS; INTERNAL TARGETS; POSITRONS; COLLIDER AB Proton electromagnetic form factors are among the most important sources of information about the internal structure of the proton. Two different methods for measuring these form factors, the method proposed by Rosenbluth and the polarization-transfer method, yield contradictory results. It is assumed that this contradiction can be removed upon taking into account the hard part of the contribution of two-photon exchange to the cross section for elastic electron-proton scattering. This contribution can measured experimentally via a precision comparison of the cross sections for the elastic scattering of positrons and electrons on protons. Such a measurement, performed at the VEPP-3 storage ring in Novosibirsk at the beam energies of 1.6 and 1.0 GeV for positron (electron) scattering angles in the ranges of theta (e) = 15A degrees-25A degrees and 55A degrees-75A degrees in the first case and in the range of theta (e) = 65A degrees-105A degrees in the second case is described in the present article. Preliminary results of this experiment and their comparison with theoretical predictions are described. C1 [Nikolenko, D. M.; Barkov, L. M.; Golovin, R. A.; Gramolin, A. V.; Dmitriev, V. F.; Zhilich, V. N.; Zevakov, S. A.; Kaminsky, V. V.; Lazarenko, B. A.; Mishnev, S. I.; Muchnoi, N. Yu.; Neufeld, V. V.; Rachek, I. A.; Sadykov, R. Sh.; Toporkov, D. K.; Shestakov, Yu. V.] Russian Acad Sci, Siberian Branch, Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Arrington, J.; Holt, R. J.] Argonne Natl Lab, Lemont, IL 60439 USA. [de Vries, H.] NIKHEF, NL-1098 XG Amsterdam, Netherlands. [Gauzshtein, V. V.; Stibunov, V. N.] Natl Res Tomsk Polytech Univ, Phys Tech Inst, Tomsk 634050, Russia. [Dmitriev, V. F.; Zhilich, V. N.; Muchnoi, N. Yu.; Toporkov, D. K.; Shestakov, Yu. V.] Novosibirsk State Univ, Novosibirsk 630090, Russia. RP Nikolenko, DM (reprint author), Russian Acad Sci, Siberian Branch, Budker Inst Nucl Phys, Pr Akad Lavrentieva 11, Novosibirsk 630090, Russia. EM D.M.Nikolenko@inp.nsk.su RI Gramolin, Alexander/C-1218-2011; Muchnoi, Nickolai/N-3611-2015 OI Gramolin, Alexander/0000-0001-5436-7375; Muchnoi, Nickolai/0000-0003-2936-0029 FU Ministry of Education and Science of Russian Federation; Russian Foundation for Basic Research [12-02-33140]; US Department of Energy [DE-AC02-06CH11357]; US National Science Foundation [PHY-03-54871] FX This work was supported by the Ministry of Education and Science of Russian Federation and was also supported in part by the Russian Foundation for Basic Research (project no. 12-02-33140) and by grants from the US Department of Energy (no. DE-AC02-06CH11357) and the US National Science Foundation (no. PHY-03-54871). NR 57 TC 1 Z9 1 U1 0 U2 1 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 1063-7788 EI 1562-692X J9 PHYS ATOM NUCL+ JI Phys. Atom. Nuclei PD MAY PY 2015 VL 78 IS 3 BP 394 EP 403 DI 10.1134/S1063778815020234 PG 10 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA CJ1EI UT WOS:000355224600009 ER PT J AU Smith, TJ Hill, KK Raphael, BH AF Smith, Theresa J. Hill, Karen K. Raphael, Brian H. TI Historical and current perspectives on Clostridium botulinum diversity SO RESEARCH IN MICROBIOLOGY LA English DT Article DE Clostridium botulinum; Botulinum neurotoxins; Genomics; Serotype ID REAL-TIME PCR; TANDEM-REPEAT ANALYSIS; FRAGMENT LENGTH POLYMORPHISM; NUCLEOTIDE-SEQUENCE ANALYSIS; FIELD GEL-ELECTROPHORESIS; NEUROTOXIN GENE CLUSTERS; AMINO-ACID-SEQUENCE; SEROTYPE-A SUBTYPES; INFANT BOTULISM; GROUP-II AB For nearly one hundred years, researchers have attempted to categorize botulinum neurotoxin-producing clostridia and the toxins that they produce according to biochemical characterizations, serological comparisons, and genetic analyses. Throughout this period the bacteria and their toxins have defied such attempts at categorization. Below is a description of both historic and current Clostridium botulinum strain and neurotoxin information that illustrates how each new finding has significantly added to the knowledge of the botulinum neurotoxin-containing clostridia and their diversity. Published by Elsevier Masson SAS on behalf of Institut Pasteur. C1 [Smith, Theresa J.] United States Army Med Res Inst Infect Dis, Mol & Translat Sci, Ft Detrick, MD 21702 USA. [Hill, Karen K.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Raphael, Brian H.] Ctr Dis Control & Prevent, Enter Dis Lab Branch, Atlanta, GA 30329 USA. RP Smith, TJ (reprint author), United States Army Med Res Inst Infect Dis, Mol & Translat Sci, Ft Detrick, MD 21702 USA. EM theresa.j.smith.civ@mail.mil OI Raphael, Brian/0000-0003-2778-2623 FU Department of Homeland Security Science and Technology [HSHQDC-10-C-00139]; NIAID [IAA 120.B18]; Office of Public Health Preparedness and Emergency Response, Centers for Disease Control and Prevention FX Funding for this research was provided by the Department of Homeland Security Science and Technology Directorate contract HSHQDC-10-C-00139 and NIAID IAA 120.B18 and the Office of Public Health Preparedness and Emergency Response, Centers for Disease Control and Prevention. Los Alamos National Laboratory strongly supports academic freedom and a researcher's right to publish; however the Laboratory as an institution does not necessarily endorse the viewpoint of a publication or guarantee its technical correctness. Opinions, interpretations, conclusions and recommendations are those of the authors and not necessarily endorsed by the Centers for Disease Control and Prevention, the United States Army, the National Institute of Allergy and Infectious Diseases, or the National Institutes of Health. NR 144 TC 12 Z9 12 U1 2 U2 9 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 MAY PY 2015 VL 166 IS 4 SI SI BP 290 EP 302 DI 10.1016/j.resmic.2014.09.007 PG 13 WC Microbiology SC Microbiology GA CI8QZ UT WOS:000355038100008 PM 25312020 ER PT J AU Reza-E-Rabby, M Tang, W Reynolds, AP AF Reza-E-Rabby, Md Tang, W. Reynolds, A. P. TI Effect of tool pin features on process response variables during friction stir welding of dissimilar aluminum alloys SO SCIENCE AND TECHNOLOGY OF WELDING AND JOINING LA English DT Article DE Dissimilar material friction stir welding; flats; Co-flow flutes; Counter flow flutes; Forge force; Torque; Power; AA2050; AA6061 ID MATERIAL FLOW; TEMPERATURE DISTRIBUTION; THERMAL HISTORY; MICROSTRUCTURE; GEOMETRY; AL; VISUALIZATION; TORQUE; INPUT; FSW AB In this paper, the effect of pin features and orientation/placement of the materials on advancing side were investigated for friction stir welding (FSW) of dissimilar aluminum alloys AA2050 and AA6061. Pins for FSW were produced with a 2.12 mm pitch thread having three flats/flutes. Three sets of rotational speed/welding speed were used to perform a series of welds in a butt joint arrangement. The results show that, joint quality, process response variables and welding temperature are highly affected by pin features and material orientation in FSW. Defect free joints with effective material transportation in the weld nugget zone were obtained when welding was performed with AA2050 on the advancing side. The tool also encounters less in plane reaction force for welding with 2050 on the advancing side. Pin with thread+3 flats produces quality welds at low rotational and travel speed regardless of the location of alloys on advancing or retreating side. C1 [Reza-E-Rabby, Md; Reynolds, A. P.] Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. [Tang, W.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Reza-E-Rabby, M (reprint author), Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. EM rezaerab@email.sc.edu RI Tang, Wei/E-3613-2017 OI Tang, Wei/0000-0002-9274-9574 FU Center for Friction Stir Processing [EEC-0437341] FX The authors acknowledge the financial support of the Center for Friction Stir Processing, which is a National Science Foundation I/UCRC supported by grant no. EEC-0437341. The authors thank Mr D. Wilhelm, Department of Mechanical Engineering, University of South Carolina, Columbia, SC, USA, for his help in manufacturing pins and preparing the weld joints. NR 25 TC 1 Z9 1 U1 10 U2 23 PU MANEY PUBLISHING PI LEEDS PA STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND SN 1362-1718 J9 SCI TECHNOL WELD JOI JI Sci. Technol. Weld. Join. PD MAY PY 2015 VL 20 IS 5 BP 425 EP 432 DI 10.1179/1362171815Y.0000000036 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CJ1IT UT WOS:000355238000009 ER PT J AU Ban-Weiss, GA Woods, J Levinson, R AF Ban-Weiss, George A. Woods, Jordan Levinson, Ronnen TI Using remote sensing to quantify albedo of roofs in seven California cities, Part 1: Methods SO SOLAR ENERGY LA English DT Article DE Albedo; Solar reflectance; Cool roof; Heat island effect ID URBAN HEAT-ISLAND; COOLING ENERGY SAVINGS; MITIGATION STRATEGIES; AIR-QUALITY; REFLECTANCE; SURFACES; BUILDINGS AB Cool roofs reflect sunlight and therefore can reduce cooling energy use in buildings. Further, since roofs typically cover about 20-25% of a city, widespread deployment of cool roofs could mitigate the urban heat island effect and partially counter urban temperature increases associated with global scale climate change. The magnitude of these potential benefits for a given city depends on the increase in albedo that can be achieved using reflective roofs. Assessing this increase requires knowledge of roof albedo at the city scale, which until now has been hindered, by a lack of reflectance data with sufficient spatial coverage, spatial resolution, and spectral detail. In this work we use multiband aerial imagery to derive the albedos of individual roofs in seven California cities: Los Angeles, Long Beach, San Diego, Bakersfield, Sacramento, San Francisco, and San Jose. The radiometrically calibrated, remotely sensed imagery has high spatial resolution (1 m) and four narrowband reflectances: blue, green, red, and near-infrared. First, we locate roof pixels within GIS building outlines. Next, we use laboratory measurements of the solar spectral reflectances of 190 roofing products to empirically relate broadband solar reflectance to reflectances in the four narrow bands; this empirical relationship well predicts solar reflectance, as indicated by a low root-mean-square of the residuals of 0.016. Albedos computed from remotely sensed reflectances are calibrated to ground measurements of roof albedo in each city. The error (accuracy) at 90% confidence interval of the calibrated albedos is found to vary by city, from 0.00-0.01 at low albedo and 0.06-0.14 at high albedo. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Ban-Weiss, George A.] Univ So Calif, Dept Civil & Environm Engn, Los Angeles, CA 90089 USA. [Ban-Weiss, George A.; Woods, Jordan; Levinson, Ronnen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Heat Isl Grp, Berkeley, CA 94720 USA. RP Ban-Weiss, GA (reprint author), Univ So Calif, Dept Civil & Environm Engn, 3620 Vermont Ave KAP210, Los Angeles, CA 90089 USA. EM banweiss@usc.edu OI Ban-Weiss, George/0000-0001-8211-2628 FU California Air Resources Board [10-321]; Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, State, and Community Programs, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors thank Ash Lashgari, Eileen McCauley, and Tony VanCuren of the California Air Resources Board; Doug Cain of North West Group; Sharon Chen, Pablo Rosado, Ben Mandel, and Ling Jin of Lawrence Berkeley National Laboratory; and Ana Paula Werle of Universidade de Sao Paulo. For rooftop access we thank John Skyberg and Christopher Brown of San Jose State University; Leroy Sisneros and Fran Knight of University of California, Los Angeles; Chet Gal land of California State University, Northridge; Craig Meyer of Pierce College; Victor Lai and Charles A. Meyer of San Francisco State University; and John Zertuche, Cynthia Kranc, and Jon Wildberger of University of California, Davis. For roof installation data we thank Certain Teed; Joe Mellott, Tom Chapman, Amy Digby, and Sean Gavin of The Garland Company, Inc.; Michael Kearney of GAF; Tony Zaffuto of Sylvester Roofing Co. Inc.; and Emmie Limon of Sure Coat Systems. This project was funded by the California Air Resources Board under Contract 10-321. It was also supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, State, and Community Programs, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The statements and conclusions in this paper are those of the authors and not necessarily those of the California Air Resources Board. NR 61 TC 5 Z9 5 U1 4 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD MAY PY 2015 VL 115 BP 777 EP 790 DI 10.1016/j.solener.2014.10.022 PG 14 WC Energy & Fuels SC Energy & Fuels GA CI8TC UT WOS:000355043600070 ER PT J AU Ban-Weiss, GA Woods, J Millstein, D Levinson, R AF Ban-Weiss, George A. Woods, Jordan Millstein, Dev Levinson, Ronnen TI Using remote sensing to quantify albedo of roofs in seven California cities, Part 2: Results and application to climate modeling SO SOLAR ENERGY LA English DT Article DE Roof albedo; Solar reflectance; Cool roof; Heat island effect AB The albedo of a roof determines the fraction of incoming sunlight that is reflected, which affects heat transfer into the building and exchange of energy between the built environment and the atmosphere. While the albedo of individual roofs can be easily measured, roof albedo at the city scale is unknown. In this paper we characterize the albedos of roofs in seven cities in California: Los Angeles, Long Beach, Bakersfield, San Francisco, San Jose, Sacramento, and San Diego. The fraction of urban area covered by roofs ranged by city from 10% to 25%. City-wide average roof albedo ranged from 0.17 +/- 0.08 to 0.20 +/- 0.11 (mean standard deviation) for five of the cities; values were higher in Sacramento (0.24 +/- 0.11) and San Diego (0.29 +/- 0.15). Buildings with small roofs were found to constitute a large fraction of city roof area and to have low mean albedos. This suggests that efforts to increase urban albedo through the use of reflective roofs should include small roofs, which are presumably mostly residential. Roof albedos derived for Bakersfield were used in a regional climate model (Weather Research and Forecasting Model) to estimate temperature changes attainable by converting the current stock of roofs to "cool" high albedo roofs. It was found that seasonal mean afternoon (15:00 LST) temperatures could be reduced by up to 0.2 degrees C during both the summer and winter. Changes in precipitation were not significant at the 95% confidence level. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Ban-Weiss, George A.] Univ So Calif, Dept Civil & Environm Engn, Los Angeles, CA 90089 USA. [Ban-Weiss, George A.; Woods, Jordan; Millstein, Dev; Levinson, Ronnen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Heat Isl Grp, Berkeley, CA 94720 USA. RP Ban-Weiss, GA (reprint author), Univ So Calif, Dept Civil & Environm Engn, 3620 Vermont Ave KAP210, Los Angeles, CA 90089 USA. EM banweiss@usc.edu OI Ban-Weiss, George/0000-0001-8211-2628 FU California Air Resources Board [10-321]; Energy Efficiency and Renewable Energy, Office of Building Technology, State, and Community Programs, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors thank Ash Lashgari, Eileen McCauley, and Tony VanCuren of the California Air Resources Board; Doug Cain of North West Group; Sharon Chen, Pablo Rosado, and Ben Mandel of Lawrence Berkeley National Laboratory; and Ana Paula Werle of Universidade de Sao Paulo. This project was funded by the California Air Resources Board under Contract 10-321. It was also supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, State, and Community Programs, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The statements and conclusions in this paper are those of the authors and not necessarily those of the California Air Resources Board. NR 16 TC 5 Z9 5 U1 3 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD MAY PY 2015 VL 115 BP 791 EP 805 DI 10.1016/j.solener.2014.10.041 PG 15 WC Energy & Fuels SC Energy & Fuels GA CI8TC UT WOS:000355043600071 ER PT J AU Liu, L Hejazi, M Patel, P Kyle, P Davies, E Zhou, YY Clarke, L Edmonds, J AF Liu, Lu Hejazi, Mohamad Patel, Pralit Kyle, Page Davies, Evan Zhou, Yuyu Clarke, Leon Edmonds, James TI Water demands for electricity generation in the US: Modeling different scenarios for the water-energy nexus SO TECHNOLOGICAL FORECASTING AND SOCIAL CHANGE LA English DT Article DE Global Change Assessment Model (GCAM); Water-energy nexus; Climate mitigation policy ID INTEGRATED ASSESSMENT; CLIMATE-CHANGE AB Water withdrawal for electricity generation in the United States accounts for approximately half the total freshwater withdrawal. With steadily growing electricity demands, a changing climate, and limited water supplies in many water-scarce states, meeting future energy and water demands poses a significant socioeconomic challenge. Employing an integrated modeling approach that captures the energy-water interactions at regional and national scales can improve our understanding of the key drivers that govern those interactions and the role of national policies. In this study, the Global Change Assessment Model (GCAM), a technologically-detailed integrated model of the economy, energy, agriculture and land use, water, and climate systems, was extended to model the electricity and water systems at the state level in the US. (GCAM-USA). GCAM-USA was employed to estimate future state-level electricity generation and consumption, and their associated water withdrawals and consumption under a set of seven scenarios with extensive detail on the generation fuel portfolio, cooling technology mix, and their associated water use intensities. These seven scenarios were explored to investigate the implications of socioeconomic development and growing electricity demands, cooling system transitions, adoption of water-saving technologies, climate mitigation policy and electricity trading options on future water demands of the U.S. electric-sector. Our findings include: 1) decreasing water withdrawals and increasing water consumption from the conversion from open-loop to closed-loop cooling systems; 2) different energy-sector water demand behaviors with alternative pathways to the mitigation goal; 3) open trading of electricity benefiting energy-scarce yet demand-intensive states; 4) across-state homogeneity under certain driving forces (e.g., climate mitigation and water-saving technologies) and mixed effects under other drivers (e.g. electricity trade); and 5) a clear trade-off between water consumption and withdrawal for the electricity sector in the U.S. The paper discusses this withdrawal-consumption trade-off in the context of current national policies and regulations that favor decreasing withdrawals (and increasing consumptive use), and the role of water-saving technologies. The study also clearly shows that climate mitigation strategies focusing on CCS and nuclear power will have less favorable water consumption effects than strategies that support renewable energy and water-saving technologies. The highly-resolved nature of this study, both geographically and technologically, provides a useful platform to address scientific and policy-relevant and emerging issues at the heart of the water-energy nexus in the U.S. (C) 2014 Elsevier Inc. All rights reserved. C1 [Liu, Lu; Hejazi, Mohamad; Kyle, Page; Zhou, Yuyu; Clarke, Leon; Edmonds, James] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Davies, Evan] Univ Alberta, Dept Civil & Environm Engn, CNRL Nat Resources Engn Facil, Edmonton, AB T6G 2W2, Canada. RP Liu, L (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, 5825 Univ Res Court,Suite 3500, College Pk, MD 20740 USA. RI Davies, Evan/A-3379-2008 OI Davies, Evan/0000-0003-0536-333X FU Office of Science of the U.S. Department of Energy through the Integrated Assessment Research Program as part of the Regional Integrated Assessment Modeling (RIAM) project [KP1703030]; Platform for Regional Integrated Modeling and Analysis Initiative (PRIMA); DOE [DE-AC05-76RL01830] FX This research was supported by the Office of Science of the U.S. Department of Energy through the Integrated Assessment Research Program as part of the Regional Integrated Assessment Modeling (RIAM) project (KP1703030). This research leveraged capabilities that were funded by the Platform for Regional Integrated Modeling and Analysis Initiative (PRIMA), which was conducted under the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL). PNNL is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. The views and opinions expressed in this paper are those of the authors alone. NR 48 TC 6 Z9 6 U1 10 U2 45 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0040-1625 EI 1873-5509 J9 TECHNOL FORECAST SOC JI Technol. Forecast. Soc. Chang. PD MAY PY 2015 VL 94 BP 318 EP 334 DI 10.1016/j.techfore.2014.11.004 PG 17 WC Business; Planning & Development SC Business & Economics; Public Administration GA CI8SP UT WOS:000355042300019 ER PT J AU Ye, JY Johnson, JK AF Ye, Jingyun Johnson, J. Karl TI Design of Lewis Pair-Functionalized Metal Organic Frameworks for CO2 Hydrogenation SO ACS CATALYSIS LA English DT Article DE catalytic reduction of CO2; UiO-66; Lewis acids; Lewis bases; density functional theory; metal-free catalysis ID ZIRCONIUM TEREPHTHALATE UIO-66(ZR); CARBON-DIOXIDE SEPARATION; HETEROGENEOUS CATALYSIS; POROUS MATERIALS; FORMIC-ACID; ACTIVATION; REDUCTION; METHANOL; STABILITY; MECHANISM AB Efficient catalytic reduction of CO2 is critical for the large-scale utilization of this greenhouse gas. We have used density functional electronic structure methods to design a catalyst for producing formic acid from CO2 and H-2 via a two-step pathway having low reaction barriers. The catalyst consists of a microporous metal organic framework that is functionalized with Lewis pair moieties. These functional groups are capable of chemically binding CO2 and heterolytically dissociating H-2. Our calculations indicate that the porous framework remains stable after functionalization and chemisorption of CO2 and H-2. We have identified a low barrier pathway for simultaneous addition of hydridic and protic hydrogens to carbon and oxygen of CO2, respectively, producing a physisorbed HCOOH product in the pore. We find that activating H-2 by dissociative adsorption leads to a much lower energy pathway for hydrogenating CO2 than reacting H-2 with chemisorbed CO2. Our calculations provide design strategies for efficient catalysts for CO2 reduction. C1 [Ye, Jingyun; Johnson, J. Karl] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Johnson, J. Karl] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Johnson, JK (reprint author), Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. EM karlj@pitt.edu RI Johnson, Karl/E-9733-2013 OI Johnson, Karl/0000-0002-3608-8003 FU U.S. Department of Energy [DE-FG02-10ER16165]; Extreme Science and Engineering Discovery Environment (XSEDE) [TG-CHE140046] FX We gratefully acknowledge the support from the U.S. Department of Energy (Grant No. DE-FG02-10ER16165). We thank N. L. Rosi, E. J. Beckman, and J. A. Keith for many helpful discussions. The computations were performed at the University of Pittsburgh's Center for Simulation & Modeling and at the Extreme Science and Engineering Discovery Environment (XSEDE) under project TG-CHE140046. NR 76 TC 20 Z9 21 U1 23 U2 176 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 MAY PY 2015 VL 5 IS 5 BP 2921 EP 2928 DI 10.1021/acscatal.5b00396 PG 8 WC Chemistry, Physical SC Chemistry GA CH4OG UT WOS:000354012200032 ER PT J AU Li, Y Wei, ZH Gao, F Kovarik, L Baylon, RAL Peden, CHF Wang, Y AF Li, Yan Wei, Zhehao Gao, Feng Kovarik, Libor Baylon, Rebecca A. L. Peden, Charles H. F. Wang, Yong TI Effect of Oxygen Defects on the Catalytic Performance of VOx/CeO2 Catalysts for Oxidative Dehydrogenation of Methanol SO ACS CATALYSIS LA English DT Article DE ceria nanocubes; (100); VOx catalysts; methanol; ODH ID SUPPORTED VANADIA CATALYSTS; DEFINED SURFACE PLANES; SELECTIVE OXIDATION; ELECTRONIC-STRUCTURE; RAMAN-SPECTROSCOPY; OXIDE CATALYSTS; CERIA; NANOCRYSTALS; PROPANE AB In this work, CeO2 nanocubes with controlled particle size and dominating (100) facets are synthesized as supports for VOx catalysts. Combined TEM, SEM, XRD, and Raman study reveals that the oxygen vacancy density of CeO2 supports can be tuned by tailoring the particle sizes without altering the dominating facets, where smaller particle sizes result in larger oxygen vacancy densities. At the same vanadium coverage, the VOx catalysts supported on small-sized CeO2 supports with higher oxygen defect densities exhibit promoted redox property and lower activation energy for methoxyl group decomposition, as evidenced by H-2-TPR and methanol TPD study. These results further confirm that the presence of oxygen vacancies plays an important role in promoting the activity of VOx species in methanol oxidation. C1 [Li, Yan; Wei, Zhehao; Baylon, Rebecca A. L.; Wang, Yong] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA. [Gao, Feng; Kovarik, Libor; Peden, Charles H. F.; Wang, Yong] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99354 USA. RP Gao, F (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99354 USA. EM feng.gao@pnnl.gov; yong.wang@pnnl.gov RI Wei, Zhehao/L-2801-2013; Kovarik, Libor/L-7139-2016 OI Wei, Zhehao/0000-0002-9670-4752; FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; DOE's Office of Biological and Environmental Research FX We gratefully acknowledge financial support from the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Part of this work was conducted in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for the DOE by Battelle. NR 31 TC 10 Z9 10 U1 17 U2 88 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 MAY PY 2015 VL 5 IS 5 BP 3006 EP 3012 DI 10.1021/cs502084g PG 7 WC Chemistry, Physical SC Chemistry GA CH4OG UT WOS:000354012200042 ER PT J AU Gumuslu, G Kondratyuk, P Boes, JR Morreale, B Miller, JB Kitchin, JR Gellman, AJ AF Gumuslu, G. Kondratyuk, P. Boes, J. R. Morreale, B. Miller, J. B. Kitchin, J. R. Gellman, A. J. TI Correlation of Electronic Structure with Catalytic Activity: H-2-D-2 Exchange across CuxPd1-x Composition Space SO ACS CATALYSIS LA English DT Article DE hydrogen; palladium; alloys; electronic structure; catalysis; membranes; adsorption ID HIGH-THROUGHPUT CHARACTERIZATION; DENSITY-FUNCTIONAL THEORY; PALLADIUM ALLOY SURFACES; AUGMENTED-WAVE METHOD; COMPOSITION-SPREAD; METAL-SURFACES; INORGANIC MATERIALS; CHEMICAL-PROPERTIES; CO CHEMISORPTION; 1ST PRINCIPLES AB The relationship between alloy catalyst activity and valence band electronic structure has been investigated experimentally across a broad, continuous span of CuxPd1-x composition space. CuxPd1-x composition spread alloy films (CSAFs) were used as catalyst libraries with a 100 channel microreactor to measure the H-2-D-2 exchange kinetics over a temperature range of 333-593 K at 100 discrete CuxPd1-x compositions spanning the range x = 0.30-0.97. The H-2-D-2 exchange activity exhibits a monotonic decrease over the composition range x = 0.30-0.97. A steady state, microkinetic model was used to estimate the energy barriers to dissociative H-2 adsorption, Delta E-ads(double dagger), and recombinative H-2 desorption, Delta E-des(double dagger), as functions of alloy composition, x. Their values fall in the ranges Delta E-ads(double dagger)(x) = 0.15 to 0.45 eV and Delta E-des(double dagger) (x) = 0.55-0.65 eV. Spatially resolved UV photoemission spectra were obtained from the CuxPd1-x CSAF and used to estimate the average energy of the filled states of the valence band as a function of alloy composition, epsilon(v)(x). The energy of the v-band center shifted monotonically from epsilon(v) = -3.3 to -3.9 eV across the composition range x = 0.30-0.97. This monotonic shift and its magnitude were corroborated by DFT calculations. The correlation of Delta E-ads(double dagger)(x) with epsilon(v)(x) across alloy composition space yields Delta E-ads(double dagger)(epsilon(v)) which decreases as the v-band energy shifts toward the Fermi level. C1 [Gumuslu, G.; Kondratyuk, P.; Boes, J. R.; Morreale, B.; Miller, J. B.; Kitchin, J. R.; Gellman, A. J.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Morreale, B.; Miller, J. B.; Kitchin, J. R.; Gellman, A. J.] DOE Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Gellman, AJ (reprint author), Carnegie Mellon Univ, Dept Chem Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA. EM gellman@cmu.edu RI Kitchin, John/A-2363-2010; Gellman, Andrew/M-2487-2014 OI Kitchin, John/0000-0003-2625-9232; Gellman, Andrew/0000-0001-6618-7427 FU RES [DE-FE0004000]; DOE Office of Science Early Career Research program [DE-SC0004031]; National Science Foundation [CBET 1033804] 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. J.RK. gratefully acknowledges partial support from the DOE Office of Science Early Career Research program (DE-SC0004031). JBM gratefully acknowledges partial support from the National Science Foundation (CBET 1033804). NR 97 TC 1 Z9 1 U1 2 U2 18 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 MAY PY 2015 VL 5 IS 5 BP 3137 EP 3147 DI 10.1021/cs5015861 PG 11 WC Chemistry, Physical SC Chemistry GA CH4OG UT WOS:000354012200057 ER PT J AU Elliott, DC Wang, HM AF Elliott, Douglas C. Wang, Huamin TI Hydrocarbon Liquid Production via Catalytic Hydroprocessing of Phenolic Oils Fractionated from Fast Pyrolysis of Red Oak and Corn Stover SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Biomass; Pyrolysis; Fractionation; Hydrotreating; Catalysis; Fuels ID BIO-OIL; STAGE FRACTIONS; HYDRODEOXYGENATION; BIOMASS; SUGARS AB Phenolic oils were produced from fast pyrolysis of two different biomass feedstocks, red oak and corn stover, and evaluated in hydroprocessing tests for production of liquid hydrocarbon products. The phenolic oils were produced with a bio-oil fractionating process in combination with a simple water wash of the heavy ends from the fractionating process. Phenolic oils derived from the pyrolysis of red oak and corn stover were recovered with yields (wet biomass basis) of 28.7 and 14.9 wt %, respectively, and 54.3% and 60.0% on a carbon basis. Both precious metal catalysts and sulfided base metal catalyst were evaluated for hydrotreating the phenolic oils, as an extrapolation from whole bio-oil hydrotreatment. They were effective in removing heteroatoms with carbon yields as high as 81% (unadjusted for the 90% carbon balance). There was substantial heteroatom removal with residual O of only 0.4% to 5%, while N and S were reduced to less than 0.05%. Use of the precious metal catalysts resulted in more saturated products less completely hydrotreated compared to the sulfided base metal catalyst, which was operated at higher temperature. The liquid product was 42-52% gasoline range molecules and about 43% diesel range molecules. Particulate matter in the phenolic oils complicated operation of the reactors, causing plugging in the fixed-beds especially for the corn stover phenolic oil. This difficulty contrasts with the catalyst bed fouling and plugging, which is typically seen with hydrotreatment of whole bio-oil. This problem was substantially alleviated by filtering the phenolic oils before hydrotreating. More thorough washing of the phenolic oils during their preparation from the heavy ends of bio-oil or online filtration of pyrolysis vapors to remove particulate matter before condensation of the bio-oil fractions is recommended. C1 [Elliott, Douglas C.; Wang, Huamin] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Elliott, DC (reprint author), Pacific NW Natl Lab, POB 999,MSIN P8-60, Richland, WA 99352 USA. EM dougc.elliott@pnnl.gov FU U.S. Department of Energy, Bio-oil Stabilization and Commoditization FOA [0686, EE0006066]; Iowa State University (ISU); Pacific Northwest National Laboratory (PNNL) [DE-AC05-76RL01830]; Bioenergy Technologies Office FX This work was supported by the U.S. Department of Energy as part of the Bio-oil Stabilization and Commoditization FOA #0686 under Contract No. EE0006066 with Iowa State University (ISU) and Contract No. DE-AC05-76RL01830 at the Pacific Northwest National Laboratory (PNNL). The authors gratefully acknowledge the support of the Bioenergy Technologies Office and program manager Prasad Gupta. Andrew Friend, Jordan Funkhouser, and Martin Haverly at ISU are acknowledged for their participation in production of the pyrolysis fractions as well as Hannah Pinnt, John Hoyt, and Christine Thomas in their contribution to bio-oil characterization. Suh-Jane Lee and Asanga Padmaperuma at PNNL are acknowledged for their participation in the operations of the mini-hydrotreater. NR 23 TC 16 Z9 16 U1 4 U2 38 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2168-0485 J9 ACS SUSTAIN CHEM ENG JI ACS Sustain. Chem. Eng. PD MAY PY 2015 VL 3 IS 5 BP 892 EP 902 DI 10.1021/acssuschemeng.5b00015 PG 11 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA CH5JU UT WOS:000354072700012 ER PT J AU Pines, G Pines, A Garst, AD Zeitoun, RI Lynch, SA Gill, RT AF Pines, Gur Pines, Assaf Garst, Andrew D. Zeitoun, Ramsey I. Lynch, Sean A. Gill, Ryan T. TI Codon Compression Algorithms for Saturation Mutagenesis SO ACS SYNTHETIC BIOLOGY LA English DT Article DE saturation mutagenesis; library size; codon redundancy; codon usage; genome editing; CRISPR selection ID RANDOMIZED GENE LIBRARIES; PROTEIN EXPRESSION; ESCHERICHIA-COLI; MESSENGER-RNA; EVOLUTION; USAGE; CONSTRUCTION; OPTIMIZATION; TRANSLATION; STRATEGIES AB Saturation mutagenesis is employed in protein engineering and genome-editing efforts to generate libraries that span amino acid design space. Traditionally, this is accomplished by using degenerate/compressed codons such as NNK (N = A/C/G/T, K = G/T), which covers all amino acids and one stop codon. These solutions suffer from two types of redundancy: (a) different codons for the same amino acid lead to bias, and (b) wild type amino acid is included within the library. These redundancies increase library size and downstream screening efforts. Here, we present a dynamic approach to compress codons for any desired list of amino acids, taking into account codon usage. This results in a unique codon collection for every amino acid to be mutated, with the desired redundancy level. Finally, we demonstrate that this approach can be used to design precise oligo libraries amendable to recombineering and CRISPR-based genome editing to obtain a diverse population with high efficiency. C1 [Pines, Gur; Garst, Andrew D.; Zeitoun, Ramsey I.; Lynch, Sean A.; Gill, Ryan T.] Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80309 USA. [Lynch, Sean A.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. RP Gill, RT (reprint author), Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80309 USA. EM rtg@colorado.edu OI PINES, GUR/0000-0002-1757-6722 FU U.S. Department of Energy [DOE-FOA-0000640] FX This work was funded by the U.S. Department of Energy Grant DOE-FOA-0000640. We thank Emily Freed for helping in the manuscript preparation. NR 48 TC 10 Z9 11 U1 3 U2 17 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 MAY PY 2015 VL 4 IS 5 BP 604 EP 614 DI 10.1021/s13500282v PG 11 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA CI6ZP UT WOS:000354913000013 PM 25303315 ER PT J AU Everett, SM Rawn, CJ Chakoumakos, BC Keefer, DJ Huq, A Phelps, TJ AF Everett, S. Michelle Rawn, Claudia J. Chakoumakos, Bryan C. Keefer, David J. Huq, Ashfia Phelps, Tommy J. TI Insights into the structure of mixed CO2/CH4 in gas hydrates SO AMERICAN MINERALOGIST LA English DT Article DE Neutron diffraction; methane hydrate; carbon dioxide/methane exchange; Fourier density maps ID DIOXIDE CLATHRATE HYDRATE; CARBON-DIOXIDE; METHANE HYDRATE; MOLECULAR SIMULATION; PHASE-EQUILIBRIA; LIQUID CO2; C-13 NMR; REPLACEMENT; ENERGY; CH4 AB The exchange of carbon dioxide for methane in natural gas hydrates is an attractive approach to harvesting CH4 for energy production while simultaneously sequestering CO2. In addition to the energy and environmental implications, the solid solution of clathrate hydrate (CH4)(1-x)(CO2)(x)center dot 5.75H(2)O provides a model system to study how the distinct bonding and shapes of CH4 and CO2 influence the structure and properties of the compound. High-resolution neutron diffraction was used to examine mixed CO2/CH4 gas hydrates. CO2-rich hydrates had smaller lattice parameters, which were attributed to the higher affinity of the CO2 molecule interacting with H2O molecules that form the surrounding cages, and resulted in a reduction in the unit-cell volume. Experimental nuclear scattering densities illustrate how the cage occupants and energy landscape change with composition. These results provide important insights on the impact and mechanisms for the structure of mixed CH4/CO2 gas hydrate. C1 [Everett, S. Michelle; Rawn, Claudia J.; Keefer, David J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Rawn, Claudia J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Chakoumakos, Bryan C.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Huq, Ashfia] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Phelps, Tommy J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Rawn, CJ (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM crawn@utk.edu RI Chakoumakos, Bryan/A-5601-2016; Huq, Ashfia/J-8772-2013 OI Chakoumakos, Bryan/0000-0002-7870-6543; Huq, Ashfia/0000-0002-8445-9649 FU National Science Foundation [DGE0801470]; Spallation Neutron Source through the Scientific User Facilities Division, Office of Basic Energy Sciences; Office of Fossil Energy through Field Work Proposal FEAB111 "Hydrate Formation and Dissociation in Simulated and Field Samples." FX S.M.E. was supported by National Science Foundation Grant No. DGE0801470, "Sustainable Technology through Advanced Interdisciplinary Research" (STAIR), awarded to the University of Tennessee, Knoxville. Oak Ridge National Laboratory is managed by UT-Battelle LLC, for the U.S. Department of Energy, which provided support of the Spallation Neutron Source through the Scientific User Facilities Division, Office of Basic Energy Sciences, and additional support by the Office of Fossil Energy through Field Work Proposal FEAB111 "Hydrate Formation and Dissociation in Simulated and Field Samples." NR 40 TC 3 Z9 3 U1 3 U2 40 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X EI 1945-3027 J9 AM MINERAL JI Am. Miner. PD MAY-JUN PY 2015 VL 100 IS 5-6 BP 1203 EP 1208 DI 10.2138/am-2015-4929 PG 6 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA CI3RS UT WOS:000354665700022 ER PT J AU Yang, G Gu, G Bolotnikov, AE Cui, YG Camarda, GS Hossain, A Roy, UN Kivi, N Liu, TS James, RB AF Yang, Ge Gu, Genda Bolotnikov, Aleksey E. Cui, Yonggang Camarda, Giuseppe S. Hossain, Anwar Roy, Utpal N. Kivi, Nicholas Liu, Tiansheng James, Ralph B. TI Structural, Electrical, and Optical Properties of CdMnTe Crystals Grown by Modified Floating-Zone Technique SO ELECTRONIC MATERIALS LETTERS LA English DT Article DE CdMnTe; floating-zone growth; Te inclusions; twin boundaries; radiation detectors ID BRIDGMAN METHOD; HEAT-TRANSFER; FLUID-FLOW; X-RAY; INTERFACE; CDZNTE; DETECTORS; DIAMETER AB Cadmium manganese telluride (CdMnTe or CMT), a compound semiconductor, is considered a promising material for the fabrication of high-performance room-temperature x-ray and gamma-ray detectors. The presence of material defects, e.g., high density of Te inclusions, has been a long-standing issue in CMT crystals grown by various Bridgman methods, since these defects degrade the device performance via charge-trapping. To address this issue, we employed the modified floating-zone method (MTZ) to grow CMT crystals and obtained as-grown crystals free of Te inclusions. This represents a new and distinct feature, absence of Te inclusions, compared to CMT crystals grown by Bridgman methods. White-beam x-ray diffraction topography (WBXDT) measurements demonstrated the existence of a high stress field within the MFZ-grown CMT crystals, which originates from the steep temperature gradient near the growth interface. Furthermore, we achieved a resistivity of 10(9) Omega cm for the MFZ-grown CMT crystals. The low-temperature photoluminescence (PL) measurements show that the intensity of the dislocation-related Y band is much higher than that of the principal exciton peaks, (D-0,X) and (A(0),X), confirming that the crystalline quality is affected by the high stress field. A long-term in-situ or post-growth thermal annealing will help to release such stress to improve the crystalline quality. C1 [Yang, Ge; Gu, Genda; Bolotnikov, Aleksey E.; Cui, Yonggang; Camarda, Giuseppe S.; Hossain, Anwar; Roy, Utpal N.; Kivi, Nicholas; Liu, Tiansheng; James, Ralph B.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Kivi, Nicholas] Univ Tennessee, Knoxville, TN 37916 USA. RP Yang, G (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM gyang@bnl.gov FU U.S. Department of Energy, Office of Defense Nuclear Nonproliferation Research & Development, DNN RD; U.S. Department of Energy [DE-AC02-98CH1-886] FX This work was supported by the U.S. Department of Energy, Office of Defense Nuclear Nonproliferation Research & Development, DNN R&D. The manuscript has been authored by Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CH1-886 with the U.S. Department of Energy. NR 19 TC 1 Z9 1 U1 4 U2 24 PU KOREAN INST METALS MATERIALS PI SEOUL PA KIM BLDG 6TH FLOOR, SEOCHO-DAERO 56 GIL 38, SEOCHO-GU, SEOUL 137-881, SOUTH KOREA SN 1738-8090 EI 2093-6788 J9 ELECTRON MATER LETT JI Electron. Mater. Lett. PD MAY PY 2015 VL 11 IS 3 BP 500 EP 504 DI 10.1007/s13391-015-4261-4 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA CI5VO UT WOS:000354828100025 ER PT J AU Xue, Z Hu, LB Amine, K Zhang, ZC AF Xue, Zheng Hu, Libo Amine, Khalil Zhang, Zhengcheng TI High-Speed Fabrication of Lithium-Ion Battery Electrodes by UV-Curing SO ENERGY TECHNOLOGY LA English DT Article DE binder; lithium-ion batteries; polysiloxane; solvent removal; UV-curing ID GEL-POLYMER ELECTROLYTE; NEGATIVE ELECTRODES; BINDERS; PERFORMANCE; CELLULOSE AB In this study, UV-curing was investigated as an alternative method to provide fast production of composite cathodes and significantly reduce the time and energy required for solvent removal in lithium-ion battery fabrication. To serve our purpose, low-molecular-weight polysiloxane acrylate (PSA) was designed and synthesized from a polysiloxane epoxide precursor. In the presence of the acrylic acid additive LiNi1/3Mn1/3Co1/3O2 (NMC), electrode laminates containing 10wt% PSA binder were successfully fabricated by UV-curing. The cured electrode exhibited good mechanical and electrochemical properties. At current rates up to C/3, the cell performance of the UV-cured NMC electrode was comparable to that of conventional polyvinylidene fluoride (PVDF)-bound NMC electrode. Our initial success in applying high-speed UV-curing in composite electrode fabrication has proved that it is a promising route to substantially reducing the capital and operation costs of lithium-ion battery electrode manufacturing and additionally bringing about important environmental benefits. C1 [Xue, Zheng; Hu, Libo; Amine, Khalil; Zhang, Zhengcheng] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Zhang, ZC (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zzhang@anl.gov FU U.S. Department of Energy, Vehicle Technologies Office; U.S. Department of Energy [DE-AC02-06CH11357] FX This research is supported by the U.S. Department of Energy, Vehicle Technologies Office. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne LLC, under contract DE-AC02-06CH11357. The electron microscopy was accomplished at the Electron Microscopy Center at Argonne National Laboratory. The authors acknowledge Dr. John Arnold (Miltec UV International, LLC) for helpful discussions. NR 20 TC 1 Z9 1 U1 7 U2 37 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 2194-4288 EI 2194-4296 J9 ENERGY TECHNOL-GER JI Energy Technol. PD MAY PY 2015 VL 3 IS 5 BP 469 EP 475 DI 10.1002/ente.201402210 PG 7 WC Energy & Fuels SC Energy & Fuels GA CI4RN UT WOS:000354740300002 ER PT J AU Stegen, JC Lin, XJ Fredrickson, JK Konopka, AE AF Stegen, James C. Lin, Xueju Fredrickson, Jim K. Konopka, Allan E. TI Estimating and mapping ecological processes influencing microbial community assembly SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE ecological niche theory; ecological neutral theory; Hanford Site 300 Area; microbial biogeography; null modeling; phylogenetic beta-diversity; phylogenetic signal; Raup-Crick ID BETA DIVERSITY; PHYLOGENETIC STRUCTURE; SPATIAL PROCESSES; SPECIES RICHNESS; DYNAMICS; FOREST; NICHE; BIOGEOGRAPHY; ENVIRONMENT; DISPERSAL AB Ecological community assembly is governed by a combination of (i) selection resulting from among-taxa differences in performance; (ii) dispersal resulting from organismal movement; and (iii) ecological drift resulting from stochastic changes in population sizes. The relative importance and nature of these processes can vary across environments. Selection can be homogeneous or variable, and while dispersal is a rate, we conceptualize extreme dispersal rates as two categories; dispersal limitation results from limited exchange of organisms among communities, and homogenizing dispersal results from high levels of organism exchange. To estimate the influence and spatial variation of each process we extend a recently developed statistical framework, use a simulation model to evaluate the accuracy of the extended framework, and use the framework to examine subsurface microbial communities over two geologic formations. For each subsurface community we estimate the degree to which it is influenced by homogeneous selection, variable selection, dispersal limitation, and homogenizing dispersal. Our analyses revealed that the relative influences of these ecological processes vary substantially across communities even within a geologic formation. We further identify environmental and spatial features associated with each ecological process, which allowed mapping of spatial variation in ecological-process-influences. The resulting maps provide a new lens through which ecological systems can be understood; in the subsurface system investigated here they revealed that the influence of variable selection was associated with the rate at which redox conditions change with subsurface depth. C1 [Stegen, James C.; Lin, Xueju; Fredrickson, Jim K.; Konopka, Allan E.] Pacific NW Natl Lab, Div Biol Sci, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. RP Stegen, JC (reprint author), Pacific NW Natl Lab, Div Biol Sci, Fundamental & Computat Sci Directorate, 902 Battelle Blvd, Richland, WA 99352 USA. EM james.stegen@pnnl.gov RI Stegen, James/Q-3078-2016 OI Stegen, James/0000-0001-9135-7424 FU Linus Pauling Distinguished Postdoctoral Fellowship program at PNNL; U.S. Department of Energy (DOE), Office of Biological and Environmental Research (BER), as part of Subsurface Biogeochemistry Research Program's Scientific Focus Area (SFA); Integrated Field-Scale Research Challenge (IFRC) at the Pacific Northwest National Laboratory (PNNL); DOE [DE-AC06-76RLO 1830] FX A portion of the research described in this paper was conducted under the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL), a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy. JS is grateful for the support of the Linus Pauling Distinguished Postdoctoral Fellowship program at PNNL. A portion of the research was performed using Institutional Computing at PNNL. This research was further supported by the U.S. Department of Energy (DOE), Office of Biological and Environmental Research (BER), as part of Subsurface Biogeochemistry Research Program's Scientific Focus Area (SFA), and Integrated Field-Scale Research Challenge (IFRC) at the Pacific Northwest National Laboratory (PNNL). PNNL is operated for DOE by Battelle under contract DE-AC06-76RLO 1830. NR 47 TC 8 Z9 8 U1 10 U2 60 PU FRONTIERS RESEARCH FOUNDATION PI LAUSANNE PA PO BOX 110, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD MAY 1 PY 2015 VL 6 AR 370 DI 10.3389/fmicb.2015.00370 PG 15 WC Microbiology SC Microbiology GA CI8FO UT WOS:000355005700001 PM 25983725 ER PT J AU Xu, F Guo, B Xu, ZX Tolbert, LM Wang, F Blalock, BJ AF Xu, Fan Guo, Ben Xu, Zhuxian Tolbert, Leon M. Wang, Fei Blalock, Benjamin J. TI Paralleled Three-Phase Current-Source Rectifiers for High-Efficiency Power Supply Applications SO IEEE TRANSACTIONS ON INDUSTRY APPLICATIONS LA English DT Article DE Data center power supply; high efficiency; paralleled current-source rectifiers (CSRs); silicon carbide (SiC) ID DC DISTRIBUTION; BUCK RECTIFIER; PWM RECTIFIER; INVERTERS; OPERATION; SYSTEMS; STRATEGY AB This paper presents the paralleling operation of three-phase current-source rectifiers (CSRs) as the front-end power conversion stage of data center power supply systems based on 400-V-dc power delivery architecture, which has been proven to have higher efficiency than traditional ac architectures. A control algorithm of paralleled three-phase CSRs is introduced to achieve balanced outputs and individual rectifier module hot swap, which are required by power supply systems. By using silicon carbide (SiC) power semiconductors, SiC MOSFETs, and Schottky diodes, the power losses of the front-end stage are reduced, and the power supply system efficiency can be further increased. The prototype of a 19-kW front-end rectifier to convert 480 V-ac,V-rms to 400 V-dc, based on three paralleled three-phase CSRs, is developed. Each CSR is an all-SiC converter and designed for high efficiency, and the front-end stage full-load efficiency is greater than 98% from experimental tests. The balanced outputs and individual converter hot swap are realized in the hardware prototype too. C1 [Xu, Fan; Xu, Zhuxian] Ford Motor Co, Dearborn, MI 48124 USA. [Guo, Ben] United Technol Res Ctr, Hartford, CT 06103 USA. [Tolbert, Leon M.; Wang, Fei; Blalock, Benjamin J.] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Tolbert, Leon M.; Wang, Fei] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Xu, F (reprint author), Ford Motor Co, Dearborn, MI 48124 USA. EM fxu6@vols.utk.edu; bguo@utk.edu; zxu11@vols.utk.edu; tolbert@utk.edu; fred.wang@utk.edu; bblalock@utk.edu OI Tolbert, Leon/0000-0002-7285-609X FU U.S. Department of Energy under NSF [EEC-1041877] FX This work made use of engineering research center shared facilities supported in part by the Engineering Research Center Program of the National Science Foundation (NSF) and the U.S. Department of Energy under NSF Award EEC-1041877 and in part by the Center for Ultra-Wide-Area Resilient Electric Energy Transmission Networks (CURENT) Industry Partnership Program. NR 20 TC 2 Z9 2 U1 1 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-9994 EI 1939-9367 J9 IEEE T IND APPL JI IEEE Trans. Ind. Appl. PD MAY-JUN PY 2015 VL 51 IS 3 BP 2388 EP 2397 DI 10.1109/TIA.2014.2385936 PG 10 WC Engineering, Multidisciplinary; Engineering, Electrical & Electronic SC Engineering GA CI7LJ UT WOS:000354944600048 ER PT J AU Ratcliff, LE Grisanti, L Genovese, L Deutsch, T Neumann, T Danilov, D Wenzel, W Beljonne, D Cornil, J AF Ratcliff, Laura E. Grisanti, Luca Genovese, Luigi Deutsch, Thierry Neumann, Tobias Danilov, Denis Wenzel, Wolfgang Beljonne, David Cornil, Jerome TI Toward Fast and Accurate Evaluation of Charge On-Site Energies and Transfer Integrals in Supramolecular Architectures Using Linear Constrained Density Functional Theory (CDFT)-Based Methods SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID LIGHT-EMITTING DEVICES; ORGANIC SEMICONDUCTORS; GLOBAL OPTIMIZATION; ELECTRON-TRANSFER; TRANSPORT; CLUSTERS; GLASSES; STATE AB A fast and accurate scheme has been developed to evaluate two key molecular parameters (on-site energies and transfer integrals) that govern charge transport in organic supramolecular architecture devices. The scheme is based on a constrained density functional theory (CDFT) approach implemented in the linear-scaling BigDFT code that exploits a wavelet basis set. The method has been applied to model disordered structures generated by force-field simulations. The role of the environment on the transport parameters has been taken into account by building large clusters around the active molecules involved in the charge transfer. C1 [Ratcliff, Laura E.; Genovese, Luigi; Deutsch, Thierry] Univ Grenoble Alpes, INAC SP2M, L Sim, F-38000 Grenoble, France. [Ratcliff, Laura E.; Genovese, Luigi; Deutsch, Thierry] CEA, INAC SP2M, L Sim, F-38000 Grenoble, France. [Grisanti, Luca; Beljonne, David; Cornil, Jerome] Univ Mons, Lab Chem Novel Mat, B-7000 Mons, Belgium. [Grisanti, Luca] Abdus Salam Int Ctr Theoret Phys ICTP, I-34151 Trieste, Italy. [Neumann, Tobias; Danilov, Denis; Wenzel, Wolfgang] Karlsruhe Inst Technol, Inst Nanotechnol, D-76344 Eggenstein Leopoldshafen, Germany. RP Ratcliff, LE (reprint author), Argonne Natl Lab, Argonne Leadership Comp Facil, 9700 S Cass Ave, Argonne, IL 60439 USA. EM lratcliff@anl.gov; lgrisant@ictp.it; jerome.cornil@umons.ac.be RI Danilov, Denis/C-1373-2009; Genovese, Luigi/C-5937-2011; Deutsch, Thierry/A-6077-2009; Grisanti, Luca/O-4172-2016; Wenzel, Wolfgang/B-3207-2009 OI Genovese, Luigi/0000-0003-1747-0247; Deutsch, Thierry/0000-0001-7503-3390; Grisanti, Luca/0000-0003-4311-4676; Wenzel, Wolfgang/0000-0001-9487-4689 FU European Project MMM@HPC [FP7-RI-261594]; Inter-university Attraction Pole Program of the Belgian Federal Science Policy Office [PAT 6/27]; Belgian National Fund for Scientific Research (FNRS); ANR [ANR-AA08-COSI-015, ANR-2010-COSI-005-01]; Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357]; Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory by Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725]; European PRACE-2IP [FP7-RI-283493]; Helmholtz Association; Ministry for Science, Research and Arts Baden-Wuerttemberg (Ministerium fuer Wissenschaft, Forschung und Kunst Baden-Wuerttemberg) via the Landesgraduiertenfoerderung FX The work in Mons and at KIT has been supported by the European Project MMM@HPC(FP7-RI-261594), the Inter-university Attraction Pole Program of the Belgian Federal Science Policy Office (No. PAT 6/27), and the Belgian National Fund for Scientific Research (FNRS). The work in CEA has been supported by funding from the ANR projects SAMSON (No. ANR-AA08-COSI-015) and NEWCASTLE (No. ANR-2010-COSI-005-01). 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 No. DE-AC02-06CH11357 and Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy, under Contract No. DE-AC05-00OR22725. Part of the calculations, including tests, were also run on HPC resources available within the MOLED project granted by European PRACE-2IP (No. FP7-RI-283493). J.C. and D.B. are FNRS research directors. T.N. thanks the BioInterfaces International Graduate School within the BioInterfaces programme at KIT, funded by the Helmholtz Association, for support and the Ministry for Science, Research and Arts Baden-Wuerttemberg (Ministerium fuer Wissenschaft, Forschung und Kunst Baden-Wuerttemberg) for funding via the Landesgraduiertenfoerderung. L.E.R. thanks Stephan Mohr for assistance with the spin-polarized calculations. NR 46 TC 9 Z9 9 U1 2 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD MAY PY 2015 VL 11 IS 5 BP 2077 EP 2086 DI 10.1021/acs.jctc.5b00057 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CI2LK UT WOS:000354578900011 PM 26574411 ER PT J AU Ramakrishnan, R Dral, PO Rupp, M von Lilienfeld, OA AF Ramakrishnan, Raghunathan Dral, Pavlo O. Rupp, Matthias von Lilienfeld, O. Anatole TI Big Data Meets Quantum Chemistry Approximations: The Delta-Machine Learning Approach SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID CHEMICAL SPACE; SEMIEMPIRICAL METHODS; MOLECULAR-ENERGIES; DESIGN; METHODOLOGY AB Chemically accurate and comprehensive studies of the virtual space of all possible molecules are severely limited by the computational cost of quantum chemistry. We introduce a composite strategy that adds machine learning corrections to computationally inexpensive approximate legacy quantum methods. After training, highly accurate predictions of enthalpies, free energies, entropies, and electron correlation energies are possible, for significantly larger molecular sets than used for training. For thermochemical properties of up to 16k isomers of C7H10O2 we present numerical evidence that chemical accuracy can be reached. We also predict electron correlation energy in post Hartree-Fock methods, at the computational cost of HartreeFock, and we establish a qualitative relationship between molecular entropy and electron correlation. The transferability of our approach is demonstrated, using semiempirical quantum chemistry and machine learning models trained on 1 and 10% of 134k organic molecules, to reproduce enthalpies of all remaining molecules at density functional theory level of accuracy. C1 [Ramakrishnan, Raghunathan; Rupp, Matthias; von Lilienfeld, O. Anatole] Univ Basel, Inst Phys Chem, CH-4056 Basel, Switzerland. [Ramakrishnan, Raghunathan; Rupp, Matthias; von Lilienfeld, O. Anatole] Univ Basel, Natl Ctr Computat Design & Discovery Novel Mat, Dept Chem, CH-4056 Basel, Switzerland. [Dral, Pavlo O.] Max Planck Inst Kohlenforsch, D-45470 Mulheim, Germany. [Dral, Pavlo O.] Univ Erlangen Nurnberg, Comp Chem Ctr, D-91052 Erlangen, Germany. [Dral, Pavlo O.] Univ Erlangen Nurnberg, Dept Chem & Pharm, Interdisciplinary Ctr Mol Mat, D-91052 Erlangen, Germany. [von Lilienfeld, O. Anatole] Argonne Natl Lab, Argonne Leadership Comp Facil, Lemont, IL 60439 USA. RP von Lilienfeld, OA (reprint author), Univ Basel, Inst Phys Chem, Klingelbergstr 80, CH-4056 Basel, Switzerland. EM anatole.vonlilienfeld@unibas.ch RI Ramakrishnan, Raghunathan/C-7250-2015; von Lilienfeld, O. Anatole/D-8529-2011; Dral, Pavlo/A-6089-2016; Rupp, Matthias/P-8680-2016 OI Ramakrishnan, Raghunathan/0000-0003-0866-3645; Dral, Pavlo/0000-0002-2975-9876; Rupp, Matthias/0000-0002-2934-2958 FU Swiss National Science Foundation [PP00P2_138932] FX This work was funded by the Swiss National Science Foundation (No. PP00P2_138932). NR 51 TC 23 Z9 23 U1 12 U2 55 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 MAY PY 2015 VL 11 IS 5 BP 2087 EP 2096 DI 10.1021/acs.jctc.5b00099 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CI2LK UT WOS:000354578900012 PM 26574412 ER PT J AU Dral, PO von Lilienfeld, OA Thiel, W AF Dral, Pavlo O. von Lilienfeld, O. Anatole Thiel, Walter TI Machine Learning of Parameters for Accurate Semiempirical Quantum Chemical Calculations SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID DESIGN; DISCOVERY AB We investigate possible improvements in the accuracy of semiempirical quantum chemistry (SQC) methods through the use of machine learning (ML) models for the parameters. For a given class of compounds, ML techniques require sufficiently large training sets to develop ML models that can be used for adapting SQC parameters to reflect changes in molecular composition and geometry. The ML-SQC approach allows the automatic tuning of SQC parameters for individual molecules, thereby improving the accuracy without deteriorating transferability to molecules with molecular descriptors very different from those in the training set. The performance of this approach is demonstrated for the semiempirical OM2 method using a set of 6095 constitutional isomers C7H10O2, for which accurate ab initio atomization enthalpies are available. The ML-OM2 results show improved average accuracy and a much reduced error range compared with those of standard OM2 results, with mean absolute errors in atomization enthalpies dropping from 6.3 to 1.7 kcal/mol. They are also found to be superior to the results from specific OM2 reparameterizations (rOM2) for the same set of isomers. The ML-SQC approach thus holds promise for fast and reasonably accurate high-throughput screening of materials and molecules. C1 [Dral, Pavlo O.; Thiel, Walter] Max Planck Inst Kohlenforsch, D-45470 Mulheim, Germany. [von Lilienfeld, O. Anatole] Univ Basel, Inst Phys Chem, CH-4056 Basel, Switzerland. [von Lilienfeld, O. Anatole] Univ Basel, Natl Ctr Computat Design & Discovery Novel Mat, Dept Chem, CH-4056 Basel, Switzerland. [von Lilienfeld, O. Anatole] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA. RP Dral, PO (reprint author), Max Planck Inst Kohlenforsch, Kaiser Wilhelm Pl 1, D-45470 Mulheim, Germany. EM dral@kofo.mpg.de; thiel@kofo.mpg.de RI von Lilienfeld, O. Anatole/D-8529-2011; Thiel, Walter/A-5677-2016; Dral, Pavlo/A-6089-2016 OI Thiel, Walter/0000-0001-6780-0350; Dral, Pavlo/0000-0002-2975-9876 FU European Research Council (ERC); Swiss National Science foundation [PP00P2_138932] FX W.T. is grateful to the European Research Council (ERC) for financial support through an ERC Advanced Grant. O.A.v.L. acknowledges support from the Swiss National Science foundation (no. PP00P2_138932). NR 32 TC 4 Z9 4 U1 7 U2 22 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 MAY PY 2015 VL 11 IS 5 BP 2120 EP 2125 DI 10.1021/acs.jctc.5b00141 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CI2LK UT WOS:000354578900015 ER PT J AU Raju, M Ganesh, P Kent, PRC van Duin, ACT AF Raju, Muralikrishna Ganesh, P. Kent, Paul R. C. van Duin, Adri C. T. TI Reactive Force Field Study of Li/C Systems for Electrical Energy Storage SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; LITHIUM-ION BATTERIES; INTERCALATION COMPOUNDS; DEFECTIVE GRAPHENE; 1ST PRINCIPLES; GRAPHITE; REAXFF; ELECTRODES; DIFFUSION; CARBONS AB Graphitic carbon is still the most ubiquitously used anode material in Li-ion batteries. In spite of its ubiquity, there are few theoretical studies that fully capture the energetics and kinetics of Li in graphite and related nanostructures at experimentally relevant length, time-scales, and Li-ion concentrations. In this paper, we describe the development and application of a ReaxFF reactive force field to describe Li interactions in perfect and defective carbon-based materials using atomistic simulations. We develop force field parameters for Li-C systems using van der Waals-corrected density functional theory (DFT). Grand canonical Monte Carlo simulations of Li intercalation in perfect graphite with this new force field not only give a voltage profile in good agreement with known experimental and DFT results but also capture the in-plane Li ordering and interlayer separations for stage I and II compounds. In defective graphite, the ratio of Li/C (i.e., the capacitance increases and voltage shifts) both in proportion to the concentration of vacancy defects and metallic lithium is observed to explain the lithium plating seen in recent experiments. We also demonstrate the robustness of the force field by simulating model carbon nanostructures (i.e., both 0D and 1D structures) that can be potentially used as battery electrode materials. Whereas a 0D defective onion-like carbon facilitates fast charging/discharging rates by surface Li adsorption, a 1D defect-free carbon nanorod requires a critical density of Li for intercalation to occur at the edges. Our force field approach opens the opportunity for studying energetics and kinetics of perfect and defective Li/C structures containing thousands of atoms as a function of intercalation. This is a key step toward modeling of realistic carbon materials for energy applications. C1 [Raju, Muralikrishna] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [van Duin, Adri C. T.] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Ganesh, P.; Kent, Paul R. C.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Kent, Paul R. C.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Ganesh, P (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM ganeshp@ornl.gov; acv13@psu.edu RI Ganesh, Panchapakesan/E-3435-2012; Kent, Paul/A-6756-2008 OI Ganesh, Panchapakesan/0000-0002-7170-2902; Kent, Paul/0000-0001-5539-4017 FU Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences; Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX We acknowledge support from the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. M.R. performed the ReaxFF fitting and calculations. A.C.T.vD. and P.R.C.K. supervised the work and contributed to the design of the study. P.G. performed density functional calculations and significantly contributed to the design of the scope and writing of the paper at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 48 TC 6 Z9 6 U1 13 U2 63 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 MAY PY 2015 VL 11 IS 5 BP 2156 EP 2166 DI 10.1021/ct501027v PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CI2LK UT WOS:000354578900019 PM 26574418 ER PT J AU Jo, S Chipot, C Roux, B AF Jo, Sunhwan Chipot, Christophe Roux, Benoit TI Efficient Determination of Relative Entropy Using Combined Temperature and Hamiltonian Replica-Exchange Molecular Dynamics SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID FREE-ENERGY CALCULATIONS; HISTOGRAM ANALYSIS METHOD; ADAPTIVE BIASING FORCE; HYDROPHOBIC INTERACTIONS; COMPUTER-SIMULATION; PLAUSIBLE MODEL; COMPLEX-SYSTEMS; ENTHALPY; WATER; ASSOCIATION AB The performance and accuracy of different simulation schemes for estimating the entropy inferred from free energy calculations are tested. The results obtained from replica-exchange molecular dynamics (REMD) simulations based on a simplified toy model are compared to exact numerically derived ones to assess accuracy and convergence. It is observed that the error in entropy estimation decreases by at least an order of magnitude and the quantities of interest converge much faster when the simulations are coupled via a temperature REMD algorithm and the trajectories from different temperatures are combined. Simulations with the infinite-swapping method and its variants show some improvement over the traditional nearest-neighbor REMD algorithms, but they are more computationally expensive. To test the methodologies further, the free energy profile for the reversible association of two methane molecules in explicit water was calculated and decomposed into its entropic and enthalpic contributions. Finally, a strategy based on umbrella sampling computations carried out via simultaneous temperature and Hamiltonian REMD simulations is shown to yield the most accurate entropy estimation. The entropy profile between the two methane molecules displays the characteristic signature of a hydrophobic interaction. C1 [Jo, Sunhwan] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA. [Chipot, Christophe] CNRS, Lab Int Associe, F-54506 Vandoeuvre Les Nancy, France. [Chipot, Christophe] Univ Lorraine, Univ Illinois Urbana Champaign, UMR 7565, F-54506 Vandoeuvre Les Nancy, France. [Chipot, Christophe] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Chipot, Christophe] Univ Illinois, Beckman Inst Adv Res & Technol, Urbana, IL 61801 USA. [Roux, Benoit] Univ Chicago, Dept Biochem & Mol Biol, Gordon Ctr Integrat Sci, Chicago, IL 60637 USA. [Roux, Benoit] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Roux, B (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 South Cass Ave,Bldg 440, Argonne, IL 60439 USA. EM roux@uchicago.edu FU DOE Office of Science User Facility [DE-AC02-06CH11357]; France and Chicago Collaborating in the Sciences (FACCTS) Center FX This research used resources of the Argonne Leadership Computing Facility, which is a DOE Office of Science User Facility supported under contract DE-AC02-06CH11357. We gratefully acknowledge the computing resources provided on Fusion, a high-performance computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. The Centre Informatique National de l'Enseignement Superieur, Montpellier, is also gratefully acknowledged for the generous provision of computer time. The authors are indebted to the France and Chicago Collaborating in the Sciences (FACCTS) Center for their support. NR 56 TC 2 Z9 2 U1 5 U2 21 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 MAY PY 2015 VL 11 IS 5 BP 2234 EP 2244 DI 10.1021/ct501034w PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CI2LK UT WOS:000354578900025 PM 26574422 ER PT J AU Wehner, M Prabhat Reed, KA Stone, D Collins, WD Bacmeister, J AF Wehner, Michael Prabhat Reed, Kevin A. Stone, Daithi Collins, William D. Bacmeister, Julio TI Resolution Dependence of Future Tropical Cyclone Projections of CAM5.1 in the US CLIVAR Hurricane Working Group Idealized Configurations SO JOURNAL OF CLIMATE LA English DT Article ID COMMUNITY ATMOSPHERE MODEL; LOW-FREQUENCY VARIABILITY; POTENTIAL INTENSITY; CLIMATE SIMULATIONS; INCREASE; GCM; SENSITIVITY; INDEX; AGCM; CO2 AB The four idealized configurations of the U.S. CLIVAR Hurricane Working Group are integrated using the global Community Atmospheric Model version 5.1 at two different horizontal resolutions, approximately 100 and 25km. The publicly released 0.9 degrees x 1.3 degrees configuration is a poor predictor of the sign of the 0.23 degrees x 0.31 degrees model configuration's change in the total number of tropical storms in a warmer climate. However, it does predict the sign of the higher-resolution configuration's change in the number of intense tropical cyclones in a warmer climate. In the 0.23 degrees x 0.31 degrees model configuration, both increased CO2 concentrations and elevated sea surface temperature (SST) independently lower the number of weak tropical storms and shorten their average duration. Conversely, increased SST causes more intense tropical cyclones and lengthens their average duration, resulting in a greater number of intense tropical cyclone days globally. Increased SST also increased maximum tropical storm instantaneous precipitation rates across all storm intensities. It was found that while a measure of maximum potential intensity based on climatological mean quantities adequately predicts the 0.23 degrees x 0.31 degrees model's forced response in its most intense simulated tropical cyclones, a related measure of cyclogenesis potential fails to predict the model's actual cyclogenesis response to warmer SSTs. These analyses lead to two broader conclusions: 1) Projections of future tropical storm activity obtained by a direct tracking of tropical storms simulated by coarse-resolution climate models must be interpreted with caution. 2) Projections of future tropical cyclogenesis obtained from metrics of model behavior that are based solely on changes in long-term climatological fields and tuned to historical records must also be interpreted with caution. C1 [Wehner, Michael; Prabhat; Stone, Daithi; Collins, William D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Reed, Kevin A.; Bacmeister, Julio] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Wehner, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mfwehner@lbl.gov RI Reed, Kevin/C-4466-2012; Collins, William/J-3147-2014; OI Reed, Kevin/0000-0003-3741-7080; Collins, William/0000-0002-4463-9848; Stone, Daithi/0000-0002-2518-100X FU Regional and Global Climate Modeling Program of the Office of Biological and Environmental Research in the U.S. Department of Energy Office of Science [DE-AC02-05CH11231]; U.S. government FX This work was supported by the Regional and Global Climate Modeling Program of the Office of Biological and Environmental Research in the U.S. Department of Energy Office of Science under Contract DE-AC02-05CH11231. Calculations were performed at the National Energy Research Supercomputing Center (NERSC) at the Lawrence Berkeley National Laboratory. We thank the anonymous reviewers for their thorough review comments which we feel substantially improved the study.; This document was prepared as an account of work sponsored by the U.S. government. While this document is believed to contain correct information, neither the U.S. government nor any agency thereof, nor the Regents of the University of California, nor any of their employees, makes any warranty, express or implied, or assumes any legal responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by its trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the U.S. government or any agency thereof, or the Regents of the University of California. The views and opinions of authors expressed herein do not necessarily state or reflect those of the U.S. government or any agency thereof or the Regents of the University of California. NR 48 TC 13 Z9 13 U1 3 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 MAY PY 2015 VL 28 IS 10 BP 3905 EP 3925 DI 10.1175/JCLI-D-14-00311.1 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CH9QE UT WOS:000354370100001 ER PT J AU Gao, YH Leung, LR Zhang, YX Cuo, L AF Gao, Yanhong Leung, L. Ruby Zhang, Yongxin Cuo, Lan TI Changes in Moisture Flux over the Tibetan Plateau during 1979-2011: Insights from a High-Resolution Simulation SO JOURNAL OF CLIMATE LA English DT Article ID WESTERN UNITED-STATES; REGIONAL CLIMATE MODEL; DATA ASSIMILATION SYSTEM; PART I; PRECIPITATION; HYDROCLIMATE; PROJECTIONS; MECHANISMS; HYDROLOGY; IMPACTS AB Net precipitation [precipitation minus evapotranspiration (P - E)] changes between 1979 and 2011 from a high-resolution regional climate simulation and its reanalysis forcing are analyzed over the Tibetan Plateau (TP) and compared to the Global Land Data Assimilation System (GLDAS) product. The high-resolution simulation better resolves precipitation changes than its coarse-resolution forcing, which contributes dominantly to the improved P - E change in the regional simulation compared to the global reanalysis. Hence, the former may provide better insights about the drivers of P - E changes. The mechanism behind the P - E changes is explored by decomposing the column integrated moisture flux convergence into thermodynamic, dynamic, and transient eddy components. High-resolution climate simulation improves the spatial pattern of P - E changes over the best available global reanalysis. High-resolution climate simulation also facilitates new and substantial findings regarding the role of thermodynamics and transient eddies in P - E changes reflected in observed changes in major river basins fed by runoff from the TP. The analysis reveals the contrasting convergence/divergence changes between the northwestern and southeastern TP and feedback through latent heat release as an important mechanism leading to the mean P - E changes in the TP. C1 [Gao, Yanhong] Chinese Acad Sci, Cold & Arid Reg Environm & Engn Res Inst, Key Lab Land Surface Proc & Climate Change Cold &, Lanzhou 730000, Peoples R China. [Leung, L. Ruby] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Zhang, Yongxin] Natl Ctr Atmospher Res, Res Applicat Lab, Boulder, CO 80307 USA. [Cuo, Lan] Chinese Acad Sci, Key Lab Tibetan Environm Changes & Land Surface P, Inst Tibetan Plateau Res, Beijing, Peoples R China. RP Gao, YH (reprint author), Chinese Acad Sci, Cold & Arid Reg Environm & Engn Res Inst, 320 Donggang West Rd, Lanzhou 730000, Peoples R China. EM gaoyh@lzb.ac.cn FU National Basic Research Program of China [2013CB956004]; National Natural Science Foundation of China [41322033]; "100-Talent" program - Chinese Academy of Sciences; Office of Science of the U.S. Department of Energy through the Regional and Global Climate Modeling program; Department of Energy by Battelle Memorial Institute [DE-AC05-76RL01830] FX The reanalysis data used in this study are from the Research Data Archive (RDA), which is maintained by the Computational and Information Systems Laboratory (CISL) at the National Center for Atmospheric Research (NCAR). We acknowledge the Super Computing Center of Chinese Academy of Sciences for providing resources for conducting the simulations. This work is jointly supported by National Basic Research Program of China (2013CB956004), National Natural Science Foundation of China (41322033), and "100-Talent" program granted by the Chinese Academy of Sciences to Yanhong Gao and Lan Cuo. Ruby Leung is supported by the Office of Science of the U.S. Department of Energy through the Regional and Global Climate Modeling program. Pacific Northwest National Laboratory is operated for Department of Energy by Battelle Memorial Institute under Contract DE-AC05-76RL01830. NR 52 TC 4 Z9 5 U1 4 U2 29 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 MAY PY 2015 VL 28 IS 10 BP 4185 EP 4197 DI 10.1175/JCLI-D-14-00581.1 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CH9QE UT WOS:000354370100017 ER PT J AU Webb-Robertson, BJM Wiberg, HK Matzke, MM Brown, JN Wang, J McDermott, JE Smith, RD Rodland, KD Metz, TO Pounds, JG Waters, KM AF Webb-Robertson, Bobbie-Jo M. Wiberg, Holli K. Matzke, Melissa M. Brown, Joseph N. Wang, Jing McDermott, Jason E. Smith, Richard D. Rodland, Karin D. Metz, Thomas O. Pounds, Joel G. Waters, Katrina M. TI Review, Evaluation, and Discussion of the Challenges of Missing Value Imputation for Mass Spectrometry-Based Label-Free Global Proteomics SO JOURNAL OF PROTEOME RESEARCH LA English DT Review DE Imputation; label free; peak intensity; accuracy; mean-square error; classification ID PRINCIPAL COMPONENT ANALYSIS; MS-BASED PROTEOMICS; PROTEIN QUANTIFICATION; QUANTITATIVE-ANALYSIS; EXPRESSION PROFILES; MICROARRAY DATA; OMICS DATA; NORMALIZATION; TECHNOLOGIES; INTENSITIES AB In this review, we apply selected imputation strategies to label-free liquid chromatography-mass spectrometry (LC-MS) proteomics datasets to evaluate the accuracy With respect to metrics of Variance and classification. We evaluate several commonly used imputation approaches for individual merits and discuss the caveats of each approach with respect to the example LC-MS proteomics data. In general, local similarity-based approaches, such as the regularized expectation maximization and least-squares adaptive algorithms, yield the best overall performances with respect to metrics of accuracy and robustness. However, no single algorithm consistently Outperforms the remaining approaches, and in some cases, performing classification without imputation sometimes yielded the most accurate classification. Thus, because of the complex mechanisms of missing data in proteomics, which also vary from peptide to protein, no individual method is a single solution for imputation. On the basis of the observations in this review, the goal for imputation in the field of computational proteomics should be to develop new approaches that work generically for this data type and new strategies to guide users in the selection of the best imputation for their dataset and analysis objectives. C1 [Webb-Robertson, Bobbie-Jo M.; Wiberg, Holli K.; Matzke, Melissa M.; Brown, Joseph N.; Wang, Jing; McDermott, Jason E.; Smith, Richard D.; Rodland, Karin D.; Metz, Thomas O.; Pounds, Joel G.; Waters, Katrina M.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Webb-Robertson, BJM (reprint author), Pacific NW Natl Lab, POB 999,K7-20, Richland, WA 99352 USA. EM bj@pnnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU National Institute of Allergy and Infectious Diseas,e [HHSN27220080060C, U01CA184783-01]; National Institutes of Health [DK071283]; National Institutes of Environmental Health Sciences [U54-ES016015]; U.S. Department of Energy [DE-AC06-76RL01830] FX Computational work was supported by the National Institute of Allergy and Infectious Diseas,e contract nos. HHSN27220080060C (K.M.W) and U01CA184783-01 (B.-.M.W.-R.). The Dilution Series dataset was generated through Laboratory Directed Research and Development at Pacific Northwest National Laboratory (PNNL) under the Signature Discovery Initiative (J.E.M., K.D.R). The human diabetes proteomics data was generated under National Institutes of Health grant no. DK071283 (R.D.S., T.O.M), and the mouse lung LPS proteomics data was generated through National Institutes of Environmental Health Sciences grant no. U54-ES016015 (J.G.P.). Proteomics datasets originated from samples analyzed using capabilities developed under the support of the National Center for Research Resources (P41-RR018522) and the National Institute of General Medical Sciences (P41-GM103493) from the National Institutes of Health and from the U.S. Department of Energy Office of Biological and Environmental Research (R.D.S). Proteomics data were collected and processed in the Environmental Molecular Sciences Laboratory (EMSL). EMSL is a national scientific user facility supported by the U.S. Department of Energy. All work was performed at PNNL, which is a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy under contract no. DE-AC06-76RL01830. NR 48 TC 17 Z9 17 U1 8 U2 34 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD MAY PY 2015 VL 14 IS 5 BP 1993 EP 2001 DI 10.1021/pr501138h PG 9 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA CH4LJ UT WOS:000354004700001 PM 25855118 ER PT J AU Allen, MS Hurst, GB Lu, TYS Perry, LM Pan, CL Lankford, PK Pelletier, DA AF Allen, Michael S. Hurst, Gregory B. Lu, Tse-Yuan S. Perry, Leslie M. Pan, Chongle Lankford, Patricia K. Pelletier, Dale A. TI Rhodopseudomonas palustris CGA010 Proteome Implicates Extracytoplasmic Function Sigma Factor in Stress Response SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE ECF sigma factor; stress; gene regulation; Rhodopseudomonas palustris; proteomics ID DPS-LIKE PROTEIN; CAULOBACTER-CRESCENTUS; ESCHERICHIA-COLI; SHOTGUN PROTEOMICS; 2-COMPONENT SYSTEM; CATALASE HPII; REGULATOR; SEQUENCE; IDENTIFICATION; METABOLISM AB Rhodopseudomonas palustris encodes 16 extracytoplasmic function (ECF) a factors. To begin to investigate the regulatory network of one Of these ECF sigma factors, the whole proteome of R palustris CGA010 was quantitatively analyzed by tandem mass spectrometry from cultures episomally expressing the ECF, sigma(RPA4225) (ecfT) versus a WT control. Among the proteins with the greatest increase in abundance were catalase KatE, trehalose synthase,,a DPS-like protein, and several regulatory proteins. Alignment of the cognate promoter regions driving expression of several upregulated proteins suggested a conserved binding motif in the -35 and -10 regions with the consensus sequence GGAAC-18N-TT.,Additionally, the putative anti-sigma factor RPA4224, whose gene is contained in the same predicted operon as RPA4225, was identified as interacting directly with the predicted response regulator RPA4223 by mass spectrometry of affinity-isolated protein tomplexes. Furthermore, another gene (RPA4226) coding for a protein that contains, a cytoplasmic histidine kinase domain is located immediately upstream of RPA4225. The genomic organization of orthologs for these four genes is conserved in several other strains of R. palustris as well as in closely related alpha-Proteobacteria. Taken together, these data suggest that ECF sigma(RPA4225) and the three additional genes Make up a sigma factor mimicry system in R. palustris. C1 [Allen, Michael S.; Lu, Tse-Yuan S.; Lankford, Patricia K.; Pelletier, Dale A.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Hurst, Gregory B.; Pan, Chongle] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Allen, Michael S.; Perry, Leslie M.] Univ N Texas, Dept Biol Sci, Denton, TX 76203 USA. [Allen, Michael S.] Univ N Texas, Hlth Sci Ctr, Ctr Biosafety & Biosecur, Dept Mol & Med Genet, Ft Worth, TX 76107 USA. RP Pelletier, DA (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. EM pelletierda@ornl.gov OI Hurst, Gregory/0000-0002-7650-8009 FU DOE Genomic Science Program - Office of Biological and Environmental Research, United States Department of Energy Office of Science; U.S. Department of Energy [DE-AC0S-00OR22725] FX We thank Becky Maggard, ORNL, for assistance with manuscript preparation and Manesh Shah, ORNL, for assistance with proteome informatics. This research was supported by the DOE Genomic Science Program, sponsored by the Office of Biological and Environmental Research, United States Department of Energy Office of Science. Oak Ridge National Laboratory is managed and operated by UT-Battelle, LLC, under contract no. DE-AC0S-00OR22725, for the U.S. Department of Energy. NR 44 TC 0 Z9 0 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD MAY PY 2015 VL 14 IS 5 BP 2158 EP 2168 DI 10.1021/pr5012558 PG 11 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA CH4LJ UT WOS:000354004700016 PM 25853567 ER PT J AU Schmalzer, AM Giacomin, AJ AF Schmalzer, A. M. Giacomin, A. J. TI Orientation in Large-Amplitude Oscillatory Shear SO MACROMOLECULAR THEORY AND SIMULATIONS LA English DT Article ID COMPLEX VISCOSITY; FLUID INERTIA; FLOW AB We examine the simplest relevant molecular model for large-amplitude oscillatory shear flow of a polymeric liquid: The dilute suspension of rigid dumbbells in a Newtonian solvent. We find explicit analytical expressions for the orientation distribution, and specifically for test conditions of frequency and shear rate amplitude that generate higher harmonics in the shear stress and normal stress difference responses. We solve the diffusion equation analytically to explore molecular orientation induced by oscillatory shear flow. We see that the orientation distribution is neither even nor odd. We find zeroth, first, second, third, and fourth harmonics of the orientation distribution, and we have derived explicit analytical expressions for these. We provide a clear visualization of the orientation distribution in large-amplitude oscillatory shear flow in spherical coordinates all the way around one full alternant cycle. The Newtonian distribution is nearly isotropic, the linearly viscoelastic, only slightly anisotropic, and the nonlinear viscoelastic, highly anisotropic. C1 [Schmalzer, A. M.] Los Alamos Natl Lab, Chem Diagnost & Engn, Los Alamos, NM 87544 USA. [Giacomin, A. J.] Queens Univ, Dept Chem Engn, Kingston, ON K7L 3N6, Canada. [Giacomin, A. J.] Queens Univ, Polymers Res Grp, Kingston, ON K7L 3N6, Canada. RP Giacomin, AJ (reprint author), Queens Univ, Dept Chem Engn, Kingston, ON K7L 3N6, Canada. EM giacomin@queensu.ca FU Research Initiation Grant (RIG); Ontario/Baden-Wurttemberg Exchange Program for the Faculty Research Exchange; Canada Research Chairs program of the Government of Canada of the Tier 1 Canada Research Chair in Rheology FX In connection with the rigid dumbbell kinetic theory, the authors acknowledge invaluable assistance from Professor Emeritus R. Byron Bird of the Chemical and Biological Engineering Department at the University of Wisconsin in Madison. A. J. Giacomin is indebted to the Faculty of Applied Science and Engineering of Queen's University at Kingston, for their support through a Research Initiation Grant (RIG). AJG acknowledges the Ontario/Baden-Wurttemberg Exchange Program for the Faculty Research Exchange 2014-2015 award. AJG is also indebted to Professor Manfred Wilhelm of the Institut fuer Technische und Polymerchemie of the Karlsruhe Institute of Technology in Germany for hosting his Visiting Professorship during the summer of 2014. This research was undertaken, in part, thanks to funding from the Canada Research Chairs program of the Government of Canada of the Tier 1 Canada Research Chair in Rheology. NR 33 TC 3 Z9 3 U1 1 U2 4 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1022-1344 EI 1521-3919 J9 MACROMOL THEOR SIMUL JI Macromol. Theory Simul. PD MAY PY 2015 VL 24 IS 3 BP 181 EP 207 DI 10.1002/mats.201400058 PG 27 WC Polymer Science SC Polymer Science GA CI6RV UT WOS:000354889600002 ER PT J AU Jiang, J Jiang, DQ Hao, SJ Yu, C Zhang, JS Ren, Y Lu, DP Xie, SF Cui, LS AF Jiang, Jiang Jiang, Daqiang Hao, Shijie Yu, Cun Zhang, Junsong Ren, Yang Lu, Deping Xie, Shifang Cui, Lishan TI A nano lamella NbTi-NiTi composite with high strength SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Nano lamellae composite; Martensitic transformation; Shape memory alloy (SMA); NiTi; In situ synchrotron X-ray diffraction ID IN-SITU COMPOSITE; ELASTIC STRAIN; DEFORMATION-BEHAVIOR; PLASTICITY; NANOCOMPOSITES; TRANSFORMATION; DIFFRACTION; NANOWIRES; NANOTUBES; MODULUS AB A hypereutectic Nb60Ti24Ni16 (at%) alloy was prepared by vacuum induction melting, and a nano lamellae NbTi-NiTi composite was obtained by hot-forging and wire-drawing of the ingot Microscopic analysis showed that NbTi and NiTi nano lamellae distributed alternatively in the composite, and aligned along the wire axial direction, with a high volume fraction (similar to 70%) of NbTi nano lamellae. In situ synchrotron X-ray diffraction analysis revealed that stress induced martensitic transformation occurred upon loading, which would effectively weaken the stress concentration at the interface and avoid the introduction of defects into the nano reinforced phase. Then the embedded NbTi nano lamellae exhibited a high elastic strain up to 2.72%, 1.5 times as high as that of the Nb nanowires embedded in a conventional plastic matrix, and the corresponding stress carried by NbTi was evaluated as 2.53 GPa. The high volume fraction of NbTi nano lamellae improved the translation of high strength from the nano reinforced phase into bulk properties of the composite, with a platform stress of similar to 1.7 GPa and a fracture strength of similar to 1.9 GPa. (C) 2015 Elsevier B.V. All rights reserved. C1 [Jiang, Jiang; Lu, Deping; Xie, Shifang] Jiangxi Acad Sci, Jiangxi Key Lab Adv Copper & Tungsten Mat, Nanchang 330029, Peoples R China. [Jiang, Jiang; Lu, Deping; Xie, Shifang] Jiangxi Acad Sci, Inst Appl Phys, Nanchang 330029, Peoples R China. [Jiang, Jiang; Jiang, Daqiang; Hao, Shijie; Yu, Cun; Zhang, Junsong; Cui, Lishan] China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China. [Jiang, Jiang; Jiang, Daqiang; Hao, Shijie; Yu, Cun; Zhang, Junsong; Cui, Lishan] China Univ Petr, Dept Mat Sci & Engn, Beijing 102249, Peoples R China. [Jiang, Daqiang] Univ Western Australia, Sch Mech & Chem Engn, Nedlands, WA 6009, Australia. [Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Cui, LS (reprint author), China Univ Petr, Dept Mat Sci & Engn, Beijing 102249, Peoples R China. EM lishancui63@126.com RI Jiang, Daqiang /G-5511-2014 FU National Natural Science Foundation of China, China (NSFC) [51231008, 51401096]; Chinese Ministry of Education [313055]; Ph.D. Programs Foundation of Jiangxi Academy of Sciences [2013-YYB-5]; Special Funds for Collaborative Innovation of Jiangxi Academy of Sciences [2013-XTPH1-33]; US Department of Energy, Office of Science; US Department of Energy, Office of Basic Energy Science [DE-AC02-06CH11357] FX This work is supported by the key program project of National Natural Science Foundation of China, China (NSFC) (51231008, and 51401096), the Key Project of Chinese Ministry of Education (313055), the Ph.D. Programs Foundation of Jiangxi Academy of Sciences (no. 2013-YYB-5), and the Special Funds for Collaborative Innovation of Jiangxi Academy of Sciences (no. 2013-XTPH1-33). The use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, and Office of Basic Energy Science under Contract no. DE-AC02-06CH11357. NR 28 TC 1 Z9 1 U1 1 U2 22 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 EI 1873-4936 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD MAY 1 PY 2015 VL 633 BP 121 EP 124 DI 10.1016/j.msea.2015.03.010 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA CH2HB UT WOS:000353845200016 ER PT J AU Smith, SJ Clarke, LE Edmonds, JA Kejun, J Kriegler, E Masui, T Riahi, K Shukla, PR Tavoni, M van Vuuren, DP Weyant, JP AF Smith, Steven J. Clarke, Leon E. Edmonds, James A. Kejun, Jiang Kriegler, Elmar Masui, Toshihiko Riahi, Keywan Shukla, Priyadarshi R. Tavoni, Massimo van Vuuren, Detlef P. Weyant, John P. TI Long history of IAM comparisons SO NATURE CLIMATE CHANGE LA English DT Letter ID COSTS C1 [Smith, Steven J.; Clarke, Leon E.; Edmonds, James A.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Kejun, Jiang] Energy Res Inst, Beijing 100038, Peoples R China. [Kriegler, Elmar] Potsdam Inst Climate Impact Res, D-14412 Potsdam, Germany. [Masui, Toshihiko] Natl Inst Environm Studies, Tsukuba, Ibaraki 3058506, Japan. [Riahi, Keywan] Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria. [Shukla, Priyadarshi R.] Indian Inst Management, Ahmadabad 380015, Gujarat, India. [Tavoni, Massimo] Fdn Eni Enrico Mattei, I-20123 Milan, Italy. [van Vuuren, Detlef P.] PBL Netherlands Environm Assessment Agcy, NL-3720 AH Bilthoven, Netherlands. [van Vuuren, Detlef P.] Univ Utrecht, Fac Geosci, NL-3584 CS Utrecht, Netherlands. [Weyant, John P.] Stanford Univ, Dept Management Sci & Engn, Stanford, CA 94305 USA. RP Smith, SJ (reprint author), Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. EM ssmith@pnl.gov RI van Vuuren, Detlef/A-4764-2009; Kriegler, Elmar/I-3048-2016; Riahi, Keywan/B-6426-2011 OI van Vuuren, Detlef/0000-0003-0398-2831; Kriegler, Elmar/0000-0002-3307-2647; Riahi, Keywan/0000-0001-7193-3498 NR 11 TC 2 Z9 2 U1 3 U2 11 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 MAY PY 2015 VL 5 IS 5 BP 391 EP 391 PG 1 WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CI6SO UT WOS:000354891900004 ER PT J AU Iyer, GC Clarke, LE Edmonds, JA Flannery, BP Hultman, NE McJeon, HC Victor, DG AF Iyer, Gokul C. Clarke, Leon E. Edmonds, James A. Flannery, Brian P. Hultman, Nathan E. McJeon, Haewon C. Victor, David G. TI Improved representation of investment decisions in assessments of CO2 mitigation SO NATURE CLIMATE CHANGE LA English DT Article ID LOW-CARBON; TECHNOLOGIES; MARKET; TERM AB Assessments of emissions mitigation patterns have largely ignored the huge variation in real-world factors-in particular, institutions-that affect where, how and at what costs firms deploy capital(1-5). We investigate one such factor-how national institutions affect investment risks and thus the cost of financing(6-8). We use an integrated assessment model (IAM; ref. 9) to represent the variation in investment risks across technologies and regions in the electricity generation sector-a pivotally important sector in most assessments of climate change mitigation(10)-and compute the impact on the magnitude and distribution of mitigation costs. This modified representation of investment risks has two major effects. First, achieving an emissions mitigation goal is more expensive than it would be in a world with uniform investment risks. Second, industrialized countries mitigate more, and developing countries mitigate less. Here, we introduce a new front in the research on how real-world factors influence climate mitigation. We also suggest that institutional reforms aimed at lowering investment risks could be an important element of cost-effective climate mitigation strategies. C1 [Iyer, Gokul C.; Hultman, Nathan E.] Univ Maryland, Sch Publ Policy, College Pk, MD 20742 USA. [Iyer, Gokul C.; Clarke, Leon E.; Edmonds, James A.; McJeon, Haewon C.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. [Flannery, Brian P.] Resources Future Inc, Washington, DC 20036 USA. [Victor, David G.] Univ Calif San Diego, Sch Int Relat & Pacific Studies, La Jolla, CA 92093 USA. RP Iyer, GC (reprint author), Univ Maryland, Sch Publ Policy, 2101 Van Munching Hall, College Pk, MD 20742 USA. EM Gokul.Iyer@pnnl.gov OI Flannery, Brian/0000-0002-3318-8068 FU Global Technology Strategy Program; National Science Foundation [1056998]; Electric Power Research Institute; BP Plc; Norwegian Research Foundation; DOE [DE-AC05-76RL01830] FX Research support for G.C.I., L.E.C., J.A.E. and H.C.M. was provided by the Global Technology Strategy Program. N.E.H. was supported by the National Science Foundation under grant number 1056998. D.G.V. was supported by the Electric Power Research Institute, BP Plc and the Norwegian Research Foundation. This research used Evergreen computing resources at the Pacific Northwest National Laboratory's (PNNL) Joint Global Change Research Institute at the University of Maryland in College Park. PNNL is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. The views and opinions expressed in this article are those of the authors and do not necessarily reflect the official policy or position of any agency of the United States. NR 26 TC 9 Z9 9 U1 1 U2 11 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 MAY PY 2015 VL 5 IS 5 BP 436 EP 440 DI 10.1038/NCLIMATE2553 PG 5 WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CI6SO UT WOS:000354891900019 ER PT J AU Lin, YS Medlyn, BE Duursma, RA Prentice, IC Wang, H Baig, S Eamus, D de Dios, VR Mitchell, P Ellsworth, DS Op de Beeck, M Wallin, G Uddling, J Tarvainen, L Linderson, ML Cernusak, LA Nippert, JB Ocheltree, T Tissue, DT Martin-St Paul, NK Rogers, A Warren, JM De Angelis, P Hikosaka, K Han, QM Onoda, Y Gimeno, TE Barton, CVM Bennie, J Bonal, D Bosc, A Low, M Macinins-Ng, C Rey, A Rowland, L Setterfield, SA Tausz-Posch, S Zaragoza-Castells, J Broadmeadow, MSJ Drake, JE Freeman, M Ghannoum, O Hutley, LB Kelly, JW Kikuzawa, K Kolari, P Koyama, K Limousin, JM Meir, P da Costa, ACL Mikkelsen, TN Salinas, N Sun, W Wingate, L AF Lin, Yan-Shih Medlyn, Belinda E. Duursma, Remko A. Prentice, I. Colin Wang, Han Baig, Sofia Eamus, Derek Resco de Dios, Victor Mitchell, Patrick Ellsworth, David S. Op de Beeck, Maarten Wallin, Goran Uddling, Johan Tarvainen, Lasse Linderson, Maj-Lena Cernusak, Lucas A. Nippert, Jesse B. Ocheltree, Troyw. Tissue, David T. Martin-St Paul, Nicolas K. Rogers, Alistair Warren, Je M. De Angelis, Paolo Hikosaka, Kouki Han, Qingmin Onoda, Yusuke Gimeno, Teresa E. Barton, Craig V. M. Bennie, Jonathan Bonal, Damien Bosc, Alexandre Loew, Markus Macinins-Ng, Cate Rey, Ana Rowland, Lucy Setterfield, Samantha A. Tausz-Posch, Sabine Zaragoza-Castells, Joana Broadmeadow, Mark S. J. Drake, John E. Freeman, Michael Ghannoum, Oula Hutley, Lindsay B. Kelly, Jeff W. Kikuzawa, Kihachiro Kolari, Pasi Koyama, Kohei Limousin, Jean-Marc Meir, Patrick Lola da Costa, Antonio C. Mikkelsen, Teis N. Salinas, Norma Sun, Wei Wingate, Lisa TI Optimal stomatal behaviour around the world SO NATURE CLIMATE CHANGE LA English DT Article ID HYDRAULIC ARCHITECTURE; CLIMATE-CHANGE; PLANT; MODEL; TREES; PHOTOSYNTHESIS; ASSIMILATION; CONVERGENCE; CONDUCTANCE; ECOLOGY AB Stomatal conductance (g(s)) is a key land-surface attribute as it links transpiration, the dominant component of global land evapotranspiration, and photosynthesis, the driving force of the global carbon cycle. Despite the pivotal role of g(s) in predictions of global water and carbon cycle changes, a global-scale database and an associated globally applicable model of g(s) that allow predictions of stomatal behaviour are lacking. Here, we present a database of globally distributed g(s) obtained in the field for a wide range of plant functional types (PFTs) and biomes. We find that stomatal behaviour differs among PFTs according to their marginal carbon cost of water use, as predicted by the theory underpinning the optimal stomatal model(1) and the leaf and wood economics spectrum(2,3). We also demonstrate a global relationship with climate. These findin g(s) provide a robust theoretical framework for understanding and predicting the behaviour of g(s) across biomes and across PFTs that can be applied to regional, continental and global-scale modelling of ecosystem productivity, energy balance and ecohydrological processes in a future changing climate. C1 [Lin, Yan-Shih; Medlyn, Belinda E.; Prentice, I. Colin; Wang, Han; Baig, Sofia; Kelly, Jeff W.] Macquarie Univ, Dept Biol Sci, N Ryde, NSW 2109, Australia. [Duursma, Remko A.; Ellsworth, David S.; Tissue, David T.; Gimeno, Teresa E.; Barton, Craig V. M.; Drake, John E.; Ghannoum, Oula] Univ Western Sydney, Hawkesbury Inst Environm, Penrith, NSW 2751, Australia. [Prentice, I. Colin] Univ London Imperial Coll Sci Technol & Med, Dept Life Sci, AXA Chair Biosphere & Climate Impacts Grand Chall, Ascot SL5 7PY, Berks, England. [Prentice, I. Colin] Univ London Imperial Coll Sci Technol & Med, Dept Life Sci, Grantham Inst Climate Change & Environm, Ascot SL5 7PY, Berks, England. [Eamus, Derek] Univ Technol Sydney, Sch Environm, Sydney, NSW 2007, Australia. [Resco de Dios, Victor] Univ Lleida, AGROTECNIO Ctr, Dept Crop & Forest Sci, Ramon y Cajal Programme, E-25198 Lleida, Spain. [Mitchell, Patrick] CSIRO Ecosyst Sci, Sandy Bay, Tas 7005, Australia. [Op de Beeck, Maarten] Univ Antwerp, Res Grp Plant & Vegetat Ecol, B-2610 Antwerp, Belgium. [Wallin, Goran; Uddling, Johan] Univ Gothenburg, Dept Biol & Environm Sci, S-40530 Gothenburg, Sweden. [Tarvainen, Lasse] Swedish Univ Agr Sci, Dept Forest Ecol & Management, S-90183 Umea, Sweden. [Linderson, Maj-Lena] Lund Univ, Dept Phys Geog & Ecosyst Sci, S-22362 Lund, Sweden. [Cernusak, Lucas A.] James Cook Univ, Cairns, Qld 4879, Australia. [Nippert, Jesse B.] Kansas State Univ, Div Biol, Manhattan, KS 66505 USA. [Ocheltree, Troyw.] Colorado State Univ, Dept Forest & Rangeland Stewardship, Ft Collins, CO 80523 USA. [Martin-St Paul, Nicolas K.] Univ Paris 11, Lab Ecol Systemat & Evolut, UMR8079, F-91405 Orsay, France. [Rogers, Alistair] Brookhaven Natl Lab, Environm & Climate Sci Dept, Upton, NY 11973 USA. [Warren, Je M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [De Angelis, Paolo] Univ Tuscia, Dept Innovat Biol Agrofood & Forest Syst, I-01100 Viterbo, Italy. [Hikosaka, Kouki] Tohoku Univ, Grad Sch Life Sci, Aoba Ku, Sendai, Miyagi 9808578, Japan. [Han, Qingmin] FFPRI, Hokkaido Res Ctr, Sapporo, Hokkaido 0628516, Japan. [Onoda, Yusuke] Kyoto Univ, Grad Sch Agr, Div Environm Sci & Technol, Kyoto 6068502, Japan. [Bennie, Jonathan] Univ Exeter, Environm & Sustainabil Inst, Penryn TR10 9FE, England. [Bonal, Damien] INRA, F-54280 Nancy, Champenoux, France. [Bosc, Alexandre; Wingate, Lisa] INRA, F-33140 Villenave Dornon, France. [Bosc, Alexandre] Bordeaux Sci Agro, UMR ISPA 1391, F-33170 Gradignan, France. [Loew, Markus; Tausz-Posch, Sabine] Univ Melbourne, Fac Vet & Agr Sci, Creswick, Vic 3363, Australia. [Macinins-Ng, Cate] Univ Auckland, Sch Environm, Auckland 1142, New Zealand. [Rey, Ana] MNCN CSIC, Spanish Sci Council, Dept Biogeog & Global Change, Madrid 28006, Spain. [Rowland, Lucy; Zaragoza-Castells, Joana; Meir, Patrick] Univ Edinburgh, Sch Geosci, Edinburgh EH8 9XP, Midlothian, Scotland. [Setterfield, Samantha A.; Hutley, Lindsay B.] Charles Darwin Univ, Res Inst Environm & Livelihoods, Casuarina, NT 0909, Australia. [Broadmeadow, Mark S. J.] Forestry Commiss England, Climate Change Forest Serv, Bristol BD16 1EJ, Avon, England. [Freeman, Michael] Swedish Univ Agr Sci, Dept Ecol, S-75007 Uppsala, Sweden. [Kikuzawa, Kihachiro; Koyama, Kohei] Ishikawa Prefectural Univ, Fac Bioresources & Environm Sci, Dept Environm Sci, Nonoichi, Ishikawa 9218836, Japan. [Kolari, Pasi] Univ Helsinki, Dept Phys, FI-00014 Helsinki, Finland. [Koyama, Kohei] Obihiro Univ Agr & Vet Med, Dept Life Sci & Agr, Obihiro, Hokkaido 0800834, Japan. Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. [Lola da Costa, Antonio C.] Fed Univ Para, BR-66075110 Belem, Para, Brazil. [Mikkelsen, Teis N.] Tech Univ Denmark, Dept Chem & Biochem Engn, Ctr Ecosyst & Environm Sustainabil, DK-4000 Roskilde, Denmark. [Salinas, Norma] PUCP, Secc Quim, Lima 15088, Peru. [Salinas, Norma] Univ Oxford, Sch Geog, Oxford OX1 3QY, England. [Sun, Wei] NE Normal Univ, Key Lab Vegetat Ecol, Inst Grassland Sci, Changchun 130024, Jilin, Peoples R China. RP Lin, YS (reprint author), Macquarie Univ, Dept Biol Sci, N Ryde, NSW 2109, Australia. EM yanshihL@gmail.com RI Meir, Patrick/J-8344-2012; Rey, Ana/F-5791-2016; Gimeno, Teresa/C-8770-2011; Resco de Dios, Victor/G-5555-2014; Tissue, David/H-6596-2015; Rogers, Alistair/E-1177-2011; Wingate, Lisa/G-5575-2015; Hikosaka, Kouki/A-5415-2013; Koyama, Kohei/J-4153-2015; Salinas, Norma/K-8960-2015; Onoda, Yusuke/L-7179-2015; James Cook University, TESS/B-8171-2012; Bosc, Alexandre/A-3375-2016; Mitchell, Patrick/D-7454-2011; Cernusak, Lucas/A-6859-2011; Hutley, Lindsay/A-7925-2011; Warren, Jeffrey/B-9375-2012; Drake, John/N-8490-2014 OI Lin, Yan-Shih/0000-0003-3177-5186; Bennie, Jonathan/0000-0003-4394-2041; Ghannoum, Oula/0000-0002-1341-0741; De Angelis, Paolo/0000-0001-8310-8831; Low, Markus/0000-0002-8514-4710; Kolari, Pasi/0000-0001-7271-633X; Mikkelsen, Teis Norgaard/0000-0001-7470-6522; Duursma, Remko/0000-0002-8499-5580; Rey, Ana/0000-0003-0394-101X; Gimeno, Teresa/0000-0002-1707-9291; Resco de Dios, Victor/0000-0002-5721-1656; Medlyn, Belinda/0000-0001-5728-9827; Tissue, David/0000-0002-8497-2047; Rogers, Alistair/0000-0001-9262-7430; Wingate, Lisa/0000-0003-1921-1556; Hikosaka, Kouki/0000-0003-1744-3775; Koyama, Kohei/0000-0001-6707-3130; Salinas, Norma/0000-0001-9941-2109; Onoda, Yusuke/0000-0001-6245-2342; Bosc, Alexandre/0000-0002-7467-2577; Cernusak, Lucas/0000-0002-7575-5526; Hutley, Lindsay/0000-0001-5533-9886; Warren, Jeffrey/0000-0002-0680-4697; Drake, John/0000-0003-4274-4780 FU Australian Research Council (ARC MIA Discovery Project) [1433500-2012-14]; Next-Generation Ecosystem Experiments (NGEE-Arctic) project by the Office of Biological and Environmental Research in the Department of Energy, Office of Science; United States Department of Energy [DE-AC02-98CH10886]; Belgian Science Policy (OFFQ) [SD/AF/02] FX This research was supported by the Australian Research Council (ARC MIA Discovery Project 1433500-2012-14). A.R. was financially supported in part by The Next-Generation Ecosystem Experiments (NGEE-Arctic) project, which is supported by the Office of Biological and Environmental Research in the Department of Energy, Office of Science, and through the United States Department of Energy contract No. DE-AC02-98CH10886 to Brookhaven National Laboratory. M.O.d.B. acknowledges that the Brassica data were obtained within a research project financed by the Belgian Science Policy (OFFQ, contract number SD/AF/02) and coordinated by K. Vandermeiren at the Open-Top Chamber research facilities of CODA-CERVA (Tervuren, Belgium). NR 32 TC 38 Z9 39 U1 24 U2 139 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 MAY PY 2015 VL 5 IS 5 BP 459 EP 464 DI 10.1038/NCLIMATE2550 PG 6 WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA CI6SO UT WOS:000354891900025 ER PT J AU Ma, YY Zhang, DC Yan, ZY Wang, MF Bian, CL Gao, XL Bunel, EE Lei, AW AF Ma, Yiyang Zhang, Dongchao Yan, Zhiyuan Wang, Mengfan Bian, Changliang Gao, Xinlong Bunel, Emilio E. Lei, Aiwen TI Iron-Catalyzed Oxidative C-H/C-H Cross-Coupling between Electron-Rich Arenes and Alkenes SO ORGANIC LETTERS LA English DT Article ID BOND ACTIVATION; DIRECT ARYLATION; CARBON-CARBON; UNACTIVATED ALKENES; METAL-FREE; FUNCTIONALIZATION; PALLADIUM; COPPER; CLEAVAGE; ALKYNES AB A novel oxidative C-H/C-H cross-coupling reaction between electron-rich arenes and alkenes is established utilizing FeCl3 as the catalyst and DDQ as the oxidant. Interestingly, direct arylation products are obtained with diaryl-ethylenes and double arylation products are obtained with styrene derivatives, which show high chemoselectivity and good substrate scope. A radical trapping experiment and EPR (electron paramagnetic resonance) experiments indicate that this reaction proceeds through a radical pathway in which DDQ plays a key role in the aryl radical formation. XAFS (X-ray absorption fine structure) experiments reveal that the oxidation state of the iron catalyst does not change during the reaction, suggesting that FeCl3 might be used as a Lewis acid. Finally, a detailed mechanism is proposed for this transformation. C1 [Ma, Yiyang; Zhang, Dongchao; Yan, Zhiyuan; Wang, Mengfan; Bian, Changliang; Gao, Xinlong; Lei, Aiwen] Wuhan Univ, Inst Adv Studies, Coll Chem & Mol Sci, Wuhan 430072, Peoples R China. [Bunel, Emilio E.; Lei, Aiwen] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Lei, Aiwen] Jiangxi Normal Univ, Natl Res Ctr Carbohydrate Synth, Nanchang 330022, Peoples R China. RP Bunel, EE (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ebunel@anl.gov; aiwenlei@whu.edu.cn RI Lei, Aiwen/G-8033-2015; ID, MRCAT/G-7586-2011 OI Lei, Aiwen/0000-0001-8417-3061; FU 973 Program [2011CB808600, 2012CB725302]; National Natural Science Foundation of China [21390400, 21025206, 21272180, 21302148]; Research Fund for the Doctoral Program of Higher Education of China [20120141130002]; Program for Changjiang Scholars and Innovative Research Team in University [IRT1030]; Chemical Sciences and Engineering Division, Argonne National Laboratory; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy; MRCAT member institutions FX This work was supported by the 973 Program (2011CB808600, 2012CB725302), the National Natural Science Foundation of China (21390400, 21025206, 21272180, 21302148), the Research Fund for the Doctoral Program of Higher Education of China (20120141130002), and the Program for Changjiang Scholars and Innovative Research Team in University (IRT1030). The Program of Introducing Talents of Discipline to Universities of China (111 Program) is appreciated as well. This work was also funded by the Chemical Sciences and Engineering Division, Argonne National Laboratory. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. NR 79 TC 9 Z9 9 U1 14 U2 89 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1523-7060 EI 1523-7052 J9 ORG LETT JI Org. Lett. PD MAY 1 PY 2015 VL 17 IS 9 BP 2174 EP 2177 DI 10.1021/acs.orglett.5b00775 PG 4 WC Chemistry, Organic SC Chemistry GA CH4LG UT WOS:000354004400035 PM 25860622 ER PT J AU Wierer, JJ Tsao, JY AF Wierer, Jonathan J., Jr. Tsao, Jeffrey Y. TI Advantages of III-nitride laser diodes in solid-state lighting SO PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE LA English DT Article; Proceedings Paper CT 8th International Workshop on Nitride Semiconductors(IWN 2014) CY AUG 24-29, 2015 CL Wroclaw, POLAND DE laser diodes; light-emitting diodes; phosphor-converted; solid-state lighting; III-nitride ID EMITTING-DIODES; QUANTUM-WELLS; EFFICIENCY AB III-nitride laser diodes (LDs) are an interesting light source for solid-state lighting (SSL). Modelling of LDs is performed to reveal the potential advantages over traditionally used light-emitting diodes (LEDs). The first, and most notable, advantage is LDs have higher efficiency at higher currents when compared to LEDs. This is because Auger recombination that causes efficiency droop can no longer grow after laser threshold. Second, the same phosphor-converted methods used with LEDs can also be used with LDs to produce white light with similar color rendering and color temperature. Third, producing white light from color mixed emitters is equally challenging for both LEDs and LDs, with neither source having a direct advantage. Fourth, the LD emission is directional and can be more readily captured and focused, leading to the possibility of novel and more compact luminaires. Finally, the smaller area and higher current density operation of LDs provides them with a potential cost advantage over LEDs. These advantages make LDs a compelling source for future SSL. C1 [Wierer, Jonathan J., Jr.; Tsao, Jeffrey Y.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wierer, JJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jwierer@sandia.gov RI Wierer, Jonathan/G-1594-2013 OI Wierer, Jonathan/0000-0001-6971-4835 FU Sandia's Solid-State-Lighting Science Energy Frontier Research Center - U.S. Department of Energy, Office of Basic Energy Sciences; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Dmitry Sizov for his useful discussions on LD efficiency and modelling. This work was supported by Sandia's Solid-State-Lighting Science Energy Frontier Research Center, funded by the U.S. Department of Energy, Office of Basic Energy Sciences. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 41 TC 10 Z9 10 U1 4 U2 21 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1862-6300 EI 1862-6319 J9 PHYS STATUS SOLIDI A JI Phys. Status Solidi A-Appl. Mat. PD MAY PY 2015 VL 212 IS 5 SI SI BP 980 EP 985 DI 10.1002/pssa.201431700 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA CI0DB UT WOS:000354405000014 ER PT J AU D'Aquila, K Liu, YZ Iddir, H Petford-Long, AK AF D'Aquila, Kenneth Liu, Yuzi Iddir, Hakim Petford-Long, Amanda K. TI In situ TEM study of reversible and irreversible electroforming in Pt/Ti:NiO/Pt heterostructures SO PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS LA English DT Article DE NiO; resistive switching; transmission electron microscopy; heterostructures ID RESISTIVE SWITCHING MEMORY; NIO THIN-FILMS; NICKEL-OXIDE; ELECTROMIGRATION; STABILITY; FILAMENT; METALS AB Experimental verification of the microscopic origin of resistance switching in metal/oxide/metal heterostructures is needed for applications in non-volatile memory and neuromorphic computing. Numerous reports suggest that resistance switching in NiO is caused by local reduction of the oxide layer into nanoscale conducting filaments, but few reports have shown experimental evidence correlating electroforming with site-specific changes in composition. We have investigated the mechanisms of reversible and irreversible electroforming in 250-500 nm wide pillars patterned from a single Ta/Ti/Pt/Ti-doped NiO/Pt/Ta heterostructure and have shown that these can coexist within a single sample. We performed in situ transmission electron microscopy (TEM) electroforming and switching on each pillar to correlate the local electron transport behavior with microstructure and composition in each pillar. DFT calculations fitted to electron energy loss spectroscopy data showed that the Ti-doped NiO layer is partially reduced after reversible electroforming, with the formation of oxygen vacancies ordered into lines in the < 110 > direction. However, under the same probing conditions, adjacent pillars show irreversible electroforming caused by electromigration of metallic Ta to form a single bridge across the oxide layer. We propose that the different electroforming behaviors are related to microstructural variations across the sample and may lead to switching variability. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [D'Aquila, Kenneth; Iddir, Hakim; Petford-Long, Amanda K.] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. [Liu, Yuzi] Argonne Natl Lab, Nanosci & Technol Div, Argonne, IL 60439 USA. [D'Aquila, Kenneth; Petford-Long, Amanda K.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Petford-Long, AK (reprint author), Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. EM petford.long@anl.gov RI Liu, Yuzi/C-6849-2011 FU U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division. Use of the Center for Nanoscale Materials, including resources in the Electron Microscopy Center, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Computer time allocations at the Fusion Computer Facility, Argonne National Laboratory and at EMSL Pacific Northwest National Laboratory are gratefully acknowledged. NR 39 TC 2 Z9 2 U1 6 U2 61 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1862-6254 EI 1862-6270 J9 PHYS STATUS SOLIDI-R JI Phys. Status Solidi-Rapid Res. Lett. PD MAY PY 2015 VL 9 IS 5 BP 301 EP 306 DI 10.1002/pssr.201510063 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA CI6RI UT WOS:000354888300005 ER PT J AU Noutsos, C Perera, AM Nikolau, BJ Seaver, SMD Ware, DH AF Noutsos, Christos Perera, Ann M. Nikolau, Basil J. Seaver, Samuel M. D. Ware, Doreen H. TI Metabolomic Profiling of the Nectars of Aquilegia pubescens and A-Canadensis SO PLOS ONE LA English DT Article ID SUGAR COMPOSITION; AMINO-ACIDS; FLOWERS; HUMMINGBIRDS; POLLINATION; ANNOTATION; PARENTS; HYBRIDS; SEED AB To date, variation in nectar chemistry of flowering plants has not been studied in detail. Such variation exerts considerable influence on pollinator-plant interactions, as well as on flower traits that play important roles in the selection of a plant for visitation by specific pollinators. Over the past 60 years the Aquilegia genus has been used as a key model for speciation studies. In this study, we defined the metabolomic profiles of flower samples of two Aquilegia species, A. Canadensis and Aquilegia pubescens. We identified a total of 75 metabolites that were classified into six main categories: organic acids, fatty acids, amino acids, esters, sugars, and unknowns. The mean abundances of 25 of these metabolites were significantly different between the two species, providing insights into interspecies variation in floral chemistry. Using the PlantSEED biochemistry database, we found that the majority of these metabolites are involved in biosynthetic pathways. Finally, we explored the annotated genome of A. coerulea, using the PlantSEED pipeline and reconstructed the metabolic network of Aquilegia. This network, which contains the metabolic pathways involved in generating the observed chemical variation, is now publicly available from the DOE Systems Biology Knowledge Base (KBase; http://kbase.us). C1 [Noutsos, Christos; Ware, Doreen H.] Cold Spring Harbor Lab, Cold Spring Harbor, NY 11724 USA. [Perera, Ann M.; Nikolau, Basil J.] Iowa State Univ, WM Keck Metabol Res Lab, Ames, IA USA. [Nikolau, Basil J.] Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA USA. [Seaver, Samuel M. D.] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Seaver, Samuel M. D.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [Ware, Doreen H.] USDA ARS, NAA, Robert W Holley Ctr, Ithaca, NY 14853 USA. RP Noutsos, C (reprint author), Cold Spring Harbor Lab, POB 100, Cold Spring Harbor, NY 11724 USA. EM cnoutsos@cshl.edu FU National Science Foundation of United States of America under Division of Biological Infrastructure [DBI-1265382]; Department of Energy [DE-AC02-98CH10886]; NSF [BDI-1265383]; iPlant Collaborative Project FX This work was funded by grants from the National Science Foundation of United States of America under the Division of Biological Infrastructure to Dr. Doreen Ware who is Co-Principal Investigator to the DBI-1265382. Financial support was provided by the Department of Energy (DE-AC02-98CH10886) for Seaver SMD and to Christos Noutsos from the NSF by the BDI-1265383, the iPlant Collaborative Project. Basil J. Nikolau and and Ann M. Perera received no specific funding for this work. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 41 TC 3 Z9 3 U1 3 U2 17 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD MAY 1 PY 2015 VL 10 IS 5 AR e0124501 DI 10.1371/journal.pone.0124501 PG 13 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH2XA UT WOS:000353887100046 PM 25933103 ER PT J AU Blakely, E AF Blakely, E. TI Warren K. Sinclair March 9, 1924-May 14, 2014 IN MEMORIAM SO RADIATION RESEARCH LA English DT Biographical-Item C1 LBNL, Berkeley, CA 94720 USA. RP Blakely, E (reprint author), LBNL, Berkeley, CA 94720 USA. NR 1 TC 0 Z9 0 U1 0 U2 0 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 MAY PY 2015 VL 183 IS 5 BP 584 EP 585 DI 10.1667/RR00WS.1 PG 2 WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology, Nuclear Medicine & Medical Imaging GA CI7VI UT WOS:000354972500011 PM 26000759 ER PT J AU Liu, WS Stewart, CN AF Liu, Wusheng Stewart, C. Neal, Jr. TI Plant synthetic biology SO TRENDS IN PLANT SCIENCE LA English DT Review DE plant synthetic biology; design cycle; enabling tools; engineering principles; pioneering applications ID GENE NETWORKS; BIOCHEMICAL NETWORKS; TRANSGENIC TOBACCO; ARABIDOPSIS PLANTS; ESCHERICHIA-COLI; DESIGN; CELL; CIRCUITS; PATHWAY; PROMOTERS AB Plant synthetic biology is an emerging field that combines engineering principles with plant biology toward the design and production of new devices. This emerging field should play an important role in future agriculture for traditional crop improvement, but also in enabling novel bioproduction in plants. In this review we discuss the design cycles of synthetic biology as well as key engineering principles, genetic parts, and computational tools that can be utilized in plant synthetic biology. Some pioneering examples are offered as a demonstration of how synthetic biology can be used to modify plants for specific purposes. These include synthetic sensors, synthetic metabolic pathways, and synthetic genomes. We also speculate about the future of synthetic biology of plants. C1 [Liu, Wusheng; Stewart, C. Neal, Jr.] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. [Stewart, C. Neal, Jr.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Stewart, CN (reprint author), Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. EM nealstewart@utk.edu FU University of Tennessee; US Department of Agriculture Hatch Grant; US Department of Energy ARPA-E PETRO; BioEnergy Science Center (BESC); Office of Biological and Environmental Research in the Department of Energy (DOE) Office of Science FX The authors thank the University of Tennessee, a US Department of Agriculture Hatch Grant, the US Department of Energy ARPA-E PETRO, and the BioEnergy Science Center (BESC) for funding. The BESC is a Bioenergy Research Center supported by the Office of Biological and Environmental Research in the Department of Energy (DOE) Office of Science. NR 91 TC 13 Z9 13 U1 13 U2 81 PU ELSEVIER SCIENCE LONDON PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1360-1385 J9 TRENDS PLANT SCI JI Trends Plant Sci. PD MAY PY 2015 VL 20 IS 5 BP 309 EP 317 DI 10.1016/j.tplants.2015.02.004 PG 9 WC Plant Sciences SC Plant Sciences GA CI8TR UT WOS:000355045100011 PM 25825364 ER PT J AU Aab, A Abreu, P Aglietta, M Ahn, EJ Al Samarai, I Albuquerque, IFM Allekotte, I Allen, J Allison, P Almela, A Castillo, JA Alvarez-Muniz, J Batista, RA Ambrosio, M Aminaei, A Anchordoqui, L Andringa, S Aramo, C Aranda, VM Arqueros, F Asorey, H Assis, P Aublin, J Ave, M Avenier, M Avila, G Awal, N Badescu, AM Barber, KB Bauml, J Baus, C Beatty, JJ Becker, KH Bellido, JA Berat, C Bertaina, ME Bertou, X Biermann, PL Billoir, P Blaess, SG Blanco, M Bleve, C Blumer, H Bohacova, M Boncioli, D Bonifazi, C Bonino, R Borodai, N Brack, J Brancus, I Bridgeman, A Brogueira, P Brown, WC Buchholz, P Bueno, A Buitink, S Buscemi, M Caballero-Mora, KS Caccianiga, B Caccianiga, L Candusso, M Caramete, L Caruso, R Castellina, A Cataldi, G Cazon, L Cester, R Chavez, AG Chiavassa, A Chinellato, JA Chudoba, J Cilmo, M Clay, RW Cocciolo, G Colalillo, R Coleman, A Collica, L Coluccia, MR Conceciao, R Contreras, F Cooper, MJ Cordier, A Coutu, S Covault, CE Cronin, J Curutiu, A Dallier, R Daniel, B Dasso, S Daumiller, K Dawson, BR de Almeida, RM De Domenico, M de Jong, SJ Neto, JRTD De Mitri, I de Oliveira, J de Souza, V del Peral, L Deligny, O Dembinski, H Dhital, N Di Giulio, C Di Matteo, A Diaz, JC Castro, MLD Diogo, F Dobrigkeit, C Docters, W D'Olivo, JC Dorofeev, A Hasankiadeh, QD Dova, MT Ebr, J Engel, R Erdmann, M Erfani, M Escobar, CO Espadanal, J Etchegoyen, A Luis, PFS Falcke, H Fang, K Farrar, G Fauth, AC Fazzini, N Ferguson, AP Fernandes, M Fick, B Figueira, JM Filevich, A Filipcic, A Fox, BD Fratu, O Freire, MM Frohlich, U Fuchs, B Fujii, T Gaior, R Garcia, B Garcia-Gamez, D Garcia-Pinto, D Garilli, G Bravo, AG Gate, F Gemmeke, H Ghia, PL Giaccari, U Giammarchi, M Giller, M Glaser, C Glass, H Berisso, MG Vitale, PFG Goncalves, P Gonzalez, JG Gonzalez, N Gookin, B Gordon, J Gorgi, A Gorham, P Gouffon, P Grebe, S Griffith, N Grillo, AF Grubb, TD Guarino, F Guedes, GP Hampel, MR Hansen, P Harari, D Harrison, TA Hartmann, S Harton, JL Haungs, A Hebbeker, T Heck, D Heimann, P Herve, AE Hill, GC Hojvat, C Hollon, N Holt, E Homola, P Horandel, JR Horvath, P Hrabovsky, M Huber, D Huege, T Insolia, A Isar, PG Jandt, I Jansen, S Jarne, C Josebachuili, M Kaapa, A Kambeitz, O Kampert, KH Kasper, P Katkov, I Kegl, B Keilhauer, B Keivani, A Kemp, E Kieckhafer, RM Klages, HO Kleifges, M Kleinfeller, J Krause, R Krohm, N Kromer, O Kruppke-Hansen, D Kuempel, D Kunka, N LaHurd, D Latronico, L Lauer, R Lauscher, M Lautridou, P Le Coz, S Leao, MSAB Lebrun, D Lebrun, P de Oliveira, MAL Letessier-Selvon, A Lhenry-Yvon, I Link, K Lopez, R Louedec, K Bahilo, JL Lu, L Lucero, A Ludwig, M Malacari, M Maldera, S Mallamaci, M Maller, J Mandat, D Mantsch, P Mariazzi, AG Marin, V Maris, IC Marsella, G Martello, D Martin, L Martinez, H Bravo, OM Martraire, D Meza, JJM Mathes, HJ Mathys, S Matthews, J Matthews, JAJ Matthiae, G Maurel, D Maurizio, D Mayotte, E Mazur, PO Medina, C Medina-Tanco, G Meissner, R Melissas, M Melo, D Menshikov, A Messina, S Meyhandan, R Micanovic, S Micheletti, MI Middendorf, L Minaya, IA Miramonti, L Mitrica, B Molina-Bueno, L Mollerach, S Monasor, M Ragaigne, DM Montanet, F Morello, C Mostafa, M Moura, CA Muller, MA Muller, G Muller, S Munchmeyer, M Mussa, R Navarra, G Navas, S Necesal, P Nellen, L Nelles, A Neuser, J Nguyen, PH Niechciol, M Niemietz, L Niggemann, T Nitz, D Nosek, D Novotny, V Nozka, L Ochilo, L Oikonomou, F Olinto, A Oliveira, M Pacheco, N Selmi-Dei, DP Palatka, M Pallotta, J Palmieri, N Papenbreer, P Parente, G Parra, A Paul, T Pech, M Pekala, J Pelayo, R Pepe, IM Perrone, L Petermann, E Peters, C Petrera, S Petrov, Y Phuntsok, J Piegaia, R Pierog, T Pieroni, P Pimenta, M Pirronello, V Platino, M Plum, M Porcelli, A Porowski, C Prado, RR Privitera, P Prouza, M Purrello, V Quel, EJ Querchfeld, S Quinn, S Rautenberg, J Ravel, O Ravignani, D Revenu, B Ridky, J Riggi, S Risse, M Ristori, P Rizi, V de Carvalho, WR Fernandez, GR Rojo, JR Rodriguez-Frias, MD Rogozin, D Ros, G Rosado, J Rossler, T Roth, M Roulet, E Rovero, AC Saffi, SJ Saftoiu, A Salamida, F Salazar, H Saleh, A Greus, FS Salina, G Sanchez, F Sanchez-Lucas, P Santo, CE Santos, E Santos, EM Sarazin, F Sarkar, B Sarmento, R Sato, R Scharf, N Scherini, V Schieler, H Schiffer, P Schmidt, D Scholten, O Schoorlemmer, H Schovanek, P Schroder, FG Schulz, A Schulz, J Schumacher, J Sciutto, SJ Segreto, A Settimo, M Shadkam, A Shellard, RC Sidelnik, I Sigl, G Sima, O Smialkowski, A Smida, R Snow, GR Sommers, P Sorokin, J Squartini, R Srivastava, YN Stanic, S Stapleton, J Stasielak, J Stephan, M Stutz, A Suarez, F Suomijarvi, T Supanitsky, AD Sutherland, MS Swain, J Szadkowski, Z Szuba, M Taborda, OA Tapia, A Tepe, A Theodoro, VM Timmermans, C Peixoto, CJT Toma, G Tomankova, L Tome, B Tonachini, A Elipe, GT Machado, DT Travnicek, P Trovato, E Ulrich, R Unger, M Urban, M Galicia, JFV Valino, I Valore, L van Aar, G van Bodegom, P van den Berg, AM van Velzen, S van Vliet, A Varela, E Cardenas, BV Varner, G Vazquez, JR Vazquez, RA Veberic, D Verzi, V Vicha, J Videla, M Nor, LV Vlcek, B Vorobiov, S Wahlberg, H Wainberg, O Walz, D Watson, AA Weber, M Weidenhaupt, K Weindl, A Werner, F Widom, A Wiencke, L Wilczynska, B Wilczynski, H Williams, C Winchen, T Wittkowski, D Wundheiler, B Wykes, S Yamamoto, T Yapici, T Yuan, G Yushkov, A Zamorano, B Zas, E Zavrtanik, D Zavrtanik, M Zepeda, A Zhou, J Zhu, Y Silva, MZ Ziolkowski, M Zuccarello, F AF Aab, A. Abreu, P. Aglietta, M. Ahn, E. J. Al Samarai, I. Albuquerque, I. F. M. Allekotte, I. Allen, J. Allison, P. Almela, A. Castillo, J. Alvarez Alvarez-Muniz, J. Batista, R. Alves Ambrosio, M. Aminaei, A. Anchordoqui, L. Andringa, S. Aramo, C. Aranda, V. M. Arqueros, F. Asorey, H. Assis, P. Aublin, J. Ave, M. Avenier, M. Avila, G. Awal, N. Badescu, A. M. Barber, K. B. Baeuml, J. Baus, C. Beatty, J. J. Becker, K. H. Bellido, J. A. Berat, C. Bertaina, M. E. Bertou, X. Biermann, P. L. Billoir, P. Blaess, S. G. Blanco, M. Bleve, C. Bluemer, H. Bohacova, M. Boncioli, D. Bonifazi, C. Bonino, R. Borodai, N. Brack, J. Brancus, I. Bridgeman, A. Brogueira, P. Brown, W. C. Buchholz, P. Bueno, A. Buitink, S. Buscemi, M. Caballero-Mora, K. S. Caccianiga, B. Caccianiga, L. Candusso, M. Caramete, L. Caruso, R. Castellina, A. Cataldi, G. Cazon, L. Cester, R. Chavez, A. G. Chiavassa, A. Chinellato, J. A. Chudoba, J. Cilmo, M. Clay, R. W. Cocciolo, G. Colalillo, R. Coleman, A. Collica, L. Coluccia, M. R. Conceciao, R. Contreras, F. Cooper, M. J. Cordier, A. Coutu, S. Covault, C. E. Cronin, J. Curutiu, A. Dallier, R. Daniel, B. Dasso, S. Daumiller, K. Dawson, B. R. de Almeida, R. M. De Domenico, M. de Jong, S. J. de Mello Neto, J. R. T. De Mitri, I. de Oliveira, J. de Souza, V. del Peral, L. Deligny, O. Dembinski, H. Dhital, N. Di Giulio, C. Di Matteo, A. Diaz, J. C. Diaz Castro, M. L. Diogo, F. Dobrigkeit, C. Docters, W. D'Olivo, J. C. Dorofeev, A. Hasankiadeh, Q. Dorosti Dova, M. T. Ebr, J. Engel, R. Erdmann, M. Erfani, M. Escobar, C. O. Espadanal, J. Etchegoyen, A. Luis, P. Facal San Falcke, H. Fang, K. Farrar, G. Fauth, A. C. Fazzini, N. Ferguson, A. P. Fernandes, M. Fick, B. Figueira, J. M. Filevich, A. Filipcic, A. Fox, B. D. Fratu, O. Freire, M. M. Froehlich, U. Fuchs, B. Fujii, T. Gaior, R. Garcia, B. Garcia-Gamez, D. Garcia-Pinto, D. Garilli, G. Bravo, A. Gascon Gate, F. Gemmeke, H. Ghia, P. L. Giaccari, U. Giammarchi, M. Giller, M. Glaser, C. Glass, H. Berisso, M. Gomez Vitale, P. F. Gomez Goncalves, P. Gonzalez, J. G. Gonzalez, N. Gookin, B. Gordon, J. Gorgi, A. Gorham, P. Gouffon, P. Grebe, S. Griffith, N. Grillo, A. F. Grubb, T. D. Guarino, F. Guedes, G. P. Hampel, M. R. Hansen, P. Harari, D. Harrison, T. A. Hartmann, S. Harton, J. L. Haungs, A. Hebbeker, T. Heck, D. Heimann, P. Herve, A. E. Hill, G. C. Hojvat, C. Hollon, N. Holt, E. Homola, P. Hoerandel, J. R. Horvath, P. Hrabovsky, M. Huber, D. Huege, T. Insolia, A. Isar, P. G. Jandt, I. Jansen, S. Jarne, C. Josebachuili, M. Kaeaepae, A. Kambeitz, O. Kampert, K. H. Kasper, P. Katkov, I. Kegl, B. Keilhauer, B. Keivani, A. Kemp, E. Kieckhafer, R. M. Klages, H. O. Kleifges, M. Kleinfeller, J. Krause, R. Krohm, N. Kroemer, O. Kruppke-Hansen, D. Kuempel, D. Kunka, N. LaHurd, D. Latronico, L. Lauer, R. Lauscher, M. Lautridou, P. Le Coz, S. Leao, M. S. A. B. Lebrun, D. Lebrun, P. Leigui de Oliveira, M. A. Letessier-Selvon, A. Lhenry-Yvon, I. Link, K. Lopez, R. Louedec, K. Bahilo, J. Lozano Lu, L. Lucero, A. Ludwig, M. Malacari, M. Maldera, S. Mallamaci, M. Maller, J. Mandat, D. Mantsch, P. Mariazzi, A. G. Marin, V. Maris, I. C. Marsella, G. Martello, D. Martin, L. Martinez, H. Martinez Bravo, O. Martraire, D. Meza, J. J. Masias Mathes, H. J. Mathys, S. Matthews, J. Matthews, J. A. J. Matthiae, G. Maurel, D. Maurizio, D. Mayotte, E. Mazur, P. O. Medina, C. Medina-Tanco, G. Meissner, R. Melissas, M. Melo, D. Menshikov, A. Messina, S. Meyhandan, R. Micanovic, S. Micheletti, M. I. Middendorf, L. Minaya, I. A. Miramonti, L. Mitrica, B. Molina-Bueno, L. Mollerach, S. Monasor, M. Ragaigne, D. Monnier Montanet, F. Morello, C. Mostafa, M. Moura, C. A. Muller, M. A. Mueller, G. Mueller, S. Muenchmeyer, M. Mussa, R. Navarra, G. Navas, S. Necesal, P. Nellen, L. Nelles, A. Neuser, J. Nguyen, P. H. Niechciol, M. Niemietz, L. Niggemann, T. Nitz, D. Nosek, D. Novotny, V. Nozka, L. Ochilo, L. Oikonomou, F. Olinto, A. Oliveira, M. Pacheco, N. Selmi-Dei, D. Pakk Palatka, M. Pallotta, J. Palmieri, N. Papenbreer, P. Parente, G. Parra, A. Paul, T. Pech, M. Pekala, J. Pelayo, R. Pepe, I. M. Perrone, L. Petermann, E. Peters, C. Petrera, S. Petrov, Y. Phuntsok, J. Piegaia, R. Pierog, T. Pieroni, P. Pimenta, M. Pirronello, V. Platino, M. Plum, M. Porcelli, A. Porowski, C. Prado, R. R. Privitera, P. Prouza, M. Purrello, V. Quel, E. J. Querchfeld, S. Quinn, S. Rautenberg, J. Ravel, O. Ravignani, D. Revenu, B. Ridky, J. Riggi, S. Risse, M. Ristori, P. Rizi, V. Rodrigues de Carvalho, W. Fernandez, G. Rodriguez Rojo, J. Rodriguez Rodriguez-Frias, M. D. Rogozin, D. Ros, G. Rosado, J. Rossler, T. Roth, M. Roulet, E. Rovero, A. C. Saffi, S. J. Saftoiu, A. Salamida, F. Salazar, H. Saleh, A. Greus, F. Salesa Salina, G. Sanchez, F. Sanchez-Lucas, P. Santo, C. E. Santos, E. Santos, E. M. Sarazin, F. Sarkar, B. Sarmento, R. Sato, R. Scharf, N. Scherini, V. Schieler, H. Schiffer, P. Schmidt, D. Scholten, O. Schoorlemmer, H. Schovanek, P. Schroeder, F. G. Schulz, A. Schulz, J. Schumacher, J. Sciutto, S. J. Segreto, A. Settimo, M. Shadkam, A. Shellard, R. C. Sidelnik, I. Sigl, G. Sima, O. Smialkowski, A. Smida, R. Snow, G. R. Sommers, P. Sorokin, J. Squartini, R. Srivastava, Y. N. Stanic, S. Stapleton, J. Stasielak, J. Stephan, M. Stutz, A. Suarez, F. Suomijaervi, T. Supanitsky, A. D. Sutherland, M. S. Swain, J. Szadkowski, Z. Szuba, M. Taborda, O. A. Tapia, A. Tepe, A. Theodoro, V. M. Timmermans, C. Peixoto, C. J. Todero Toma, G. Tomankova, L. Tome, B. Tonachini, A. Elipe, G. Torralba Machado, D. Torres Travnicek, P. Trovato, E. Ulrich, R. Unger, M. Urban, M. Galicia, J. F. Valdes Valino, I. Valore, L. van Aar, G. van Bodegom, P. van den Berg, A. M. van Velzen, S. van Vliet, A. Varela, E. Cardenas, B. Vargas Varner, G. Vazquez, J. R. Vazquez, R. A. Veberic, D. Verzi, V. Vicha, J. Videla, M. Nor, L. Villase Vlcek, B. Vorobiov, S. Wahlberg, H. Wainberg, O. Walz, D. Watson, A. A. Weber, M. Weidenhaupt, K. Weindl, A. Werner, F. Widom, A. Wiencke, L. Wilczynska, B. Wilczynski, H. Williams, C. Winchen, T. Wittkowski, D. Wundheiler, B. Wykes, S. Yamamoto, T. Yapici, T. Yuan, G. Yushkov, A. Zamorano, B. Zas, E. Zavrtanik, D. Zavrtanik, M. Zepeda, A. Zhou, J. Zhu, Y. Silva, M. Zimbres Ziolkowski, M. Zuccarello, F. CA Pierre Auger Collaboration TI SEARCHES FOR ANISOTROPIES IN THE ARRIVAL DIRECTIONS OF THE HIGHEST ENERGY COSMIC RAYS DETECTED BY THE PIERRE AUGER OBSERVATORY SO ASTROPHYSICAL JOURNAL LA English DT Article DE acceleration of particles; astroparticle physics ID SURFACE DETECTOR; UPPER LIMIT; SKY; SPECTRUM; CATALOG; ARRAY; NUCLEI; FIELD AB We analyze the distribution of arrival directions of ultra-high-energy cosmic rays recorded at the Pierre Auger Observatory in 10 years of operation. The data set, about three times larger than that used in earlier studies, includes arrival directions with zenith angles up to 80 degrees, thus covering from -90 degrees to +45 degrees in declination. After updating the fraction of events correlating with the active galactic nuclei (AGNs) in the Veron-Cetty and Veron catalog, we subject the arrival directions of the data with energies in excess of 40 EeV to different tests for anisotropy. We search for localized excess fluxes, self-clustering of event directions at angular scales up to 30 degrees, and different threshold energies between 40 and 80 EeV. We then look for correlations of cosmic rays with celestial structures both in the Galaxy (the Galactic Center and Galactic Plane) and in the local universe (the Super-Galactic Plane). We also examine their correlation with different populations of nearby extragalactic objects: galaxies in the 2MRS catalog, AGNs detected by Swift-BAT, radio galaxies with jets, and the Centaurus A (Cen A) galaxy. None of the tests show statistically significant evidence of anisotropy. The strongest departures from isotropy (post-trial probability similar to 1.4%) are obtained for cosmic rays with E > 58 EeV in rather large windows around Swift AGNs closer than 130 Mpc and brighter than 10(44) erg s(-1) (18 degrees radius), and around the direction of Cen A (15 degrees radius). C1 [Allekotte, I.; Asorey, H.; Ave, M.; Bertou, X.; Berisso, M. Gomez; Harari, D.; Mollerach, S.; Purrello, V.; Roulet, E.; Sidelnik, I.; Taborda, O. A.] CNEA UNCuyo CONICET, Ctr Atom Bariloche, San Carlos De Bariloche, Rio Negro, Argentina. [Allekotte, I.; Asorey, H.; Ave, M.; Bertou, X.; Berisso, M. Gomez; Harari, D.; Mollerach, S.; Purrello, V.; Roulet, E.; Sidelnik, I.; Taborda, O. A.] CNEA UNCuyo CONICET, Inst Balseiro, San Carlos De Bariloche, Rio Negro, Argentina. [Pallotta, J.; Quel, E. J.; Ristori, P.] CITEDEF, Ctr Invest Laseres & Aplicac, Buenos Aires, DF, Argentina. [Pallotta, J.; Quel, E. J.; Ristori, P.] Consejo Nacl Invest Cient & Tecn, RA-1033 Buenos Aires, DF, Argentina. 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Facal San; Fang, K.; Fujii, T.; Hollon, N.; Monasor, M.; Olinto, A.; Privitera, P.; Williams, C.; Yamamoto, T.; Zhou, J.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Fox, B. D.; Gorham, P.; Meyhandan, R.; Schoorlemmer, H.; Varner, G.] Univ Hawaii, Honolulu, HI 96822 USA. [Petermann, E.; Snow, G. R.] Univ Nebraska, Lincoln, NE USA. [Lauer, R.; Matthews, J. A. J.] Univ New Mexico, Albuquerque, NM 87131 USA. [Zepeda, A.] Univ Autonoma Chiapas, Tuxtla Gutierrez, Chis, Mexico. [Scholten, O.] Vrije Univ Brussel, Brussels, Belgium. RP Aab, A (reprint author), Univ Siegen, D-57068 Siegen, Germany. RI Chinellato, Jose Augusto/I-7972-2012; Chinellato, Carola Dobrigkeit /F-2540-2011; Arqueros, Fernando/K-9460-2014; Goncalves, Patricia /D-8229-2013; Moura Santos, Edivaldo/K-5313-2016; Tome, Bernardo/J-4410-2013; Gouffon, Philippe/I-4549-2012; de Almeida, Rogerio/L-4584-2016; Fauth, Anderson/F-9570-2012; De Domenico, Manlio/B-5826-2014; Parente, Gonzalo/G-8264-2015; Horvath, Pavel/G-6334-2014; dos Santos, Eva/N-6351-2013; Alvarez-Muniz, Jaime/H-1857-2015; de souza, Vitor/D-1381-2012; Rosado, Jaime/K-9109-2014; Badescu, Alina/B-6087-2012; Valino, Ines/J-8324-2012; Torralba Elipe, Guillermo/A-9524-2015; Carvalho Jr., Washington/H-9855-2015; Caramete, Laurentiu/C-2328-2011; Ridky, Jan/H-6184-2014; Pimenta, Mario/M-1741-2013; Zuccarello, Francesca/R-1834-2016; Bonino, Raffaella/S-2367-2016; Rodriguez Frias, Maria /A-7608-2015; Inst. of Physics, Gleb Wataghin/A-9780-2017; Mitrica, Bogdan/D-5201-2009; Alves Batista, Rafael/K-6642-2012; Rodriguez Fernandez, Gonzalo/C-1432-2014; Nosek, Dalibor/F-1129-2017; Lozano Bahilo, Julio/F-4881-2016; Todero Peixoto, Carlos Jose/G-3873-2012; Sao Carlos Institute of Physics, IFSC/USP/M-2664-2016; Abreu, Pedro/L-2220-2014; Assis, Pedro/D-9062-2013; Navas, Sergio/N-4649-2014; Cazon, Lorenzo/G-6921-2014; Conceicao, Ruben/L-2971-2014; Bueno, Antonio/F-3875-2015; Beatty, James/D-9310-2011; Guarino, Fausto/I-3166-2012; Colalillo, Roberta/R-5088-2016; Buscemi, Mario/R-5071-2016; Garcia Pinto, Diego/J-6724-2014; Espadanal, Joao/I-6618-2015; Vazquez, Jose Ramon/K-2272-2015; Martello, Daniele/J-3131-2012; Sima, Octavian/C-3565-2011; Insolia, Antonio/M-3447-2015; Ros, German/L-4764-2014; van den Berg, Adriaan/P-6792-2015; de Mello Neto, Joao/C-5822-2013; Pech, Miroslav/G-5760-2014; Brogueira, Pedro/K-3868-2012; zas, enrique/I-5556-2015 OI Chinellato, Jose Augusto/0000-0002-3240-6270; Chinellato, Carola Dobrigkeit /0000-0002-1236-0789; Arqueros, Fernando/0000-0002-4930-9282; Goncalves, Patricia /0000-0003-2042-3759; Moura Santos, Edivaldo/0000-0002-2818-8813; Tome, Bernardo/0000-0002-7564-8392; Gouffon, Philippe/0000-0001-7511-4115; de Almeida, Rogerio/0000-0003-3104-2724; Fauth, Anderson/0000-0001-7239-0288; De Domenico, Manlio/0000-0001-5158-8594; Parente, Gonzalo/0000-0003-2847-0461; Horvath, Pavel/0000-0002-6710-5339; dos Santos, Eva/0000-0002-0474-8863; Alvarez-Muniz, Jaime/0000-0002-2367-0803; Rosado, Jaime/0000-0001-8208-9480; Valino, Ines/0000-0001-7823-0154; Torralba Elipe, Guillermo/0000-0001-8738-194X; Carvalho Jr., Washington/0000-0002-2328-7628; Del Peral, Luis/0000-0003-2580-5668; Coutu, Stephane/0000-0003-2923-2246; Ulrich, Ralf/0000-0002-2535-402X; Novotny, Vladimir/0000-0002-4319-4541; Garcia, Beatriz/0000-0003-0919-2734; Dembinski, Hans/0000-0003-3337-3850; Salamida, Francesco/0000-0002-9306-8447; Ridky, Jan/0000-0001-6697-1393; Ravignani, Diego/0000-0001-7410-8522; Segreto, Alberto/0000-0001-7341-6603; Cataldi, Gabriella/0000-0001-8066-7718; Aglietta, Marco/0000-0001-8354-5388; Petrera, Sergio/0000-0002-6029-1255; Bonino, Raffaella/0000-0002-4264-1215; Rizi, Vincenzo/0000-0002-5277-6527; Castellina, Antonella/0000-0002-0045-2467; maldera, simone/0000-0002-0698-4421; Matthews, James/0000-0002-1832-4420; Yuan, Guofeng/0000-0002-1907-8815; Pimenta, Mario/0000-0002-2590-0908; de Jong, Sijbrand/0000-0002-3120-3367; Marsella, Giovanni/0000-0002-3152-8874; Aramo, Carla/0000-0002-8412-3846; Zuccarello, Francesca/0000-0003-1853-2550; Rodriguez Frias, Maria /0000-0002-2550-4462; Alves Batista, Rafael/0000-0003-2656-064X; Rodriguez Fernandez, Gonzalo/0000-0002-4683-230X; Nosek, Dalibor/0000-0001-6219-200X; Sigl, Guenter/0000-0002-4396-645X; Lozano Bahilo, Julio/0000-0003-0613-140X; Todero Peixoto, Carlos Jose/0000-0003-3669-8212; Abreu, Pedro/0000-0002-9973-7314; Assis, Pedro/0000-0001-7765-3606; Navas, Sergio/0000-0003-1688-5758; Cazon, Lorenzo/0000-0001-6748-8395; Conceicao, Ruben/0000-0003-4945-5340; Bueno, Antonio/0000-0002-7439-4247; Beatty, James/0000-0003-0481-4952; Guarino, Fausto/0000-0003-1427-9885; Colalillo, Roberta/0000-0002-4179-9352; Buscemi, Mario/0000-0003-2123-5434; Garcia Pinto, Diego/0000-0003-1348-6735; Espadanal, Joao/0000-0002-1301-8061; Vazquez, Jose Ramon/0000-0001-9217-5219; Martello, Daniele/0000-0003-2046-3910; Insolia, Antonio/0000-0002-9040-1566; Ros, German/0000-0001-6623-1483; de Mello Neto, Joao/0000-0002-3234-6634; Brogueira, Pedro/0000-0001-6069-4073; zas, enrique/0000-0002-4430-8117 FU Comision Nacional de Energia Atomica; Fundacion Antorchas; Gobierno de la Provincia de Mendoza; Municipalidad de Malargue; NDM Holdings, Argentina; Valle Las Lenas, Argentina; Australian Research Council; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), Brazil; Financiadora de Estudos e Projetos (FINEP), Brazil; Fundacao de Amparo a Pesquisa do Estado de Rio de Janeiro (FAPERJ), Brazil; Sao Paulo Research Foundation (FAPESP), Brazil [2012/51015-5, 2010/07359-6, 1999/05404-3]; Ministerio de Ciencia e Tecnologia (MCT), Brazil; Czech Science Foundation, Czech Republic [14-17501 S]; Centre de Calcul IN2P3/CNRS, France; Centre National de la Recherche Scientifique (CNRS), France; Conseil Regional Ile-de-France, France; Departement Physique Nucleaire et Corpusculaire (PNC-IN2P3/CNRS), France; Departement Sciences de l'Univers (SDU-INSU/CNRS), France; Institut Lagrange de Paris (ILP), within the Investissements d'Avenir Programme Grant, France [LABEX ANR-10-LABX-63, ANR-11-IDEX-0004-02]; Bundesministerium fur Bildung und Forschung (BMBF), Germany; Deutsche Forschungsgemeinschaft (DFG), Germany; Finanzministerium Baden-Wurttemberg, Germany; Helmholtz-Gemeinschaft Deutscher Forschungszentren (HGF), Germany; Ministerium fur Wissenschaft und Forschung, Nordrhein Westfalen, Germany; Ministerium fur Wissenschaft, Forschung und Kunst, Baden-Wurttemberg, Germany; Istituto Nazionale di Fisica Nucleare (INFN), Italy; Ministero dell'Istruzione, dell'Universita e della Ricerca (MIUR), Italy; Gran Sasso Center for Astroparticle Physics (CFA), Italy; CETEMPS Center of Excellence, Italy; Consejo Nacional de Ciencia y Tecnologia (CONACYT), Mexico; Ministerie van Onderwijs, Cultuur en Wetenschap, Netherlands; Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO), Netherlands; Stichting voor Fundamenteel Onderzoek der Materie (FOM), Netherlands; National Centre for Research and Development, Poland [ERA-NET-ASPERA/01/11, ERA-NET-ASPERA/02/11]; National Science Centre, Poland [2013/08/M/ST9/00322, 2013/08/M/ST9/00728, HARMONIA 5-2013/10/M/ST9/00062]; Portuguese national funds, Portugalwithin Programa Operacional Factores de Competitividade through Fundacao para a Ciencia e a Tecnologia (COMPETE), Portugal; FEDER funds within Programa Operacional Factores de Competitividade through Fundacao para a Ciencia e a Tecnologia (COMPETE), Portugal; Romanian Authority for Scientific Research ANCS, Romania; CNDI-UEFISCDI partnership projects, Romania [20/2012, 194/2012]; Minister of National Education, Romania; Programme Space Technology and Advanced Research (STAR), Romania [83/2013]; Slovenian Research Agency, Slovenia; Comunidad de Madrid, Spain; FEDER funds, Spain; Ministerio de Educacion y Ciencia, Xunta de Galicia, Spain; European Community 7th Framework Program, Spain [FP7-PEOPLE-2012-IEF-328826]; Science and Technology Facilities Council, United Kingdom; Department of Energy [DE-AC02-07CH11359, DE-FR02-04ER41300, DE-FG02-99ER41107, DE-SC0011689]; National Science Foundation [0450696]; Grainger Foundation, USA; NAFOSTED, Vietnam; Marie Curie-IRSES/EPLANET; European Particle Physics Latin American Network; European Union 7th Framework Program [PIRSES-2009-GA-246806]; UNESCO; [MSMT-CR LG13007]; [7AMB14AR005]; [CZ.1.05/2.1.00/03.0058]; [1/ASPERA2/2012 ERA-NET]; [PN-II-RU-PD-2011-3-0145-17]; [PN-II-RU-PD-2011-3-0062] FX The successful installation, commissioning, and operation of the Pierre Auger Observatory would not have been possible without the strong commitment and effort of the technical and administrative staff in Malargue. We are very grateful to the following agencies and organizations for their financial support: Comision Nacional de Energia Atomica, Fundacion Antorchas, Gobierno de la Provincia de Mendoza, Municipalidad de Malargue, NDM Holdings and Valle Las Lenas, in gratitude for their continuing cooperation over land access, Argentina; the Australian Research Council; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq), Financiadora de Estudos e Projetos (FINEP), Fundacao de Amparo a Pesquisa do Estado de Rio de Janeiro (FAPERJ), Sao Paulo Research Foundation (FAPESP) Grants No. 2012/51015-5, 2010/07359-6, and No. 1999/05404-3, Ministerio de Cincia e Tecnologia (MCT), Brazil; Grant No. MSMT-CR LG13007, No. 7AMB14AR005, No. CZ.1.05/2.1.00/03.0058, and the Czech Science Foundation Grant No. 14-17501 S, Czech Republic; Centre de Calcul IN2P3/CNRS, Centre National de la Recherche Scientifique (CNRS), Conseil Regional Ile-de-France, Departement Physique Nucleaire et Corpusculaire (PNC-IN2P3/CNRS), Departement Sciences de l'Univers (SDU-INSU/CNRS), Institut Lagrange de Paris (ILP) Grant No. LABEX ANR-10-LABX-63, within the Investissements d'Avenir Programme Grant No. ANR-11-IDEX-0004-02, France; Bundesministerium fur Bildung und Forschung (BMBF), Deutsche Forschungsgemeinschaft (DFG), Finanzministerium Baden-Wurttemberg, Helmholtz-Gemeinschaft Deutscher Forschungszentren (HGF), Ministerium fur Wissenschaft und Forschung, Nordrhein Westfalen, Ministerium fur Wissenschaft, Forschung und Kunst, Baden-Wurttemberg, Germany; Istituto Nazionale di Fisica Nucleare (INFN), Ministero dell'Istruzione, dell'Universita e della Ricerca (MIUR), Gran Sasso Center for Astroparticle Physics (CFA), CETEMPS Center of Excellence, Italy; Consejo Nacional de Ciencia y Tecnologia (CONACYT), Mexico; Ministerie van Onderwijs, Cultuur en Wetenschap, Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO), Stichting voor Fundamenteel Onderzoek der Materie (FOM), Netherlands; National Centre for Research and Development, Grants No. ERA-NET-ASPERA/01/11 and No. ERA-NET-ASPERA/02/11, National Science Centre, Grants No. 2013/08/M/ST9/00322, No. 2013/08/M/ST9/00728, and No. HARMONIA 5-2013/10/M/ST9/00062, Poland; Portuguese national funds and FEDER funds within Programa Operacional Factores de Competitividade through Fundacao para a Ciencia e a Tecnologia (COMPETE), Portugal; Romanian Authority for Scientific Research ANCS, CNDI-UEFISCDI partnership projects Grants No. 20/2012 and No. 194/2012, Grants No. 1/ASPERA2/2012 ERA-NET, No. PN-II-RU-PD-2011-3-0145-17, and No. PN-II-RU-PD-2011-3-0062, the Minister of National Education, Programme Space Technology and Advanced Research (STAR), Grant No. 83/2013, Romania; Slovenian Research Agency, Slovenia; Comunidad de Madrid, FEDER funds, Ministerio de Educacion y Ciencia, Xunta de Galicia, European Community 7th Framework Program, Grant No. FP7-PEOPLE-2012-IEF-328826, Spain; Science and Technology Facilities Council, United Kingdom; Department of Energy, Contracts No. DE-AC02-07CH11359, No. DE-FR02-04ER41300, No. DE-FG02-99ER41107, and No. DE-SC0011689, National Science Foundation, Grant No. 0450696, The Grainger Foundation, USA; NAFOSTED, Vietnam; Marie Curie-IRSES/EPLANET, European Particle Physics Latin American Network, European Union 7th Framework Program, Grant No. PIRSES-2009-GA-246806; and UNESCO. NR 40 TC 33 Z9 33 U1 5 U2 60 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD MAY 1 PY 2015 VL 804 IS 1 AR 15 DI 10.1088/0004-637X/804/1/15 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CH7BB UT WOS:000354189500015 ER PT J AU Barman, TS Konopacky, QM Macintosh, B Marois, C AF Barman, Travis S. Konopacky, Quinn M. Macintosh, Bruce Marois, Christian TI SIMULTANEOUS DETECTION OF WATER, METHANE, AND CARBON MONOXIDE IN THE ATMOSPHERE OF EXOPLANET HR 8799 b SO ASTROPHYSICAL JOURNAL LA English DT Article DE brown dwarfs; planetary systems; stars: atmospheres; stars: low-mass ID NEAR-INFRARED SPECTROSCOPY; GEMINI PLANET IMAGER; BROWN DWARFS; FIELD SPECTROGRAPH; GIANT PLANETS; 1ST LIGHT; LINE LIST; MU-M; SYSTEM; JUPITER AB Absorption lines from water, methane, and carbon monoxide are detected in the atmosphere of exoplanet HR 8799 b. A medium-resolution spectrum presented here shows well-resolved and easily identified spectral features from all three molecules across the K band. The majority of the lines are produced by CO and H2O, but several lines clearly belong to CH4. Comparisons between these data and atmosphere models covering a range of temperatures and gravities yield log mole fractions of H2O between -3.09 and -3.91, CO between -3.30 and -3.72, and CH4 between -5.06 and -5.85. More precise mole fractions are obtained for each temperature and gravity studied. A reanalysis of H-band data, previously obtained at a similar spectral resolution, results in a nearly identical water abundance as determined from the K-band spectrum. The methane abundance is shown to be sensitive to vertical mixing and indicates an eddy diffusion coefficient in the range of 10(6)-10(8) cm(2) s(-1), comparable to mixing in the deep troposphere of Jupiter. The model comparisons also indicate a carbon-to-oxygen ratio (C/O) between similar to 0.58 and 0.7, encompassing previous estimates for a second planet in the same system, HR 8799 c. Super-stellar C/O could indicate planet formation by core-accretion;. however, the range of possible C/O for these planets (and the star) is currently too large to comment strongly on planet formation. More precise values of the bulk properties (e.g., effective temperature and surface gravity) are needed for improved abundance estimates. C1 [Barman, Travis S.] Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. [Konopacky, Quinn M.] Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. [Konopacky, Quinn M.] Univ Toronto, Dunlap Inst Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Macintosh, Bruce] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. [Macintosh, Bruce] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Marois, Christian] NRC Herzberg Astron & Astrophys, Victoria, BC V9E 2E7, Canada. RP Barman, TS (reprint author), Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. EM barman@lpl.arizona.edu FU W. M. Keck Foundation; NSF; NASA; University of Arizona; JPL/NexSci RSA awards FX We thank the referee, Thayne Currie, for useful comments and a careful review of this paper. We also thank Sergei Yurchenko and the ExoMol group for providing a copy of their methane line list in advance of publication. We also thank Peter Hauschildt, Isabelle Baraffe, Gilles Chabrier, and Mark Marley for fruitful discussions during the course of this work. The data presented herein were obtained at the W. M. Keck Observatory, 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. The authors wish to recognize and acknowledge the very significant cultural role and reverence that the summit of Mauna Kea has always had within the indigenous Hawaiian community. We are most fortunate to have the opportunity to conduct observations from this mountain. Most of the numerical work was carried out at the NASA Advanced Supercomputing facilities. This research was support by the NSF and NASA grants to LLNL and the University of Arizona. This research was also support by JPL/NexSci RSA awards. We thank all of these institutions for their support. NR 39 TC 17 Z9 17 U1 3 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD MAY 1 PY 2015 VL 804 IS 1 AR 61 DI 10.1088/0004-637X/804/1/61 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CH7BB UT WOS:000354189500061 ER PT J AU Younes, G Kouveliotou, C Grefenstette, BW Tomsick, JA Tennant, A Finger, MH Furst, F Pottschmidt, K Bhalerao, V Boggs, SE Boirin, L Chakrabarty, D Christensen, FE Craig, WW Degenaar, N Fabian, AC Gandhi, P Gogus, E Hailey, CJ Harrison, FA Kennea, JA Miller, JM Stern, D Zhang, WW AF Younes, G. Kouveliotou, C. Grefenstette, B. W. Tomsick, J. A. Tennant, A. Finger, M. H. Fuerst, F. Pottschmidt, K. Bhalerao, V. Boggs, S. E. Boirin, L. Chakrabarty, D. Christensen, F. E. Craig, W. W. Degenaar, N. Fabian, A. C. Gandhi, P. Gogus, E. Hailey, C. J. Harrison, F. A. Kennea, J. A. Miller, J. M. Stern, D. Zhang, W. W. TI SIMULTANEOUS NuSTAR/CHANDRA OBSERVATIONS OF THE BURSTING PULSAR GRO J1744-28 DURING ITS THIRD REACTIVATION SO ASTROPHYSICAL JOURNAL LA English DT Article DE pulsars: general; stars: individual (GRO J1744-28); X-rays: binaries; X-rays: bursts ID X-RAY PULSARS; SPECTROSCOPIC-TELESCOPE-ARRAY; MAGNETIC NEUTRON-STARS; ACTIVE GALACTIC NUCLEI; ACCRETION DISK CORONA; CYCLOTRON LINE; BLACK-HOLE; KVANT OBSERVATIONS; NUSTAR DISCOVERY; TIMING-EXPLORER AB We report on a 10 ks simultaneous Chandra/High Energy Transmission Grating (HETG)-Nuclear Spectroscopic Telescope Array (NuSTAR) observation of the Bursting Pulsar, GRO J1744-28, during its third detected outburst since discovery and after nearly 18 yr of quiescence. The source is detected up to 60 keV with an Eddington persistent flux level. Seven bursts, followed by dips, are seen with Chandra, three of which are also detected with NuSTAR. Timing analysis reveals a slight increase in the persistent emission pulsed fraction with energy (from 10% to 15%) up to 10 keV, above which it remains constant. The 0.5-70 keV spectra of the persistent and dip emission are the same within errors and well described by a blackbody (BB), a power-law (PL) with an exponential rolloff, a 10 keV feature, and a 6.7 keV emission feature, all modified by neutral absorption. Assuming that the BB emission originates in an accretion disk, we estimate its inner (magnetospheric) radius to be about 4 x 10(7) cm, which translates to a surface dipole field B approximate to 9 x 10(10) G. The Chandra/HETG spectrum resolves the 6.7 keV feature into (quasi-)neutral and highly ionized Fe XXV and Fe XXVI emission lines. XSTAR modeling shows these lines to also emanate from a truncated accretion disk. The burst spectra, with a peak flux more than an order of magnitude higher than Eddington, are well fit with a PL with an exponential rolloff and a 10 keV feature, with similar fit values compared to the persistent and dip spectra. The burst spectra lack a thermal component and any Fe features. Anisotropic (beamed) burst emission would explain both the lack of the BB and any Fe components. C1 [Younes, G.; Finger, M. H.] Univ Space Res Assoc, Huntsville, AL 35806 USA. [Younes, G.; Kouveliotou, C.; Tennant, A.; Finger, M. H.] NSSTC, Huntsville, AL 35805 USA. [Kouveliotou, C.; Tennant, A.] NASA, George C Marshall Space Flight Ctr, Astrophys Off, Huntsville, AL 35812 USA. [Grefenstette, B. W.; Fuerst, F.; Harrison, F. A.] CALTECH, Cahill Ctr Astrophys, Pasadena, CA 91125 USA. [Tomsick, J. A.; Boggs, S. E.; Craig, W. W.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Pottschmidt, K.] Univ Maryland Baltimore Cty, Ctr Space Sci & Technol, Baltimore, MD 21250 USA. [Pottschmidt, K.] CRESST, Greenbelt, MD 20771 USA. [Pottschmidt, K.] NASA, Goddard Space Flight Ctr, Astrophys Sci Div, Greenbelt, MD 20771 USA. [Bhalerao, V.] Interuniv Ctr Astron & Astrophys, Pune 411007, Maharashtra, India. [Boirin, L.] Observ Astron, F-67000 Strasbourg, France. [Chakrabarty, D.] MIT, Kavli Inst Astrophys & Space Res, Cambridge, MA 02139 USA. [Christensen, F. E.; Miller, J. M.] Tech Univ Denmark, Natl Space Inst, DTU Space, DK-2800 Lyngby, Denmark. [Craig, W. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Degenaar, N.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Fabian, A. C.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Gandhi, P.] Univ Durham, Dept Phys, Durham DH1 3LE, England. [Gogus, E.] Sabanci Univ, TR-34956 Istanbul, Turkey. [Hailey, C. J.] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [Kennea, J. A.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Stern, D.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Zhang, W. W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Younes, G (reprint author), Univ Space Res Assoc, 6767 Old Madison Pike, Huntsville, AL 35806 USA. RI Boggs, Steven/E-4170-2015; OI Boggs, Steven/0000-0001-9567-4224; Bhalerao, Varun/0000-0002-6112-7609 FU NASA [NNG08FD60C]; National Aeronautics and Space Administration FX This work was supported under NASA Contract No. NNG08FD60C and made use of data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by the National Aeronautics and Space Administration. We thank the NuSTAR Operations, Software, and Calibration teams for support with the execution and analysis of these observations. This research has made use of the NuSTAR Data Analysis Software (NuSTARDAS) jointly developed by the ASI Science Data Center (ASDC, Italy) and the California Institute of Technology (USA). NR 96 TC 7 Z9 7 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD MAY 1 PY 2015 VL 804 IS 1 AR 43 DI 10.1088/0004-637X/804/1/43 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CH7BB UT WOS:000354189500043 ER PT J AU Zhang, HC Chen, XH Bottcher, M Guo, F Li, H AF Zhang, Haocheng Chen, Xuhui Boettcher, Markus Guo, Fan Li, Hui TI POLARIZATION SWINGS REVEAL MAGNETIC ENERGY DISSIPATION IN BLAZARS SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: active; galaxies: jets; gamma-rays: galaxies; radiation mechanisms: nonthermal; relativistic processes ID QUASAR PKS 1510-089; GAMMA-RAY ACTIVITY; 3C 279; MULTIWAVELENGTH OBSERVATIONS; RELATIVISTIC JET; INNER JET; RADIO; MODEL; VARIABILITY; FLARE AB The polarization signatures of blazar emissions are known to be highly variable. In addition to small fluctuations of the polarization angle around a mean value, large (greater than or similar to 180 degrees) polarization angle swings are sometimes observed. We suggest that such phenomena can be interpreted as arising from light travel time effects within an underlying axisymmetric emission region. We present the first simultaneous fitting of the multi-wavelength spectrum, variability, and time-dependent polarization features of a correlated optical and gamma-ray flaring event of the prominent blazar 3C279, which was accompanied by a drastic change in its polarization signatures. This unprecedented combination of spectral, variability, and polarization information in a coherent physical model allows us to place stringent constraints on the particle acceleration and magnetic field topology in the relativistic jet of a blazar, strongly favoring a scenario in which magnetic energy dissipation is the primary driver of the flare event. C1 [Zhang, Haocheng; Boettcher, Markus] Ohio Univ, Inst Astrophys, Dept Phys & Astron, Athens, OH 45701 USA. [Zhang, Haocheng; Guo, Fan; Li, Hui] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Chen, Xuhui] Univ Potsdam, Inst Phys & Astron, D-14476 Potsdam Golm, Germany. [Chen, Xuhui] DESY, D-15738 Zeuthen, Germany. [Boettcher, Markus] North West Univ, Ctr Space Res, ZA-2520 Potchefstroom, South Africa. RP Zhang, HC (reprint author), Ohio Univ, Inst Astrophys, Dept Phys & Astron, Athens, OH 45701 USA. EM hz193909@ohio.edu RI Guo, Fan/H-1723-2013; OI Guo, Fan/0000-0003-4315-3755 FU LANL/LDRD program; DoE/Office of Fusion Energy Science through CMSO; Helmholtz Alliance for Astroparticle Physics HAP - Initiative and Networking Fund of the Helmholtz Association; South African Research Chairs Initiative (SARChI) of the Department of Science and Technology; National Research Foundation6 of South Africa FX We thank the anonymous referee for a careful review and very helpful suggestions to improve the paper. H.Z., F.G., and H.L. are supported by the LANL/LDRD program and by DoE/Office of Fusion Energy Science through CMSO. X.C. acknowledges support by the Helmholtz Alliance for Astroparticle Physics HAP funded by the Initiative and Networking Fund of the Helmholtz Association. M.B. acknowledges support by the South African Research Chairs Initiative (SARChI) of the Department of Science and Technology and the National Research Foundation6 of South Africa. Simulations were conducted on LANL's Institutional Computing machines. NR 37 TC 18 Z9 18 U1 0 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 MAY 1 PY 2015 VL 804 IS 1 AR 58 DI 10.1088/0004-637X/804/1/58 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CH7BB UT WOS:000354189500058 ER PT J AU Audi, G Blaum, K Block, M Bollen, G Goriely, S Hardy, JC Herfurth, F Kondev, FG Kluge, HJ Lunney, D Pearson, JM Savard, G Sharma, KS Wang, M Zhang, YH AF Audi, G. Blaum, K. Block, M. Bollen, G. Goriely, S. Hardy, J. D. Herfurth, F. Kondev, F. G. Kluge, H. -J. Lunney, D. Pearson, J. M. Savard, G. Sharma, K. S. Wang, M. Zhang, Y. H. TI Comment on "Atomic mass compilation 2012" by B. Pfeiffer, K. Venkataramaniah, U. Czok, C. Scheidenberger SO ATOMIC DATA AND NUCLEAR DATA TABLES LA English DT Editorial Material DE Atomic masses; Data evaluation; Nuclear data; Correlations; Least-squares method ID ADJUSTMENT PROCEDURES; INPUT DATA; REFERENCES; GRAPHS; TABLES AB In order to avoid errors and confusion that may arise from the recent publication of a paper entitled "Atomic Mass Compilation 2012", we explain the important difference between a compilation and an evaluation; the former is a necessary but insufficient condition for the latter. The simple list of averaged mass values offered by the "Atomic Mass Compilation" uses none of the numerous links and correlations present in the large body of input data that are carefully maintained within the "Atomic Mass Evaluation". As such, the mere compilation can only produce results of inferior accuracy. Illustrative examples are given. (C) 2015 Elsevier Inc. All rights reserved. C1 [Audi, G.; Lunney, D.] Univ Paris 11, CNRS, CSNSM, IN2P3, F-91405 Orsay, France. [Blaum, K.] Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. [Block, M.; Herfurth, F.; Kluge, H. -J.] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany. [Bollen, G.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Goriely, S.] Univ Libre Bruxelles, Inst Astron & Astrophys, CP 226, B-1050 Brussels, Belgium. [Hardy, J. D.] Texas A&M Univ, Inst Cyclotron, College Stn, TX 77843 USA. [Kondev, F. G.; Savard, G.] Argonne Natl Lab, Argonne, IL 60439 USA. [Kluge, H. -J.] Heidelberg Univ, D-69120 Heidelberg, Germany. [Pearson, J. M.] Univ Montreal, Dept Phys, Montreal, PQ H3C 3J7, Canada. [Sharma, K. S.] Univ Manitoba, Dept Phys & Astron, Winnipeg, MB R3T 2N2, Canada. [Wang, M.; Zhang, Y. H.] Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China. RP Audi, G (reprint author), Univ Paris 11, CNRS, CSNSM, IN2P3, Bat 108, F-91405 Orsay, France. EM amdc.audi@gmail.com RI Block, Michael/I-2782-2015 OI Block, Michael/0000-0001-9282-8347 NR 8 TC 0 Z9 0 U1 0 U2 8 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0092-640X EI 1090-2090 J9 ATOM DATA NUCL DATA JI Atom. Data Nucl. Data Tables PD MAY-JUN PY 2015 VL 103 BP 1 EP 3 DI 10.1016/j.adt.2014.05.003 PG 3 WC Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Physics GA CI2OF UT WOS:000354586200001 ER PT J AU Kondev, FG Dracoulis, GD Kibedi, T AF Kondev, F. G. Dracoulis, G. D. Kibedi, T. TI Configurations and hindered decays of K isomers in deformed nuclei with A > 100 SO ATOMIC DATA AND NUCLEAR DATA TABLES LA English DT Article DE Deformed nuclei; K isomers; K-forbidden transitions; Reduced hindrances; Nuclear data ID MULTI-QUASI-PARTICLE; HIGH-SPIN STATES; RAY TRANSITION-PROBABILITIES; EVEN-EVEN NUCLEI; 3-QUASI-PARTICLE ROTATIONAL BANDS; HALF-LIFE MEASUREMENTS; RICH HAFNIUM NUCLEI; RARE-EARTH NUCLEI; ODD-MASS NUCLEI; DATA SHEETS AB Spectroscopic information on the decay properties of high-K isomers in deformed and transitional nuclei has been evaluated and collated, Assigned multi-quasiparticle configurations are included. Factors that control the transitions strengths, such as various contributions to K mixing, are outlined. The systematics of K-forbidden transitions for different multipolarities are discussed for selected cases in terms of the hindrances, F-W, and of the reduced hindrance factor per degree of K forbiddenness,f(v), where v = broken vertical bar Delta K-lambda broken vertical bar, Delta K is the K-value difference between the initial and final state and lambda is the transition multipole order. With the improved statistics for El, M1 and E2 transitions, a factorization into the product of the underlying multipolarity-dependent transition strength and a v-dependence, due to K forbiddenness (f(0)), is possible. This suggests a weaker dependence on K forbiddenness than is commonly assumed. (C) 2015 Elsevier Inc. All rights reserved. C1 [Kondev, F. G.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Dracoulis, G. D.; Kibedi, T.] Australian Natl Univ, Res Sch Phys & Engn, Dept Nucl Phys, Canberra, ACT 2601, Australia. RP Kondev, FG (reprint author), Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. EM kondev@anl.gov FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics [DE-AC02-06CH11357]; Australian Research Council [DP0986725, DP03445844, DP140102986] FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics under contract No. DE-AC02-06CH11357 and by the Australian Research Council Discovery Program grants DP0986725, DP03445844 and DP140102986. The authors are thankful to Dr. R.V.F. Janssens and Dr. D.J. Hartley for the critical reading of the manuscript, and for many useful comments, and suggestions. NR 534 TC 16 Z9 16 U1 4 U2 10 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0092-640X EI 1090-2090 J9 ATOM DATA NUCL DATA JI Atom. Data Nucl. Data Tables PD MAY-JUN PY 2015 VL 103 BP 50 EP 105 DI 10.1016/j.adt.2015.01.001 PG 56 WC Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Physics GA CI2OF UT WOS:000354586200003 ER PT J AU Graziani, F AF Graziani, Frank TI Special Issue: Part II Preface SO CONTRIBUTIONS TO PLASMA PHYSICS LA English DT Editorial Material C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Graziani, F (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0863-1042 EI 1521-3986 J9 CONTRIB PLASM PHYS JI Contrib. Plasma Phys. PD MAY PY 2015 VL 55 IS 5 BP 351 EP 351 PG 1 WC Physics, Fluids & Plasmas SC Physics GA CI0FL UT WOS:000354412000001 ER PT J AU Whitley, HD Sanchez, DM Hamel, S Correa, AA Benedict, LX AF Whitley, H. D. Sanchez, D. M. Hamel, S. Correa, A. A. Benedict, L. X. TI Molecular Dynamics Simulations of Warm Dense Carbon SO CONTRIBUTIONS TO PLASMA PHYSICS LA English DT Article; Proceedings Paper CT International Conference on Strongly Coupled Coulomb Systems (SCCS) CY JUN 27-AUG 01, 2014 CL Santa Fe, NM DE Classical molecular dynamics; density functional molecular dynamics; equation of state ID TOTAL-ENERGY CALCULATIONS; LASER-SHOCK COMPRESSION; AUGMENTED-WAVE METHOD; EQUATION-OF-STATE; BASIS-SET; DIAMOND; MATTER; SYSTEMS; METALS AB We present classical and DFT-based molecular dynamics (MD) simulations of carbon in the warm dense matter regime (rho= 3.7 g/cc, 0.86 eV < T < 8.62 eV [T < 100 eV for classical MD]). Two different classical interatomic potentials are used: 1. LCBOP, designed to simulate condensed (e.g. solid) phases of C, and 2. linearly screened Coulomb (Yukawa) potentials. It is shown that LCBOP over-predicts minima and maxima in the pair correlation functions of liquid-C in this regime when compared to the DFT-MD results. The screened Coulomb model, while under-correlating at low-T, seems to produce the correct qualitative features in the static ionic pair distributions at the highest-T. However, both approaches predict the decay in the ionic contribution of the specific heat as T -> infinity to be much slower than that predicted by a model based on DFT-MD. These differences in the MD-derived equations of state in warm dense regimes could have important consequences when using classical inter-ionic forces such as these in large-scale MD simulations aimed at studying, for instance, processes of relevance to inertial confinement fusion when C is used as an ablator material. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Whitley, H. D.; Hamel, S.; Correa, A. A.; Benedict, L. X.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Sanchez, D. M.] Univ Calif San Diego, La Jolla, CA 92093 USA. RP Whitley, HD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM heather@llnl.gov OI Whitley, Heather/0000-0002-2344-8698 FU DOE through a PECASE Award; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program at LLNL [12-SI-005] FX We thank Liam Stanton and Nir Goldman for helpful discussions. H.D. Whitley is grateful to the DOE for support provided through a PECASE Award. 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. This work was funded by the Laboratory Directed Research and Development Program at LLNL under tracking code No. 12-SI-005. NR 45 TC 3 Z9 3 U1 4 U2 24 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0863-1042 EI 1521-3986 J9 CONTRIB PLASM PHYS JI Contrib. Plasma Phys. PD MAY PY 2015 VL 55 IS 5 BP 390 EP 398 DI 10.1002/ctpp.201400101 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CI0FL UT WOS:000354412000007 ER PT J AU Whitley, HD Alley, WE Cabot, WH Castor, JI Nilsen, J DeWitt, HE AF Whitley, H. D. Alley, W. E. Cabot, W. H. Castor, J. I. Nilsen, J. DeWitt, H. E. TI Localization and Screening Enhancement in Asymmetric Binary Ionic Mixtures SO CONTRIBUTIONS TO PLASMA PHYSICS LA English DT Article; Proceedings Paper CT International Conference on Strongly Coupled Coulomb Systems (SCCS) CY JUN 27-AUG 01, 2014 CL Santa Fe, NM DE Equation of state; strongly coupled Coulomb systems; binary ionic mixture ID ONE-COMPONENT-PLASMA; EQUATION-OF-STATE; MOLECULAR-DYNAMICS SIMULATIONS; MONTE-CARLO CALCULATIONS; NUCLEAR-REACTION RATES; DENSE STELLAR MATTER; LORENTZ GAS; PYCNONUCLEAR REACTIONS; DIFFUSION-COEFFICIENT; NONANALYTIC DENSITY AB The equation of state of binary ionic mixtures of similar ions, such as nitrogen, oxygen and carbon, has been extensively studied. The study of dense asymmetric mixtures, where Z(2) >> Z(1), has primarily focused on mixtures of hydrogen and iron at solar conditions. Using molecular dynamics simulations, we examine the behavior of highly asymmetric binary ionic mixtures, where the coupling of the high-Z species may be orders of magnitude higher than the coupling of the low-Z species. For the conditions we have studied, we find that strong correlations and signatures of solidification occur in the high-Z species, while the low-Z species exists as a freely flowing fluid within the high-Z solid matrix. Solidification of the low-Z species is correlated with the coupling between the two components. Using the Widom expansion method, we compute the plasma screening enhancement of the nuclear reaction rates for Z = 1 in a high-Z matrix. We also provide some estimates of the coefficient of binary diffusion in the mixture. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Whitley, H. D.; Alley, W. E.; Cabot, W. H.; Castor, J. I.; Nilsen, J.; DeWitt, H. E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Whitley, HD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM heather@llnl.gov OI Whitley, Heather/0000-0002-2344-8698 FU DOE through a PECASE Award; Laboratory Directed Research and Development Program at LLNL [12-SI-005]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We thank Abraham Szoke, Robert Rudd, Jeff Greenough, Jon Belof, Jonathan DuBois, Tomorr Haxhimali, Michael Murillo, Liam Stanton, Frank Graziani, and Kim Molvig for helpful discussions. We are grateful to Jerome Daligault for enabling early work on this project by providing his MD code to H.E. DeWitt. H.D. Whitley is grateful to the DOE for support provided through a PECASE Award. This study was enabled by enhancements to the ddcMD code developed as part of the Cimarron Project, which was funded by the Laboratory Directed Research and Development Program at LLNL under tracking code No. 12-SI-005. 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 71 TC 1 Z9 1 U1 2 U2 6 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0863-1042 EI 1521-3986 J9 CONTRIB PLASM PHYS JI Contrib. Plasma Phys. PD MAY PY 2015 VL 55 IS 5 BP 413 EP 420 DI 10.1002/ctpp.201400106 PG 8 WC Physics, Fluids & Plasmas SC Physics GA CI0FL UT WOS:000354412000010 ER PT J AU Godinho, JRA Stack, AG AF Godinho, Jose R. A. Stack, Andrew G. TI Growth Kinetics and Morphology of Barite Crystals Derived from Face-Specific Growth Rates SO CRYSTAL GROWTH & DESIGN LA English DT Article ID ATOMIC-FORCE MICROSCOPY; MOLECULAR-SCALE; SURFACE-PROPERTIES; DISSOLUTION RATES; AQUEOUS-SOLUTION; WATER INTERFACE; CALCITE GROWTH; SOLID-SOLUTION; WASTE-WATER; STEP-GROWTH AB We investigate the growth kinetics and morphology of barite (BaSO4) crystals by measuring the growth rates of the (001), (210), (010), and (100) surfaces using vertical scanning interferometry. Solutions with saturation indices 1.1, 2.1, and 3.0 without additional electrolyte, in 0.7 M NaCl, or in 1.3 mM SrCl2 are investigated. Face-specific growth rates are inhibited in the SrCl2 solution relative to a solution without electrolyte, except for (100). Contrarily, growth of all faces is promoted in the NaCl solution. The variation of face-specific rates is solution-specific, which leads to a. change of the crystal morphology and overall growth rate of crystals. The measured face-specific growth rates are used to model the growth of single crystals. Modeled crystals have a morphology and size similar to those grown from solution. Based on the model the time dependence of surface area and growth rates is analyzed. Growth rates change with time due to surface area normalization for small crystals and large growth intervals. By extrapolating rates to crystals with large surfaces areas, time-independent growth rates are 0.783, 2.96, and 0.513 mmol.m(-2).h(-1), for saturation index 2.1 solutions without additional electrolyte, NaCl, and SrCl2, respectively. C1 [Godinho, Jose R. A.; Stack, Andrew G.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Godinho, JRA (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008,MS 6110, Oak Ridge, TN 37831 USA. EM godinhojra@ornl.gov FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division FX This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. We acknowledge Jun Qu for access to the VSI instrument. NR 59 TC 10 Z9 10 U1 7 U2 40 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 MAY PY 2015 VL 15 IS 5 BP 2064 EP 2071 DI 10.1021/cg501507p PG 8 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CH9EK UT WOS:000354338600004 ER PT J AU Buja, F Kokorian, J Sumant, AV van Spengen, WM AF Buja, Federico Kokorian, Jaap Sumant, Anirudha V. van Spengen, W. Merlijn TI Studies on measuring surface adhesion between sidewalls in boron doped ultrananocrystalline diamond based microelectromechanical devices SO DIAMOND AND RELATED MATERIALS LA English DT Article DE Ultrananocrystalline; Diamond; MEMS; Adhesion; Sidewalls ID THIN-FILMS; MEMS; MEMS/NEMS; NANOTRIBOLOGY; COATINGS; HYDROGEN; CONTACT; FORCE; NANO AB In this study, we have investigated the adhesion phenomena between two sidewalls in boron-doped ultrananocrystalline diamond (B-UNCD) micro-electro mechanical systems (MEMS) in a humid and dry environment. We have developed and built B-UNCD MEMS test devices, in order to assess the tribological properties of diamond micro devices in-situ. Using these devices, we have been able to measure the adhesion force with approximately 15 nN resolution, by monitoring the displacement optically with a precision of 4 nm. In the case of testing in a dry atmosphere, virtually no adhesion (<18 nN) was observed between the sidewalls. After testing in humid air over 55,000 cycles, increased adhesion force up to 128 nN was measured. A rare observation of capillary neck formation between sidewalls at high contact force, in humid air is observed which is most probably caused by the precipitation of carbon contamination. This contamination layer can be easily removed by oxygen plasma exposure but thereafter highest adhesion force of 260 nN adhesive force was measured. Our studies demonstrate that micromechanical devices fabricated based on diamond represent a great alternative over polysilicon based devices in terms of reduced adhesion and thus long term reliability, which is a significant step forward in developing diamond based MEMS. (C) 2015 Elsevier B.V. All rights reserved. C1 [Buja, Federico; Kokorian, Jaap; van Spengen, W. Merlijn] Delft Univ Technol, Delft, Netherlands. [Sumant, Anirudha V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [van Spengen, W. Merlijn] Falco Syst, Amsterdam, Netherlands. RP Buja, F (reprint author), Delft Univ Technol, Delft, Netherlands. EM f.buja@tudelft.nl RI Kokorian, Jaap/G-4625-2015 OI Kokorian, Jaap/0000-0001-9147-5869 FU Dutch Funding Agency NWO-STW in the 'vidi' program [10771]; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was sponsored by the Dutch Funding Agency NWO-STW in the 'vidi' program under Ref No. 10771. Use of the Center for Nanoscale Materials was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 43 TC 4 Z9 5 U1 2 U2 21 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 EI 1879-0062 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD MAY PY 2015 VL 55 BP 22 EP 31 DI 10.1016/j.diamond.2015.02.008 PG 10 WC Materials Science, Multidisciplinary SC Materials Science GA CI2OA UT WOS:000354585700004 ER PT J AU Choi, TA Endsley, AN Bunin, DI Colas, C An, DD Morales-Rivera, JA Villalobos, JA Shinn, WM Dabbs, JE Chang, PY Abergel, RJ AF Choi, Taylor A. Endsley, Aaron N. Bunin, Deborah I. Colas, Christophe An, Dahlia D. Morales-Rivera, Joel A. Villalobos, Jonathan A. Shinn, Walter M. Dabbs, Jack E. Chang, Polly Y. Abergel, Rebecca J. TI Biodistribution of the Multidentate Hydroxypyridinonate Ligand [C-14]-3,4,3-LI(1,2-HOPO), a Potent Actinide Decorporation Agent SO DRUG DEVELOPMENT RESEARCH LA English DT Article DE 3; 4; 3-LI(1; 2-HOPO); actinide decorporation; biodistribution; pharmacokinetics; metabolite ID EFFICACY; CHELATORS; 3,4,3-LI(1,2-HOPO); PERMEABILITY; SOLUBILITY AB The pharmacokinetics and biodistribution of the C-14-labeled actinide decorporation agent 3,4,3-LI(1,2-HOPO) were investigated in young adult Swiss Webster mice and Sprague Dawley rats, after intravenous, intraperitoneal, and oral dose administration. In all routes investigated, the radiolabeled compound was rapidly distributed to various tissues and organs of the body. In mice, the 24 h fecal elimination profiles suggested that the biliary route is the predominant route of elimination. In contrast, lower fecal excretion levels were observed in rats. Tissue uptake and retention of the compound did not differ significantly between sexes although some differences were observed in the excretion patterns over time. The male mice eliminated a greater percentage of C-14 through the renal pathway than the female mice after receiving an intravenous or intraperitoneal dose, while the opposite trend was seen in rats that received an intravenous dose. Metabolite profiling performed on selected rat samples demonstrated that a putative major metabolite of [C-14]-3,4,3-LI(1,2-HOPO) is formed, accounting for approximately 10% of an administered oral dose. Finally, to improve its oral bioavailability, 3,4,3-LI(1,2-HOPO) was coformulated with a proprietary permeability enhancer, leading to a notable increase in oral bioavailability of the compound. Drug Dev Res 73 : 107-122, 2015. (c) 2015 Wiley Periodicals, Inc. C1 [Choi, Taylor A.; An, Dahlia D.; Morales-Rivera, Joel A.; Villalobos, Jonathan A.; Abergel, Rebecca J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Endsley, Aaron N.; Bunin, Deborah I.; Colas, Christophe; Shinn, Walter M.; Dabbs, Jack E.; Chang, Polly Y.] SRI Int, Biosci Div, Menlo Pk, CA 94025 USA. RP Abergel, RJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM rjabergel@lbl.gov FU National Institutes of Health/National Institute of Allergy and Infectious Diseases Medical Countermeasures Against Radiological Threats (MCART) Consortium through the US Department of Energy [HHSN272201000046C, DE-AC02-05CH11231] FX This work was supported by the National Institutes of Health/National Institute of Allergy and Infectious Diseases Medical Countermeasures Against Radiological Threats (MCART) Consortium (Contract #HHSN272201000046C to the University of Maryland School of Medicine), through the US Department of Energy under Contract #DE-AC02-05CH11231. NR 20 TC 1 Z9 1 U1 3 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0272-4391 EI 1098-2299 J9 DRUG DEVELOP RES JI Drug Dev. Res. PD MAY PY 2015 VL 76 IS 3 BP 107 EP 122 DI 10.1002/ddr.21246 PG 16 WC Chemistry, Medicinal; Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA CI1YM UT WOS:000354541100001 PM 25857483 ER PT J AU Cullinan, VI Matzner, S Duberstein, CA AF Cullinan, Valerie I. Matzner, Shari Duberstein, Corey A. TI Classification of birds and bats using flight tracks SO ECOLOGICAL INFORMATICS LA English DT Article DE Birds; Bats; Automated classification; Offshore wind energy; Thermal video ID WINGBEAT FREQUENCY; RADAR; COLLISIONS; CAMERA; SEA AB Classification of birds and bats that use areas targeted for offshore wind farm development is essential to evaluating the potential effects of development. The current approach to assessing the number and distribution of birds at sea is transect-surveys conducted by trained individuals in boats or planes, or analysis of imagery collected from aerial surveys. These methods can be costly and pose safety concerns so that observation times are limited to daylight hours and fair weather. We propose an alternative method based on analysis of thermal video that could be recorded autonomously. We present a framework for building models to classify birds and bats and their associated behaviors from their flight tracks. As an example, we developed a discriminant model for theoretical flight paths and applied it to data (N = 64 tracks) extracted from 5-minute video clips. The agreement between model- and observer-classified path types was initially only 41%, but it increased to 73% when small-scale jitter was censored and the number of different path types was reduced. Classification of 46 tracks of bats, swallows, gulls, and terns on average was 82% accurate, based on a jackknife cross-validation. Model classification of gulls and swallows (N 18) was on average 73% and 85% correct, respectively. Model classification of bats and terns (N = 4 and 2, respectively) was 94% and 91% correct, respectively; however, the variance associated with the tracks from these targets is poorly estimated. The models developed here should be considered preliminary because they are based on a small data set both in terms of the numbers of species and the identified flight tracks. Future classification models could be improved if the distance between the camera and the target was known. (C) 2015 Elsevier B.V. All rights reserved. C1 [Cullinan, Valerie I.; Matzner, Shari] Pacific NW Natl Lab, Marine Sci Lab, Sequim, WA 98382 USA. [Duberstein, Corey A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Cullinan, VI (reprint author), Pacific NW Natl Lab, Marine Sci Lab, 1529 W Sequim Bay Rd, Sequim, WA 98382 USA. EM Valerie.cullinan@pnnl.gov; Shari.Matzner@pnnl.gov; corey.duberstein@pnnl.gov FU Wind Power Technology Office within the U.S. Department of Energy-Office of Energy Efficiency and Renewable Energy; Water Power Technology Office within the U.S. Department of Energy-Office of Energy Efficiency and Renewable Energy FX This research was funded by the Wind and Water Power Technologies Office within the U.S. Department of Energy-Office of Energy Efficiency and Renewable Energy. This funding source is not responsible for the content or design of this study. NR 37 TC 3 Z9 3 U1 12 U2 37 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-9541 EI 1878-0512 J9 ECOL INFORM JI Ecol. Inform. PD MAY PY 2015 VL 27 BP 55 EP 63 DI 10.1016/j.ecoinf.2015.03.004 PG 9 WC Ecology SC Environmental Sciences & Ecology GA CI2MK UT WOS:000354581500007 ER PT J AU Chagneau, A Tournassat, C Steefel, CI Bourg, IC Gaboreau, S Esteve, I Kupcik, T Claret, F Schafer, T AF Chagneau, Aurelie Tournassat, Christophe Steefel, Carl I. Bourg, Ian C. Gaboreau, Stephane Esteve, Imene Kupcik, Tomas Claret, Francis Schaefer, Thorsten TI Complete Restriction of Cl-36(-) Diffusion by Celestite Precipitation in Densely Compacted Illite SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS LA English DT Article ID MOLECULAR-DYNAMICS; ANION-EXCLUSION; MONTMORILLONITE; BENTONITES AB Industrial companies and public waste management agencies envision clay-rich materials as efficient barriers for large-scale confinement of nuclear waste and subsurface CO2. In clays, small pores hinder water flow and make diffusion the dominant solute-transport mechanism. Most clay mineral structures exhibit a negative charge that is balanced by an electrical double layer at the mineral water interface. This clay mineral property delays cation migration through adsorption processes, decreases the accessible porosity and diffusion fluxes for anions compared to those of water and cations, and gives rise to semipermeable membrane properties. Here we present experimental data that demonstrate for the first time that anions can be completely excluded from the smallest pores within a compacted illitic clay material, an observation that has important implications for the ability to accurately predict the containment capacity of clay-based barriers. In a series of multitracer diffusion experiments, celestite (SrSO4) precipitation reduced the porosity of compacted illite to the point where the water tracer diffusion flux decreased by half, while the chloride diffusion flux decreased to zero. This result demonstrates that anions can be completely excluded from the smallest pores within a compacted clay material. C1 [Chagneau, Aurelie; Kupcik, Tomas; Schaefer, Thorsten] Karlsruhe Inst Technol, Inst Nucl Waste Disposal INE, D-76021 Karlsruhe, Germany. [Chagneau, Aurelie; Schaefer, Thorsten] Free Univ Berlin, Dept Earth Sci, D-12249 Berlin, Germany. [Chagneau, Aurelie; Tournassat, Christophe; Gaboreau, Stephane; Claret, Francis] Bur Rech Geol & Minieres, French Geol Survey, Water Environm & Ecotechnol Div, F-45060 Orleans 2, France. [Tournassat, Christophe; Steefel, Carl I.; Bourg, Ian C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Bourg, Ian C.] Princeton Univ, Dept Civil & Environm Engn CEE, Princeton, NJ 08544 USA. [Bourg, Ian C.] Princeton Univ, Princeton Environm Inst, Princeton, NJ 08544 USA. [Esteve, Imene] Univ Jussieu, Inst Mineral & Phys Milieux Condenses, UMR CNRS UPMC IRD 7590, F-75252 Paris, France. RP Tournassat, C (reprint author), Bur Rech Geol & Minieres, SVP D3E, 3 Ave Claude Guillemin, F-45060 Orleans 2, France. EM c.tournassat@brgm.fr RI Steefel, Carl/B-7758-2010; Claret, Francis/A-1232-2010; Schafer, Thorsten /A-1258-2010; Tournassat, Christophe/A-1353-2010; Chagneau, Aurelie/I-4065-2016 OI Claret, Francis/0000-0002-6203-7795; Schafer, Thorsten /0000-0002-7133-8717; Tournassat, Christophe/0000-0003-2379-431X; FU European Union [249624]; French ANR SIMISOL project; Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; L'Institut Carnot BRGM FX The results presented in this article were collected during the GL-Transfer Project granted by Andra within the framework of the Andra/BRGM scientific partnership. The research conducted at INE leading to these results has received co-funding from the European Union's European Atomic Energy Community's (Euratom) 7th Framework Programme FP7/2007-2011 under Grant no249624 (CATCLAY project), and from the French ANR SIMISOL project. This work 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 DE-AC02-05CH11231. C.T. acknowledges funding from "L'Institut Carnot BRGM" for his visit to the Lawrence Berkeley National Laboratory. NR 18 TC 4 Z9 4 U1 8 U2 45 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2328-8930 J9 ENVIRON SCI TECH LET JI Environ. Sci. Technol. Lett. PD MAY PY 2015 VL 2 IS 5 BP 139 EP 143 DI 10.1021/acs.estlett.5b00080 PG 5 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA CI3OP UT WOS:000354657400002 ER PT J AU Lin, H Lu, X Liang, LY Gu, BH AF Lin, Hui Lu, Xia Liang, Liyuan Gu, Baohua TI Cysteine Inhibits Mercury Methylation by Geobacter sulfurreducens PCA Mutant Delta omcBESTZ SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS LA English DT Article ID DISSOLVED ELEMENTAL MERCURY; PRINCIPAL METHYLATORS; ANAEROBIC-BACTERIA; ORGANIC-MATTER; CELL-SURFACE; REDUCTION; OXIDATION; METHYLMERCURY; ENVIRONMENTS; COMPLEXES AB Cysteine enhances Hg uptake and methylation by the Geobacter sulfurreducens PCA wild-type (WT) strain in short-term assays. The prevalence of this enhancement in other strains remains poorly understood. We examined the influence of cysteine concentration on time-dependent Hg(II) reduction, sorption, and methylation by PCA WT and its c-type 2 I cytochrome-deficient mutant (Delta omcBESTZ) in phosphate-buffered saline. Without cysteine, the mutant methylated twice as much Hg(II) as the PCA WT, whereas addition of cysteine inhibited Hg methylation, regardless of the reaction time. PCA WT, however, exhibited both time-dependent and cysteine 100 1000 3 concentration-dependent methylation. In a 144 h assay, nearly complete sorption of the Hg(II) by PCA WT occurred in the presence of 1 mM cysteine, resulting in our highest observed level of methylmercury production. The chemical speciation modeling and experimental data suggest that uncharged Hg(II) species are more readily taken up and that this uptake is kinetically limiting, thereby affecting Hg methylation by both the mutant and WT. C1 [Lin, Hui; Lu, Xia; Liang, Liyuan; Gu, Baohua] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Gu, BH (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM gub1@ornl.gov RI Gu, Baohua/B-9511-2012 OI Gu, Baohua/0000-0002-7299-2956 FU Office of Biological and Environmental Research, Office of Science, DOE, as part of the Mercury Science Focus Area at ORNL; DOE [DE-AC05-00OR22725] FX We thank D. R Lovley and colleagues at the University of Massachusetts (Amherst, MA) for kindly providing the Delta omcBESTZ mutant strain and Xiangping Yin at Oak Ridge National Laboratory (ORNL) for technical assistance in mercury and methylmercury analyses. The 200Hg isotope used in this research was supplied by the U.S. Department of Energy (DOE) Office of Science, the Isotope Program in the Office of Nuclear Physics. This research was sponsored by the Office of Biological and Environmental Research, Office of Science, DOE, as part of the Mercury Science Focus Area at ORNL, which is managed by UT-Battelle LLC for the DOE under Contract DE-AC05-00OR22725. NR 26 TC 5 Z9 5 U1 2 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2328-8930 J9 ENVIRON SCI TECH LET JI Environ. Sci. Technol. Lett. PD MAY PY 2015 VL 2 IS 5 BP 144 EP 148 DI 10.1021/acs.estlett.5b00068 PG 5 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA CI3OP UT WOS:000354657400003 ER PT J AU Wu, JJ Zou, BS AF Wu, Jia-Jun Zou, Bing-Song TI Hyperon Production from Neutrino-Nucleon Reaction SO FEW-BODY SYSTEMS LA English DT Article ID RELATIVISTIC QUARK-MODEL; ENERGY ANTINEUTRINO INTERACTIONS; WEAK PRODUCTION; BETA-DECAY; STRANGE PARTICLES; CHIRAL DYNAMICS; SCATTERING; LAMBDA; RESONANCES; PROTONS AB The neutrino induced hyperon production processes may provide a unique clean place for studying low energy interaction and hyperon resonances below KN threshold. The production rates for some neutrino induced hyperon production processes are estimated with theoretical models. Suggestions are made for the study of hyperon production from neutrino-nucleon reaction at present and future neutrino facilities. C1 [Wu, Jia-Jun] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Zou, Bing-Song] Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China. [Zou, Bing-Song] Chinese Acad Sci, Inst High Energy Phys, Theoret Phys Ctr Sci Facil, Beijing 100049, Peoples R China. RP Wu, JJ (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM wujiajun@ihep.ac.cn; zoubs@ihep.ac.cn FU National Natural Science Foundation of China [11035006, 11121092, 11261130311]; DFG [CRC110]; NSFC; Chinese Academy of Sciences [KJCX2-EW-N01]; Ministry of Science and Technology of China [2009CB825200]; U.S. Department of Energy, Office of Nuclear Physics Division [DE-AC02-06CH11357] FX We thank Wen-Long Zhan, Hu-Shan Xu, T.-S. Harry Lee, T. Sato, Chun-Sheng An and Zi-Du Lin for useful discussions. This work is supported in part by the National Natural Science Foundation of China under Grant 11035006, 11121092, 11261130311 (CRC110 by DFG and NSFC), the Chinese Academy of Sciences under Project No. KJCX2-EW-N01 and the Ministry of Science and Technology of China (2009CB825200). This work is also supported by the U.S. Department of Energy, Office of Nuclear Physics Division, under Contract No. DE-AC02-06CH11357. NR 55 TC 2 Z9 2 U1 1 U2 2 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0177-7963 EI 1432-5411 J9 FEW-BODY SYST JI Few-Body Syst. PD MAY PY 2015 VL 56 IS 4-5 BP 165 EP 183 DI 10.1007/s00601-015-0973-0 PG 19 WC Physics, Multidisciplinary SC Physics GA CI1JF UT WOS:000354499600003 ER PT J AU Son, SB Kappes, B Ban, CM AF Son, Seoung-Bum Kappes, Branden Ban, Chunmei TI Surface Modification of Silicon Anodes for Durable and High-Energy Lithium-Ion Batteries SO ISRAEL JOURNAL OF CHEMISTRY LA English DT Review DE Li-ion battery; molecular layer deposition; Si anode; silicon; surface chemistry ID CARBON-COATED SILICON; HIGH-CAPACITY ANODES; NEGATIVE ELECTRODE MATERIALS; AMORPHOUS-SILICON; NANOSTRUCTURED SILICON; RECHARGEABLE BATTERIES; COMPOSITE ANODES; NANOCOMPOSITE ANODES; SECONDARY BATTERIES; STRUCTURAL-CHANGES AB Carbonaceous materials have dominated lithium-ion battery anodes since their discovery in 1972. Materials and design challenges have prevented the move to silicon-based anodes, despite their significantly higher specific energies. Morphological design motifs have focused on minimizing the structural instabilities that arise during lithium insertion and removal, which are themselves the subject of numerous articles and reviews. This review focuses on surface modification techniques that have been developed to minimize volume expansion, stabilize the surface of silicon against electrical isolation following pulverization, and improve the electronic and ionic conductivities of silicon anodes during operation and cycling. C1 [Son, Seoung-Bum; Ban, Chunmei] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. [Kappes, Branden] Colorado Sch Mines, Dept Mech Engn, Golden, CO 80401 USA. RP Ban, CM (reprint author), Natl Renewable Energy Lab, Chem & Mat Sci Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM chunmei.ban@nrel.gov RI Son, Seoung-Bum/C-6783-2014 FU Office of Vehicle Technologies of the U.S. Department of Energy under the Batteries for Advanced Transportation Technologies (BATT) Program [DE-AC02-05CH11231, DE-AC-36-08GO28308]; United States National Science Foundation CI-TraCS program [OCI-1048586] FX This work at NREL was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, Sub-contract No. DE-AC-36-08GO28308 under the Batteries for Advanced Transportation Technologies (BATT) Program. One author (BK) was supported by the United States National Science Foundation CI-TraCS program under grant no. OCI-1048586. NR 91 TC 4 Z9 4 U1 18 U2 168 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0021-2148 EI 1869-5868 J9 ISR J CHEM JI Isr. J. Chem. PD MAY PY 2015 VL 55 IS 5 SI SI BP 558 EP 569 DI 10.1002/ijch.201400173 PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA CI0GR UT WOS:000354415600008 ER PT J AU Banta, RM Pichugina, YL Brewer, WA Lundquist, JK Kelley, ND Sandberg, SP Alvarez, RJ Hardesty, RM Weickmann, AM AF Banta, Robert M. Pichugina, Yelena L. Brewer, W. Alan Lundquist, Julie K. Kelley, Neil D. Sandberg, Scott P. Alvarez, Raul J., II Hardesty, R. Michael Weickmann, Ann M. TI 3D Volumetric Analysis of Wind Turbine Wake Properties in the Atmosphere Using High-Resolution Doppler Lidar SO JOURNAL OF ATMOSPHERIC AND OCEANIC TECHNOLOGY LA English DT Article ID STABLE-BOUNDARY-LAYER; LOW-LEVEL JET; COMPLEX TERRAIN; PROFILE; ENERGY; FLOW; DISPERSION; VELOCITY; SYSTEM; SPEED AB Wind turbine wakes in the atmosphere are three-dimensional (3D) and time dependent. An important question is how best to measure atmospheric wake properties, both for characterizing these properties observationally and for verification of numerical, conceptual, and physical (e.g., wind tunnel) models of wakes. Here a scanning, pulsed, coherent Doppler lidar is used to sample a turbine wake using 3D volume scan patterns that envelop the wake and simultaneously measure the inflow profile. The volume data are analyzed for quantities of interest, such as peak velocity deficit, downwind variability of the deficit, and downwind extent of the wake, in a manner that preserves the measured data. For the case study presented here, in which the wake was well defined in the lidar data, peak deficits of up to 80% were measured 0.6-2 rotor diameters (D) downwind of the turbine, and the wakes extended more than 11D downwind. Temporal wake variability over periods of minutes and the effects of atmospheric gusts and lulls in the inflow are demonstrated in the analysis. Lidar scanning trade-offs important to ensuring that the wake quantities of interest are adequately sampled by the scan pattern, including scan coverage, number of scans per volume, data resolution, and scan-cycle repeat interval, are discussed. C1 [Banta, Robert M.; Pichugina, Yelena L.; Brewer, W. Alan; Sandberg, Scott P.; Alvarez, Raul J., II] NOAA, ESRL, Boulder, CO 80305 USA. [Pichugina, Yelena L.; Hardesty, R. Michael; Weickmann, Ann M.] Univ Colorado, NOAA, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Lundquist, Julie K.] Univ Colorado, Boulder, CO 80309 USA. [Lundquist, Julie K.] Natl Renewable Energy Lab, Golden, CO USA. RP Banta, RM (reprint author), NOAA, ESRL, 325 Broadway, Boulder, CO 80305 USA. EM robert.banta@noaa.gov RI Banta, Robert/B-8361-2008; Manager, CSD Publications/B-2789-2015 FU U.S. Department of Energy's Wind and Hydropower Technologies program, under Office of Energy Efficiency and Renewable Energy [DE-NA0000900] FX We thank the turbine manufacturer's staff for its facilitation of observational periods and Matthew Aitken for his thoughtful manuscript review. This work was sponsored by the U.S. Department of Energy's Wind and Hydropower Technologies program, under the direction of the Office of Energy Efficiency and Renewable Energy (Interagency Agreement DE-NA0000900). NR 47 TC 7 Z9 7 U1 2 U2 26 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0739-0572 EI 1520-0426 J9 J ATMOS OCEAN TECH JI J. Atmos. Ocean. Technol. PD MAY PY 2015 VL 32 IS 5 BP 904 EP 914 DI 10.1175/JTECH-D-14-00078.1 PG 11 WC Engineering, Ocean; Meteorology & Atmospheric Sciences SC Engineering; Meteorology & Atmospheric Sciences GA CI5DF UT WOS:000354772400003 ER PT J AU Ravel, B Carr, GL Hauzenberger, CA Klysubun, W AF Ravel, Bruce Carr, G. L. Hauzenberger, Christoph A. Klysubun, Wantana TI X-ray and optical spectroscopic study of the coloration of red glass used in 19th century decorative mosaics at the Temple of the Emerald Buddha SO JOURNAL OF CULTURAL HERITAGE LA English DT Article DE XAFS; Colloidal gold; Decorative glass ID ABSORPTION SPECTROSCOPY; GOLD NANOPARTICLES; METALLIC-FILMS; RUBY GLASS; PERFORMANCE; COLORS; COPPER; ATHENA; EXAFS AB The Temple of the Emerald Buddha in Bangkok, Thailand is noted for its glass mosaic decorations on exterior walls and statuary. The original mosaic artwork dates to the early 19th century and is composed of variously-colored, mirrored glass pieces. In this work, we examine the chemical composition and optical properties of the red glass manufactured at that time. Through the use of X-ray and optical spectroscopies, we demonstrate evidence that the 19th century craftsmen produced "ruby-gold" glass, wherein the red coloration is caused by the dispersal of nanoscale metallic gold particles throughout the glass matrix. Published by Elsevier Masson SAS. C1 [Ravel, Bruce] NIST, Gaithersburg, MD 20899 USA. [Carr, G. L.] Brookhaven Natl Lab, Photon Sci, Upton, NY 11973 USA. [Hauzenberger, Christoph A.] Karl Franzens Univ Graz, A-8010 Graz, Austria. [Klysubun, Wantana] Synchrotron Light Res Inst, Nakhon Ratchasima 30000, Thailand. RP Ravel, B (reprint author), NIST, Gaithersburg, MD 20899 USA. EM bravel@bnl.gov FU Synchrotron Light Research Institute; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX Samples of glass from the Temple of the Emerald Buddha were provided by Thailand's Bureau of the Royal Household under the permission of Her Royal Highness Maha Chakri Sirindhorn. This work was financially supported in part by the Synchrotron Light Research Institute (Public Organization). 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. NR 34 TC 1 Z9 1 U1 2 U2 15 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 1296-2074 EI 1778-3674 J9 J CULT HERIT JI J. Cult. Herit. PD MAY-JUN PY 2015 VL 16 IS 3 BP 315 EP 321 DI 10.1016/j.culher.2014.06.001 PG 7 WC Archaeology; Art; Chemistry, Analytical; Geosciences, Multidisciplinary; Materials Science, Multidisciplinary; Spectroscopy SC Archaeology; Art; Chemistry; Geology; Materials Science; Spectroscopy GA CI1ZH UT WOS:000354543400008 ER PT J AU Agapov, RL Scherger, JD Sokolov, AP Foster, MD AF Agapov, Rebecca L. Scherger, Jacob D. Sokolov, Alexei P. Foster, Mark D. TI Identification of individual isotopes in a polymer blend using tip enhanced Raman spectroscopy SO JOURNAL OF RAMAN SPECTROSCOPY LA English DT Article DE tip enhanced Raman spectroscopy; protected plasmonics; isotopic identification; polymer blend; chemical sensing ID SINGLE-MOLECULE; TERS PROBES; SCATTERING; SERS; BLINKING; FIELD; NANOPARTICLES; FLUORESCENCE AB For the first time, tip enhanced Raman spectroscopy (TERS) blinking measurements are used to identify the individual isotopes of non-Raman resonant polystyrene in a miscible, binary blend. This demonstrates the sensitivity and selectivity required for nanoscale chemical imaging and broadens the types of surface components potentially identifiable with TERS. Copyright (c) 2015 John Wiley & Sons, Ltd. C1 [Agapov, Rebecca L.; Scherger, Jacob D.; Foster, Mark D.] Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA. [Sokolov, Alexei P.] Univ Tennessee, Div Chem Sci, ORNL, Knoxville, TN USA. [Sokolov, Alexei P.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Foster, MD (reprint author), Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA. EM mfoster@uakron.edu FU U.S. Army Research Laboratory; U.S. Army Research Office [W911NF-09-1-0424]; DURIP [W911NF-10-1-3167] FX This material is based upon work supported by, or in part by, the U.S. Army Research Laboratory and the U.S. Army Research Office under grant number W911NF-09-1-0424 and DURIP grant number W911NF-10-1-3167. The authors gratefully acknowledge Dr. Edward Evans for assistance with physical vapor depositions. NR 32 TC 2 Z9 2 U1 4 U2 29 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0377-0486 EI 1097-4555 J9 J RAMAN SPECTROSC JI J. Raman Spectrosc. PD MAY PY 2015 VL 46 IS 5 BP 447 EP 450 DI 10.1002/jrs.4671 PG 4 WC Spectroscopy SC Spectroscopy GA CI1IJ UT WOS:000354496900004 ER PT J AU Dehoff, RR Kirka, MM Sames, WJ Bilheux, H Tremsin, AS Lowe, LE Babu, SS AF Dehoff, R. R. Kirka, M. M. Sames, W. J. Bilheux, H. Tremsin, A. S. Lowe, L. E. Babu, S. S. TI Site specific control of crystallographic grain orientation through electron beam additive manufacturing SO MATERIALS SCIENCE AND TECHNOLOGY LA English DT Article DE Additive manufacturing; Electron beam melting; Grain control; Nickel base superalloy ID SINGLE-CRYSTAL WELDS; SOLIDIFICATION MICROSTRUCTURES; LASER; TEXTURE; SUPERALLOYS; DIFFRACTION; FABRICATION; DEPOSITION; TI-6AL-4V; BEHAVIOR AB Site specific control of the crystallographic orientation of grains within metal components has been unachievable before the advent of metals additive manufacturing (AM) technologies. To demonstrate the capability, the growth of highly misoriented micron scale grains outlining the letters D, O and E, through the thickness of a 25.4 mm tall bulk block comprised of primarily columnar [001] oriented grains made of the nickel base superalloy Inconel 718 was promoted. To accomplish this, electron beam scan strategies were developed based on principles of columnar to equiaxed transitions during solidification. Through changes in scan strategy, the electron beam heat source can rapidly change between point and line heat source modes to promote steady state and/or transient thermal gradients and liquid/solid interface velocity. With this approach, an equiaxed solidification in the regions bounding the letters D, O and E was achieved. The through thickness existence of the equiaxed grain structure outlining the letters within a highly columnar [001] oriented bulk was confirmed through characterizing the bulk specimen with energy selective neutron radiography and confirming with an electron backscatter detection. Ultimately, this demonstration promotes the ability to build metal components with site specific control on crystallographic orientation of grains using the electron beam melting process. C1 [Dehoff, R. R.; Kirka, M. M.; Sames, W. J.; Lowe, L. E.; Babu, S. S.] Oak Ridge Natl Lab, Mfg Demonstrat Facil, Oak Ridge, TN 37831 USA. [Dehoff, R. R.; Kirka, M. M.; Lowe, L. E.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN USA. [Sames, W. J.] Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA. [Bilheux, H.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN USA. [Tremsin, A. S.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Babu, S. S.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN USA. [Babu, S. S.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN USA. RP Dehoff, RR (reprint author), Oak Ridge Natl Lab, Mfg Demonstrat Facil, Oak Ridge, TN 37831 USA. EM dehoffrr@ornl.gov RI Babu, Sudarsanam/D-1694-2010; Bilheux, Hassina/H-4289-2012; Dehoff, Ryan/I-6735-2016 OI Babu, Sudarsanam/0000-0002-3531-2579; Bilheux, Hassina/0000-0001-8574-2449; Dehoff, Ryan/0000-0001-9456-9633 FU US Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office [DE-AC05-00OR22725]; UT-Battelle, LLC; Scientific User Facility Division, Office of Basic Energy Sciences, US Department of Energy; US Department of Energy, Office of Nuclear Energy, Nuclear Energy University Programs FX Research is sponsored by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. The research conducted at the spallation neutron source was sponsored by the Scientific User Facility Division, Office of Basic Energy Sciences, US Department of Energy. This research was also supported by fellowship funding received from the US Department of Energy, Office of Nuclear Energy, Nuclear Energy University Programs. 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 25 Z9 25 U1 23 U2 110 PU MANEY PUBLISHING PI LEEDS PA STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND SN 0267-0836 EI 1743-2847 J9 MATER SCI TECH-LOND JI Mater. Sci. Technol. PD MAY PY 2015 VL 31 IS 8 BP 931 EP 938 DI 10.1179/1743284714Y.0000000734 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CI1IQ UT WOS:000354497600008 ER PT J AU Dehoff, RR Kirka, MM List, FA Unocic, KA Sames, WJ AF Dehoff, R. R. Kirka, M. M. List, F. A., III Unocic, K. A. Sames, W. J. TI Crystallographic texture engineering through novel melt strategies via electron beam melting: Inconel 718 SO MATERIALS SCIENCE AND TECHNOLOGY LA English DT Article DE Additive manufacturing; Electron beam melting; Texture; Nickel-base superalloy ID SUPERALLOY SINGLE-CRYSTALS; MICROSTRUCTURES; WELDS AB Preliminary research has demonstrated the ability to utilise novel scan strategies in the electron beam melting (EBM) process to establish control of crystallographic texture within Inconel 718 deposits. Conventional EBM scan strategies and process parameters yield coarse columnar grains aligned parallel to the build direction. Through varying process parameters such as beam power, beam velocity, beam focus and scan strategy, the behaviour of the electron beam can be manipulated from a line source to a point source. The net effect of these variations is that the resulting crystallographic texture is controlled in a manner to produce either epitaxial deposits or fully equiaxed deposits. This research demonstrates the ability to change the crystallographic texture on the macroscale indicating that EBM technology can be used to create complex geometric components with both site-specific microstructures and material properties. C1 [Dehoff, R. R.; Kirka, M. M.; List, F. A., III; Sames, W. J.] Oak Ridge Natl Lab, Mfg Demonstrat Facil, Knoxville, TN 37831 USA. [Dehoff, R. R.; Kirka, M. M.; List, F. A., III; Unocic, K. A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Knoxville, TN USA. [Sames, W. J.] Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA. RP Dehoff, RR (reprint author), Oak Ridge Natl Lab, Mfg Demonstrat Facil, Knoxville, TN 37831 USA. EM dehoffrr@ornl.gov RI Dehoff, Ryan/I-6735-2016 OI Dehoff, Ryan/0000-0001-9456-9633 FU US Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office [DE-AC05-00OR22725]; UT-Battelle, LLC; US Department of Energy, Office of Nuclear Energy, Nuclear Energy University Programs FX Research sponsored by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. Additionally this research was supported by fellowship funding provided by the US Department of Energy, Office of Nuclear Energy, Nuclear Energy University Programs. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 17 TC 7 Z9 7 U1 10 U2 46 PU MANEY PUBLISHING PI LEEDS PA STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND SN 0267-0836 EI 1743-2847 J9 MATER SCI TECH-LOND JI Mater. Sci. Technol. PD MAY PY 2015 VL 31 IS 8 BP 939 EP 944 DI 10.1179/1743284714Y.0000000697 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CI1IQ UT WOS:000354497600009 ER PT J AU King, W Anderson, AT Ferencz, RM Hodge, NE Kamath, C Khairallah, SA AF King, W. Anderson, A. T. Ferencz, R. M. Hodge, N. E. Kamath, C. Khairallah, S. A. TI Overview of modelling and simulation of metal powder bed fusion process at Lawrence Livermore National Laboratory SO MATERIALS SCIENCE AND TECHNOLOGY LA English DT Article DE Additive manufacturing; Modelling and simulation; Metal laser powder bed fusion ID MANUFACTURING PROCESSES; RADIATION TRANSFER; HEAT-SOURCES; LASER; FRAMEWORK; PARTS AB The metal laser powder bed fusion additive manufacturing process uses high power lasers to build parts layer upon layer by melting fine metal powders. Qualification of parts produced using this technology is broadly recognised as a significant challenge. Physics based process models have been identified as being foundational to qualification of additively manufactured metal parts. In the present article, a multiscale modelling strategy is described that will serve as the foundation upon which process control and part qualification can be built. This includes a model at the scale of the powder that simulates single track/single multilayer builds and provides powder bed and melt pool thermal data. A second model computationally builds a complete part and predicts manufactured properties (residual stress, dimensional accuracy) in three dimensions. Modelling is tied to experiment through data mining. C1 [King, W.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. [Anderson, A. T.; Ferencz, R. M.; Hodge, N. E.; Khairallah, S. A.] Lawrence Livermore Natl Lab, Engn Directorate, Livermore, CA 94551 USA. [Kamath, C.] Lawrence Livermore Natl Lab, Computat Directorate, Livermore, CA 94551 USA. RP King, W (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. EM weking@llnl.gov FU U.S. Department of Energy by LLNL [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program at LLNL [13-SI-002] FX This work was performed under the auspices of the U.S. Department of Energy by LLNL under contract DE-AC52-07NA27344. This work was funded by the Laboratory Directed Research and Development Program at LLNL under project tracking code 13-SI-002. NR 67 TC 9 Z9 9 U1 18 U2 65 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0267-0836 EI 1743-2847 J9 MATER SCI TECH-LOND JI Mater. Sci. Technol. PD MAY PY 2015 VL 31 IS 8 BP 957 EP 968 DI 10.1179/1743284714Y.0000000728 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CI1IQ UT WOS:000354497600011 ER PT J AU von Neubeck, C Geniza, MJ Mauer, PM Robinson, RJ Chrisler, WB Sowa, MB AF von Neubeck, Claere Geniza, Matthew J. Mauer, Paula M. Robinson, R. Joe Chrisler, William B. Sowa, Marianne B. TI The effect of low dose ionizing radiation on homeostasis and functional integrity in an organotypic human skin model SO MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS LA English DT Article DE 3D skin equivalent; Differentiation profile; Ionizing radiation; Heavy ion; Radiation quality ID ATOPIC-DERMATITIS; KERATINOCYTE DIFFERENTIATION; SPACE EXPLORATION; BARRIER FUNCTION; GENE-EXPRESSION; CANCER; FILAGGRIN; REPOPULATION; RISK; CARCINOGENESIS AB Outside the protection of Earth's atmosphere, astronauts are exposed to low doses of high linear energy transfer (LET) radiation. Future NASA plans for deep space missions or a permanent settlement on the moon are limited by the health risks associated with space radiation exposures. There is a paucity of direct epidemiological data for low dose exposures to space radiation-relevant high LET ions. Health risk models are used to estimate the risk for such exposures, though these models are based on high dose experiments. There is increasing evidence, however, that low and high dose exposures result in different signaling events at the molecular level, and may involve different response mechanisms. Further, despite their low abundance, high LET particles have been identified as the major contributor to health risk during manned space flight. The human skin is exposed in every external radiation scenario, making it an ideal epithelial tissue model in which to study radiation induced effects. Here, we exposed an in vitro three dimensional (3-D) human organotypic skin tissue model to low doses of high LET oxygen (O), silicon (Si) and iron (Fe) ions. We measured proliferation and differentiation profiles in the skin tissue and examined the integrity of the skin's barrier function. We discuss the role of secondary particles in changing the proportion of cells receiving a radiation dose, emphasizing the possible impact on radiation-induced health issues in astronauts. (C) 2015 Elsevier B.V. All rights reserved. C1 [von Neubeck, Claere] Tech Univ Dresden, Fac Med, OncoRay Natl Ctr Radiat Res Oncol, German Canc Consortium DKTK Partner Site Dresden, D-01307 Dresden, Germany. [von Neubeck, Claere] Tech Univ Dresden, Univ Hosp Carl Gustav Carus, D-01307 Dresden, Germany. [von Neubeck, Claere] German Canc Res Ctr, D-69120 Heidelberg, Germany. [Geniza, Matthew J.] Oregon State Univ, Mol & Cellular Biol Program, Corvallis, OR 97331 USA. [Mauer, Paula M.; Robinson, R. Joe; Chrisler, William B.; Sowa, Marianne B.] Pacific NW Natl Lab, Hlth Impacts & Exposure Sci, Richland, WA 99352 USA. RP Sowa, MB (reprint author), Pacific NW Natl Lab, Hlth Impacts & Exposure Sci, Richland, WA 99352 USA. EM marianne.sowa@pnnl.gov FU National Aeronautics and Space Administration [NNX10AB06G]; Biological and Environmental Research Program (BER), U.S. Department of Energy [DE-AC06-76RLO] FX This work was supported by the National Aeronautics and Space Administration [NNX10AB06G]; and the Biological and Environmental Research Program (BER), U.S. Department of Energy [DE-AC06-76RLO]. NR 36 TC 1 Z9 1 U1 4 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0027-5107 EI 1873-135X J9 MUTAT RES-FUND MOL M JI Mutat. Res.-Fundam. Mol. Mech. Mutagen. PD MAY PY 2015 VL 775 BP 10 EP 18 DI 10.1016/j.mrfmmm.2015.03.003 PG 9 WC Biotechnology & Applied Microbiology; Genetics & Heredity; Toxicology SC Biotechnology & Applied Microbiology; Genetics & Heredity; Toxicology GA CI2NS UT WOS:000354584900002 PM 25839759 ER PT J AU Subbaiyan, NK Parra-Vasquez, ANG Cambre, S Cordoba, MAS Yalcin, SE Hamilton, CE Mack, NH Blackburn, JL Doorn, SK Duque, JG AF Subbaiyan, Navaneetha K. Parra-Vasquez, A. Nicholas G. Cambre, Sofie Cordoba, Miguel A. Santiago Yalcin, Sibel Ebru Hamilton, Christopher E. Mack, Nathan H. Blackburn, Jeffrey L. Doorn, Stephen K. Duque, Juan G. TI Bench-top aqueous two-phase extraction of isolated individual single-walled carbon nanotubes SO NANO RESEARCH LA English DT Article DE carbon nanotubes; aqueous two-phase (ATP) separation; aggregate removal; isolation; sorting ID LUMINESCENCE PROPERTIES; RAMAN-SPECTROSCOPY; LENGTH; FILMS; WATER; ULTRACENTRIFUGATION; SOLUBILIZATION; CHROMATOGRAPHY; FRACTIONATION; CONDUCTIVITY AB Isolation and purification of single-walled carbon nanotubes (SWCNTs) are prerequisites for their implementation in various applications. In this work, we present a fast (similar to 5 min), low-cost, and easily scalable bench-top approach to the extraction of high-quality isolated SWCNTs from bundles and impurities in an aqueous dispersion. The extraction procedure, based on aqueous two-phase (ATP) separation, is widely applicable to any SWCNT source (tested on samples up to 1.7 nm in diameter) and independent of defect density, purity, diameter, and length. The extracted dispersions demonstrate that the removal of large aggregates, small bundles, and impurities is comparable to that by density gradient ultracentrifugation, but without the need for high-end instrumentation. Raman and fluorescence-excitation spectroscopy, single-nanotube fluorescence imaging, atomic force and transmission electron microscopy, and thermogravimetric analysis all confirm the high purity of the isolated SWCNTs. By predispersing the SWCNTs without sonication (only gentle stirring), full-length, pristine SWCNTs can be isolated (tested up to 20 mu m). Hence, this simple ATP method will find immediate application in the generation of SWCNT materials for all levels of nanotube research and applications, from fundamental studies to high-performance devices. C1 [Subbaiyan, Navaneetha K.; Parra-Vasquez, A. Nicholas G.; Cambre, Sofie; Cordoba, Miguel A. Santiago; Yalcin, Sibel Ebru; Hamilton, Christopher E.; Mack, Nathan H.; Doorn, Stephen K.; Duque, Juan G.] Los Alamos Natl Lab, Phys Chem & Appl Spect Grp C PCS, Ctr Integrated Nanotechnol CINT, Div Chem, Los Alamos, NM 87544 USA. [Subbaiyan, Navaneetha K.; Parra-Vasquez, A. Nicholas G.; Cambre, Sofie; Cordoba, Miguel A. Santiago; Yalcin, Sibel Ebru; Hamilton, Christopher E.; Mack, Nathan H.; Doorn, Stephen K.; Duque, Juan G.] Los Alamos Natl Lab, Mat Sci & Technol Div MST 7, Los Alamos, NM 87544 USA. [Cambre, Sofie] Univ Antwerp, Expt Condensed Matter Phys Lab, B-2610 Antwerp, Belgium. [Blackburn, Jeffrey L.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Duque, JG (reprint author), Los Alamos Natl Lab, Phys Chem & Appl Spect Grp C PCS, Ctr Integrated Nanotechnol CINT, Div Chem, POB 1663, Los Alamos, NM 87544 USA. EM jduque@lanl.gov RI Cambre, Sofie/P-6277-2014; OI Cambre, Sofie/0000-0001-7471-7678; Subbaiyan, Navaneetha K/0000-0002-5767-4386; Hamilton, Christopher/0000-0002-1605-5992 FU LANL-LDRD program; Fund for Scientific Research Flanders, Belgium (FWO-Vlaanderen); LANL; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (DOE [DE-AC36-08GO28308] FX We thank Kevin Henderson for access to TGA and Wim Wenseleers for helpful discussions. This work was supported by the LANL-LDRD program and was performed in part at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. S. C. gratefully acknowledges the financial support from the Fund for Scientific Research Flanders, Belgium (FWO-Vlaanderen) for providing a postdoctoral fellowship and a mobility grant for visiting the Los Alamos National Laboratory. A. N. G. P. V. gratefully acknowledges support from the LANL Director's Postdoctoral Fellowship. LV SWCNT synthesis was performed at NREL, and was supported by the Solar Photochemistry Program, Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (DOE), Grant No. DE-AC36-08GO28308. NR 45 TC 7 Z9 7 U1 4 U2 60 PU TSINGHUA UNIV PRESS PI BEIJING PA TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA SN 1998-0124 EI 1998-0000 J9 NANO RES JI Nano Res. PD MAY PY 2015 VL 8 IS 5 BP 1755 EP 1769 DI 10.1007/s12274-014-0680-z PG 15 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA CI3CQ UT WOS:000354625600030 ER PT J AU Jo, H Schieve, LA Sharma, AJ Hinkle, SN Li, RW Lind, JN AF Jo, Heejoo Schieve, Laura A. Sharma, Andrea J. Hinkle, Stefanie N. Li, Ruowei Lind, Jennifer N. TI Maternal Prepregnancy Body Mass Index and Child Psychosocial Development at 6 Years of Age SO PEDIATRICS LA English DT Article ID DIFFICULTIES QUESTIONNAIRE; INTELLECTUAL DISABILITY; PSYCHOMETRIC PROPERTIES; COGNITIVE-DEVELOPMENT; WEIGHT-GAIN; PREGNANCY; OBESITY; ASSOCIATIONS; TRENDS; RISK AB BACKGROUND: Both obesity and developmental disabilities have increased in recent decades. Limited studies suggest associations between maternal prepregnancy obesity and child neurodevelopment. METHODS: The Infant Feeding Practices Study II, a US nationally distributed longitudinal study of maternal health and infant health and feeding practices, was conducted from 2005 to 2007. In 2012, mothers were recontacted for information on their children's health and development. We examined associations between maternal prepregnancy BMI and child psychosocial development in 1311 mother-child pairs included in this follow-up study. Children's development was assessed by maternal report of child psychosocial difficulties from the Strengths and Difficulties Questionnaire, past developmental diagnoses, and receipt of special needs services. RESULTS: Adjusting for sociodemographic factors, children of obese class II/III mothers (BMI > 35.0) had increased odds of emotional symptoms (adjusted odds ratio [aOR] 2.24; 95% confidence interval [CI], 1.27-3.98), peer problems (aOR 2.07; 95% CI, 1.26-3.40), total psychosocial difficulties (aOR 2.17; 95% CI, 1.24-3.77), attention-deficit/hyperactivity disorder diagnosis (aOR 4.55; 95% CI, 1.80-11.46), autism or developmental delay diagnosis (aOR 3.13; 95% CI, 1.10-8.94), receipt of speech language therapy (aOR 1.93; 95% CI, 1.18-3.15), receipt of psychological services (aOR 2.27; 95% CI, 1.09-4.73), and receipt of any special needs service (aOR 1.99; 95% CI, 1.33-2.97) compared with children of normal weight mothers (BMI 18.5-24.9). Adjustment for potential causal pathway factors including pregnancy weight gain, gestational diabetes, breastfeeding duration, postpartum depression, and child's birth weight did not substantially affect most estimates. CONCLUSIONS: Children whose mothers were severely obese before pregnancy had increased risk for adverse developmental outcomes. C1 [Jo, Heejoo; Schieve, Laura A.] Ctr Dis Control & Prevent, Div Birth Defects & Dev Disabil, Natl Ctr Birth Defects & Dev Disabil, Atlanta, GA 30333 USA. [Li, Ruowei; Lind, Jennifer N.] Ctr Dis Control & Prevent, Div Nutr Phys Act & Obes, Atlanta, GA 30333 USA. [Lind, Jennifer N.] Ctr Dis Control & Prevent, Epidem Intelligence Serv, Off Surveillance Epidemiol & Lab Serv, Atlanta, GA 30333 USA. [Jo, Heejoo] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Sharma, Andrea J.] Ctr Dis Control, Natl Ctr Chron Dis Prevent & Hlth Promot, Div Reprod Hlth, Atlanta, GA 30333 USA. [Sharma, Andrea J.; Lind, Jennifer N.] US Publ Hlth Serv Commissioned Corps, Atlanta, GA USA. [Hinkle, Stefanie N.] Eunice Kennedy Shriver Natl Inst Child Hlth & Hum, Div Intramural Populat Hlth Res, NIH, Bethesda, MD USA. RP Jo, H (reprint author), Ctr Dis Control & Prevent, Div Birth Defects & Dev Disabil, Natl Ctr Birth Defects & Dev Disabil, 1600 Clifton Rd,MS-E86, Atlanta, GA 30333 USA. EM heejoojo@usc.edu RI Hinkle, Stefanie/F-8253-2013; OI Hinkle, Stefanie/0000-0003-4312-708X; Sharma, Andrea/0000-0003-0385-0011 FU intramural research program of the Eunice Kennedy Shriver National Institute of Child Health and Human Development, National Institutes of Health; National Institutes of Health (NIH) FX Supported in part by the intramural research program of the Eunice Kennedy Shriver National Institute of Child Health and Human Development, National Institutes of Health. Funded by the National Institutes of Health (NIH). NR 42 TC 12 Z9 12 U1 3 U2 21 PU AMER ACAD PEDIATRICS PI ELK GROVE VILLAGE PA 141 NORTH-WEST POINT BLVD,, ELK GROVE VILLAGE, IL 60007-1098 USA SN 0031-4005 EI 1098-4275 J9 PEDIATRICS JI Pediatrics PD MAY PY 2015 VL 135 IS 5 BP E1198 EP E1209 DI 10.1542/peds.2014-3058 PG 12 WC Pediatrics SC Pediatrics GA CH0QX UT WOS:000353728400011 PM 25917989 ER PT J AU Lyons, JL Alkauskas, A Janotti, A de Walle, CGV AF Lyons, John L. Alkauskas, Audrius Janotti, Anderson de Walle, Chris G. Van TI First-principles theory of acceptors in nitride semiconductors SO PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS LA English DT Article; Proceedings Paper CT 8th International Workshop on Nitride Semiconductors(IWN 2014) CY AUG 24-29, 2015 CL Wroclaw, POLAND DE acceptors; doping; first-principles calculations; impurities; luminescence; nitride semiconductors ID CHEMICAL-VAPOR-DEPOSITION; DENSITY-FUNCTIONAL THEORIES; MOLECULAR-BEAM EPITAXY; AUGMENTED-WAVE METHOD; YELLOW LUMINESCENCE; POINT-DEFECTS; NATIVE DEFECTS; GAN FILMS; CARBON; ALN AB Acceptor defects and impurities play a critical role in the performance of GaN-based devices. Mg is the only acceptor impurity that gives rise to p-type conductivity, while other acceptors (such as C-N impurities and V-Ga defects) act as sources of compensation and trapping. From the point of view of theory, understanding the physics of acceptor species in GaN has long been a challenge. In the past, limitations of computational techniques made it difficult to quantitatively predict crucial quantities such as thermodynamic and optical transition levels. However, advances in first-principles calculations, including the use of hybrid functionals in density functional theory, have led to a resurgence in efforts to understand properties of acceptors in nitrides. After briefly discussing advances in theoretical techniques, we review recent computational work on acceptor impurities in GaN and compare theoretical results with the available experimental data. We also present new hybrid density functional calculations on the transition levels of V-Ga and its complexes with O and H impurities. The results indicate that donor impurities significantly lower V-Ga transition levels, and that V-Ga-3H and V-Ga-O-N-2H complexes give rise to yellow luminescence. We also discuss the properties of acceptor impurities in AlN and InN. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Lyons, John L.; Alkauskas, Audrius; Janotti, Anderson; de Walle, Chris G. Van] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Alkauskas, Audrius] Ctr Phys Sci & Technol, LT-01108 Vilnius, Lithuania. RP Lyons, JL (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM jlyons@bnl.gov RI Alkauskas, Audrius/I-3245-2012; OI Alkauskas, Audrius/0000-0002-4228-6612; Lyons, John L./0000-0001-8023-3055 FU ONR DE-FINE MURI [N00014-10-1-0937]; Office of Science of the U.S. Department of Energy [DE-SC0010689]; Center for Low Energy Systems Technology (LEAST), one of six SRC STARnet Center - MARCO; Center for Low Energy Systems Technology (LEAST), one of six SRC STARnet Center - DARPA; DOE Office of Science [DE-AC02-05CH11231] FX J.L. was supported by the ONR DE-FINE MURI (N00014-10-1-0937). A. A. was supported by the Office of Science of the U.S. Department of Energy (DE-SC0010689). A.J. was supported in part by the Center for Low Energy Systems Technology (LEAST), one of six SRC STARnet Centers sponsored by MARCO and DARPA. The work made use of the Center for Scientific Computing at the CNSI and MRL: an NSF MRSEC (DMR-1121053) and NSF CNS-0960316, as well as NERSC, which is supported by the DOE Office of Science under Contract No. DE-AC02-05CH11231. NR 83 TC 13 Z9 13 U1 7 U2 70 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 MAY PY 2015 VL 252 IS 5 SI SI BP 900 EP 908 DI 10.1002/pssb.201552062 PG 9 WC Physics, Condensed Matter SC Physics GA CH8DV UT WOS:000354267300007 ER PT J AU Sakaguchi, T AF Sakaguchi, Takao TI Photon and dilepton production in high-energy heavy-ion collisions SO PRAMANA-JOURNAL OF PHYSICS LA English DT Article DE Photons; dileptons; Relativistic Heavy Ion Collider; Large Hadron Collider; quark gluon plasma ID LOW-MASS DILEPTONS; PHENIX AB The recent results on direct photons and dileptons in high-energy heavy-ion collisions, obtained particularly at Relativistic Heavy Ion Collider (RHIC) and Large Hadron Collider (LHC) are reviewed. The results are new not only in terms of the probes, but also in terms of the precision. We shall discuss the physics learned from the results. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Sakaguchi, T (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM takao@bnl.gov NR 48 TC 1 Z9 1 U1 6 U2 8 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 MAY PY 2015 VL 84 IS 5 BP 845 EP 859 DI 10.1007/s12043-015-0970-3 PG 15 WC Physics, Multidisciplinary SC Physics GA CI3DN UT WOS:000354627900013 ER PT J AU Liao, JF AF Liao, Jinfeng TI Anomalous transport effects and possible environmental symmetry 'violation' in heavy-ion collisions SO PRAMANA-JOURNAL OF PHYSICS LA English DT Article DE Heavy-ion collision; quark-gluon plasma; anomalous effect; topological effect ID QUARK-GLUON PLASMA; MAGNETIC-FIELD; QCD MATTER; STRONG CP; COLLABORATION; PERSPECTIVE; AXIONS; EVENT AB The heavy-ion collision provides a unique many-body environment where local domains of strongly interacting chiral medium may occur and in a sense allow environmental symmetry 'violation' phenomena. For example, certain anomalous transport processes, forbidden in usual medium, become possible in such domains. We briefly review recent progress in both the theoretical understanding and experimental search of various anomalous transport effects (such as the chiral magnetic effect, chiral separation effect, chiral electric separation effect, chiral electric /magnetic waves, etc.) in the hot QCD fluid formed by such collisions. C1 [Liao, Jinfeng] Indiana Univ, Dept Phys, Bloomington, IN 47408 USA. [Liao, Jinfeng] Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47408 USA. [Liao, Jinfeng] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. RP Liao, JF (reprint author), Indiana Univ, Dept Phys, 2401 N Milo B Sampson Lane, Bloomington, IN 47408 USA. EM liaoji@indiana.edu FU National Science Foundation [PHY-1352368]; RIKEN BNL Research Center FX The author thanks J Bloczynski, Y Burnier, A Bzdak, X Huang, Y Jiang, D Kharzeev, V Koch, H Yee, and X Zhang for collaborations on various related aspects. He also thanks H Huang, H Ke, R Lacey, L McLerran, B Mohanty, M Stephanov, A Tang, G Wang, and N Xu for discussions and communications. The research of the author is supported by the National Science Foundation (Grant No. PHY-1352368) and he is also grateful to the RIKEN BNL Research Center for partial support. The author thanks the Yukawa Institute for Theoretical Physics, Kyoto University, where this work was partly completed during the YITP-T-13-05 on 'New Frontiers in QCD'. NR 130 TC 26 Z9 26 U1 0 U2 3 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 MAY PY 2015 VL 84 IS 5 BP 901 EP 926 DI 10.1007/s12043-015-0984-x PG 26 WC Physics, Multidisciplinary SC Physics GA CI3DN UT WOS:000354627900016 ER PT J AU Lowell, JL Antolin, MF Andersen, GL Hu, P Stokowski, RP Gage, KL AF Lowell, Jennifer L. Antolin, Michael F. Andersen, Gary L. Hu, Ping Stokowski, Renee P. Gage, Kenneth L. TI Single-Nucleotide Polymorphisms Reveal Spatial Diversity Among Clones of Yersinia pestis During Plague Outbreaks in Colorado and the Western United States SO VECTOR-BORNE AND ZOONOTIC DISEASES LA English DT Article DE Colorado; Spatial diversity; Yersinia pestis; Plague-Single-nucleotide polymorphisms; Western United States ID TAILED PRAIRIE DOGS; COMPLETE GENOME SEQUENCE; CYNOMYS-LUDOVICIANUS; EVOLUTION; CLIMATE; POPULATIONS; ABUNDANCE; PERSISTENCE; THRESHOLDS; EPIZOOTICS AB Background: In western North America, plague epizootics caused by Yersinia pestis appear to sweep across landscapes, primarily infecting and killing rodents, especially ground squirrels and prairie dogs. During these epizootics, the risk of Y. pestis transmission to humans is highest. While empirical models that include climatic conditions and densities of rodent hosts and fleas can predict when epizootics are triggered, bacterial transmission patterns across landscapes, and the scale at which Y. pestis is maintained in nature during inter-epizootic periods, are poorly defined. Elucidating the spatial extent of Y. pestis clones during epizootics can determine whether bacteria are propagated across landscapes or arise independently from local inter-epizootic maintenance reservoirs. Material and Methods: We used DNA microarray technology to identify single-nucleotide polymorphisms (SNPs) in 34 Y. pestis isolates collected in the western United States from 1980 to 2006, 21 of which were collected during plague epizootics in Colorado. Phylogenetic comparisons were used to elucidate the hypothesized spread of Y. pestis between the mountainous Front Range and the eastern plains of northern Colorado during epizootics. Isolates collected from across the western United States were included for regional comparisons. Results: By identifying SNPs that mark individual clones, our results strongly suggest that Y. pestis is maintained locally and that widespread epizootic activity is caused by multiple clones arising independently at small geographic scales. This is in contrast to propagation of individual clones being transported widely across landscapes. Regionally, our data are consistent with the notion that Y. pestis diversifies at relatively local scales following long-range translocation events. We recommend that surveillance and prediction by public health and wildlife management professionals focus more on models of local or regional weather patterns and ecological factors that may increase risk of widespread epizootics, rather than predicting or attempting to explain epizootics on the basis of movement of host species that may transport plague. C1 [Lowell, Jennifer L.] Carroll Coll, Dept Hlth Sci, Helena, MT 59625 USA. [Lowell, Jennifer L.; Antolin, Michael F.] Colorado State Univ, Dept Biol, Ft Collins, CO 80523 USA. [Andersen, Gary L.; Hu, Ping] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Stokowski, Renee P.] Ariosa Diagnost, San Jose, CA USA. [Lowell, Jennifer L.; Gage, Kenneth L.] Ctr Dis Control & Prevent, Div Vector Borne Dis, Ft Collins, CO USA. RP Lowell, JL (reprint author), Carroll Coll, Dept Hlth Sci, 1601 N Benton Ave, Helena, MT 59625 USA. EM jlowell@carroll.edu RI Hu, Ping/G-2384-2015; Andersen, Gary/G-2792-2015 OI Andersen, Gary/0000-0002-1618-9827 FU ISTC Biotechnology Engagement Program [K- 584 p]; National Science Foundation-Ecology of Infectious Diseases (NSF-EID) [0327052] FX We thank John Montenieri and Scott Bearden from the Centers for Disease Control and Prevention, Division of Vector Borne Diseases, respectively, for geographic information systems and laboratory support. We also thank Dan Tripp and the field crews from the Antolin Laboratory at Colorado State University, Fort Collins, CO. This work was supported by the ISTC Biotechnology Engagement Program (award K- 584 p) and National Science Foundation-Ecology of Infectious Diseases (NSF-EID) (grant no. 0327052). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 63 TC 4 Z9 4 U1 4 U2 22 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1530-3667 EI 1557-7759 J9 VECTOR-BORNE ZOONOT JI Vector-Borne Zoonotic Dis. PD MAY 1 PY 2015 VL 15 IS 5 BP 291 EP 302 DI 10.1089/vbz.2014.1714 PG 12 WC Public, Environmental & Occupational Health; Infectious Diseases SC Public, Environmental & Occupational Health; Infectious Diseases GA CI3XV UT WOS:000354681600002 PM 25988438 ER PT J AU Morshed, N Echols, N Adams, PD AF Morshed, Nader Echols, Nathaniel Adams, Paul D. TI Using support vector machines to improve elemental ion identification in macromolecular crystal structures SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article DE elemental ion identification; support vector machines; model building ID BOND-VALENCE PARAMETERS; PROTEIN DATA-BANK; BINDING-SITES; FEATURES; METALLOPROTEOMICS; CRYSTALLOGRAPHY; CLASSIFICATION; PREDICTION; MECHANISM; SELECTION AB In the process of macromolecular model building, crystallographers must examine electron density for isolated atoms and differentiate sites containing structured solvent molecules from those containing elemental ions. This task requires specific knowledge of metal-binding chemistry and scattering properties and is prone to error. A method has previously been described to identify ions based on manually chosen criteria for a number of elements. Here, the use of support vector machines (SVMs) to automatically classify isolated atoms as either solvent or one of various ions is described. Two data sets of protein crystal structures, one containing manually curated structures deposited with anomalous diffraction data and another with automatically filtered, high-resolution structures, were constructed. On the manually curated data set, an SVM classifier was able to distinguish calcium from manganese, zinc, iron and nickel, as well as all five of these ions from water molecules, with a high degree of accuracy. Additionally, SVMs trained on the automatically curated set of high-resolution structures were able to successfully classify most common elemental ions in an independent validation test set. This method is readily extensible to other elemental ions and can also be used in conjunction with previous methods based on a priori expectations of the chemical environment and X-ray scattering. C1 [Morshed, Nader] Univ Calif Berkeley, Coll Letters & Sci, Berkeley, CA 94720 USA. [Morshed, Nader; Echols, Nathaniel; Adams, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Echols, N (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM nechols@lbl.gov; pdadams@lbl.gov RI Adams, Paul/A-1977-2013 OI Adams, Paul/0000-0001-9333-8219 FU NIH [GM063210]; PHENIX Industrial Consortium; US Department of Energy [DE-AC02-05CH11231]; UC Berkeley Summer Undergraduate Research Fellowship FX We thank Pavel Afonine, Jan Dohnalek, Elspeth Garman, Randy Read and Thomas Terwilliger for helpful discussions. This research was supported by the NIH (grant GM063210) and the PHENIX Industrial Consortium. This work was partially supported by the US Department of Energy under Contract DE-AC02-05CH11231. NM was partially supported by a UC Berkeley Summer Undergraduate Research Fellowship. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health or NIGMS. NR 50 TC 3 Z9 3 U1 0 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1399-0047 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD MAY PY 2015 VL 71 BP 1147 EP 1158 DI 10.1107/S1399004715004241 PN 5 PG 12 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CH9SN UT WOS:000354376700013 PM 25945580 ER PT J AU Weichenberger, CX Afonine, PV Kantardjieff, K Rupp, B AF Weichenberger, Christian X. Afonine, Pavel V. Kantardjieff, Katherine Rupp, Bernhard TI The solvent component of macromolecular crystals SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY LA English DT Article DE macromolecular crystals; solvent content; bulk solvent; ordered solvent ID PROTEIN-LIGAND COMPLEXES; X-RAY CRYSTALLOGRAPHY; HIGH-THROUGHPUT CRYSTALLOGRAPHY; FREE R-VALUE; ELECTRON-DENSITY; BULK-SOLVENT; DRUG DESIGN; MAXIMUM-LIKELIHOOD; AUTOMATED IDENTIFICATION; MOLECULAR REPLACEMENT AB The mother liquor from which a biomolecular crystal is grown will contain water, buffer molecules, native ligands and cofactors, crystallization precipitants and additives, various metal ions, and often small-molecule ligands or inhibitors. On average, about half the volume of a biomolecular crystal consists of this mother liquor, whose components form the disordered bulk solvent. Its scattering contributions can be exploited in initial phasing and must be included in crystal structure refinement as a bulk-solvent model. Concomitantly, distinct electron density originating from ordered solvent components must be correctly identified and represented as part of the atomic crystal structure model. Herein, are reviewed (i) probabilistic bulk-solvent content estimates, (ii) the use of bulk-solvent density modification in phase improvement, (iii) bulk-solvent models and refinement of bulk-solvent contributions and (iv) modelling and validation of ordered solvent constituents. A brief summary is provided of current tools for bulk-solvent analysis and refinement, as well as of modelling, refinement and analysis of ordered solvent components, including small-molecule ligands. C1 [Weichenberger, Christian X.] European Acad Bozen Bolzano EURAC, Ctr Biomed, I-39100 Bozen Bolzano, Sudtirol Alto A, Italy. [Afonine, Pavel V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Kantardjieff, Katherine] Calif State Univ, Coll Sci & Math, San Marcos, CA 92078 USA. [Rupp, Bernhard] KK Hofkristallamt, Dept Forens Crystallog, Vista, CA 92084 USA. [Rupp, Bernhard] Med Univ Innsbruck, Dept Genet Epidemiol, A-6020 Innsbruck, Austria. RP Rupp, B (reprint author), KK Hofkristallamt, Dept Forens Crystallog, 991 Audrey Pl, Vista, CA 92084 USA. EM br@hofkristallamt.org FU European Union [PIIF-GA-2011-300025]; NIH [1P01 GM063210]; Phenix Industrial Consortium; US Department of Energy [DE-AC02-05CH11231] FX BR acknowledges support from the European Union under an FP7 Marie Curie People Action grant PIIF-GA-2011-300025 (SAXCESS). PVA acknowledges support by the NIH (Project 1P01 GM063210), the Phenix Industrial Consortium and the US Department of Energy under Contract No. DE-AC02-05CH11231. Extended discussions with Dale Tronrud (Department of Biochemistry and Biophysics, Oregon State University, Corvallis, Oregon, USA) and Dirk Kostrewa (LMU Gene Center, Munich, Germany) as well as review comments and suggestions have led to significant improvements of the manuscript. Dale Tronrud also kindly provided Figs. 10(e) and 10(f). Randy Read (CIMR, Cambridge, England) and Alexandre Urzhumtsev (IGBMC, Strasbourg, France) provided implementation details for their respective computer programs. NR 150 TC 7 Z9 7 U1 2 U2 16 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 MAY PY 2015 VL 71 BP 1023 EP 1038 DI 10.1107/S1399004715006045 PN 5 PG 16 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CH9SN UT WOS:000354376700001 PM 25945568 ER PT J AU Coquelle, N Brewster, AS Kapp, U Shilova, A Weinhausen, B Burghammer, M Colletier, JP AF Coquelle, Nicolas Brewster, Aaron S. Kapp, Ulrike Shilova, Anastasya Weinhausen, Britta Burghammer, Manfred Colletier, Jacques-Philippe TI Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY LA English DT Article DE serial crystallography; hit finding; raster scanning; background subtraction; radiation damage ID FREE-ELECTRON LASER; X-RAY CRYSTALLOGRAPHY; ROOM-TEMPERATURE; FEMTOSECOND CRYSTALLOGRAPHY; MACROMOLECULAR CRYSTALS; STRUCTURE REFINEMENT; RADIATION-DAMAGE; DIFFRACTION; RESOLUTION; MODEL AB High-resolution structural information was obtained from lysozyme microcrystals (20 mu m in the largest dimension) using raster-scanning serial protein crystallography on micro- and nano-focused beamlines at the ESRF. Data were collected at room temperature (RT) from crystals sandwiched between two silicon nitride wafers, thereby preventing their drying, while limiting background scattering and sample consumption. In order to identify crystal hits, new multi-processing and GUI-driven Python-based pre-analysis software was developed, named NanoPeakCell, that was able to read data from a variety of crystallographic image formats. Further data processing was carried out using CrystFEL, and the resultant structures were refined to 1.7 angstrom resolution. The data demonstrate the feasibility of RT raster-scanning serial micro- and nano-protein crystallography at synchrotrons and validate it as an alternative approach for the collection of high-resolution structural data from micro-sized crystals. Advantages of the proposed approach are its thriftiness, its handling-free nature, the reduced amount of sample required, the adjustable hit rate, the high indexing rate and the minimization of background scattering. C1 [Coquelle, Nicolas; Colletier, Jacques-Philippe] Univ Grenoble Alpes, IBS, F-38044 Grenoble, France. [Coquelle, Nicolas; Colletier, Jacques-Philippe] CNRS, IBS, F-38044 Grenoble, France. [Coquelle, Nicolas; Colletier, Jacques-Philippe] CEA Grenoble, IBS, F-38044 Grenoble, France. [Brewster, Aaron S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Kapp, Ulrike; Shilova, Anastasya; Weinhausen, Britta; Burghammer, Manfred] European Synchrotron Radiat Facil, F-38043 Grenoble, France. [Burghammer, Manfred] Univ Ghent, Dept Analyt Chem, B-9000 Ghent, Belgium. RP Burghammer, M (reprint author), European Synchrotron Radiat Facil, BP 220, F-38043 Grenoble, France. EM burgham@esrf.fr; colletier@ibs.fr FU ANR; CEA; CNRS; UJF; France Alzheimer Foundation FX Financial support by the ANR, the CEA, the CNRS and the UJF is acknowledged. NC is supported by a grant from the France Alzheimer Foundation. We thank M. Weik, T. A. White, R. G. Sierra, C. Riekel, J. Rodriguez, E. Girard, D. Cascio, M. R. Sawaya and D. S. Eisenberg for helpful and stimulating discussions, as well as for continuing support. We are indebted to L. Lardiere and L. Peyrin for the three-dimensional rendering of our sample preparation procedure shown in Fig. 1(f). NR 56 TC 16 Z9 16 U1 3 U2 20 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 MAY PY 2015 VL 71 BP 1184 EP 1196 DI 10.1107/S1399004715004514 PN 5 PG 13 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CH9SN UT WOS:000354376700016 PM 25945583 ER PT J AU Buchko, GW Yee, A Semesi, A Myler, PJ Arrowsmith, CH Hui, R AF Buchko, Garry W. Yee, Adelinda Semesi, Anthony Myler, Peter J. Arrowsmith, Cheryl H. Hui, Raymond TI Solution-state NMR structure of the putative morphogene protein BolA (PFE0790c) from Plasmodium falciparum SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article DE Plasmodium falciparum; BolA; PFE0790c ID ESCHERICHIA-COLI; CHEMICAL-SHIFT; MALARIA; GROWTH; EXPRESSION; COMPLEXES; SEQUENCE AB Protozoa of the genus Plasmodium are responsible for malaria, which is perhaps the most important parasitic disease to infect mankind. The emergence of Plasmodium strains resistant to current therapeutics and prophylactics makes the development of new treatment strategies urgent. Among the potential targets for new antimalarial drugs is the BolA-like protein PFE0790c from Plasmodium falciparum (Pf-BolA). While the function of BolA is unknown, it has been linked to cell morphology by regulating transcription in response to stress. Using an NMR-based method, an ensemble of 20 structures of Pf-BolA was determined and deposited in the PDB (PDB entry ). The overall topology of the Pf-BolA structure, 1-1-2-1-2/2-3-3, with the -strands forming a mixed -sheet, is similar to the fold observed in other BolA structures. A helix-turn-helix motif similar to the class II KH fold associated with nucleic acid-binding proteins is present, but contains an FXGXXXL signature sequence that differs from the GXXG signature sequence present in class II KH folds, suggesting that the BolA family of proteins may use a novel protein-nucleic acid interface. A well conserved arginine residue, Arg50, hypothesized to play a role in governing the formation of the C-terminal -helix in the BolA family of proteins, is too distant to form polar contacts with any side chains in this -helix in Pf-BolA, suggesting that this conserved arginine may only serve a role in guiding the orientation of this C-terminal helix in some BolA proteins. A survey of BolA structures suggests that the C-terminal helix may not have a functional role and that the third helix (2/2) has a `kink' that appears to be conserved among the BolA protein structures. Circular dichroism spectroscopy shows that Pf-BolA is fairly robust, partially unfolding when heated to 353K and refolding upon cooling to 298K. C1 [Buchko, Garry W.; Myler, Peter J.] Seattle Struct Genom Ctr Infect Dis, Seattle, WA 98195 USA. [Buchko, Garry W.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Yee, Adelinda; Semesi, Anthony; Arrowsmith, Cheryl H.; Hui, Raymond] Univ Toronto, Dept Med Biophys, Toronto, ON, Canada. [Myler, Peter J.] Seattle BioMed, Seattle, WA USA. [Myler, Peter J.] Univ Washington, Dept Med Educ & Biomed Informat, Seattle, WA 98195 USA. [Myler, Peter J.] Univ Washington, Dept Global Hlth, Seattle, WA 98195 USA. [Arrowsmith, Cheryl H.; Hui, Raymond] Struct Genom Consortium, Oxford, England. RP Buchko, GW (reprint author), Seattle Struct Genom Ctr Infect Dis, Seattle, WA 98195 USA. EM garry.buchko@pnnl.gov RI Buchko, Garry/G-6173-2015 OI Buchko, Garry/0000-0002-3639-1061 FU Federal funds from the National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services [HHSN2722001200025C, HHSN272200700057C]; Natural Sciences and Engineering Research Council of Canada; Structural Genomics Consortium (SGC); AbbVie; Boehringer Ingelheim; Canada Foundation for Innovation (CFI); Canadian Institutes of Health Research (CIHR); Genome Canada; Ontario Genomics Institute [OGI-055]; GlaxoSmithKline; Janssen; Lilly Canada; Novartis Research Foundation; Ontario Ministry of Economic Development and Innovation; Pfizer; Takeda; Wellcome Trust [092809/Z/10/Z]; US Department of Energy's Office of Biological and Environmental Research (BER) program FX This research was funded with Federal funds from the National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services under Contract Nos. HHSN2722001200025C and HHSN272200700057C, the Natural Sciences and Engineering Research Council of Canada and the Structural Genomics Consortium (SGC). The SGC is a registered charity (No. 1097737) that receives funds from AbbVie, Boehringer Ingelheim, the Canada Foundation for Innovation (CFI), the Canadian Institutes of Health Research (CIHR), Genome Canada, Ontario Genomics Institute Grant OGI-055, GlaxoSmithKline, Janssen, Lilly Canada, the Novartis Research Foundation, the Ontario Ministry of Economic Development and Innovation, Pfizer, Takeda and the Wellcome Trust Grant 092809/Z/10/Z. The SSGCID internal ID for Pf-BolA is PlfaA.01650.a. Part of this research was conducted at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the US Department of Energy's Office of Biological and Environmental Research (BER) program located at Pacific Northwest National Laboratory (PNNL). Battelle operates PNNL for the US Department of Energy. NR 35 TC 0 Z9 0 U1 0 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Commun. PD MAY PY 2015 VL 71 SI SI BP 514 EP 521 DI 10.1107/S2053230X1402799X PN 5 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CH9TC UT WOS:000354378200004 PM 25945703 ER PT J AU Buchko, GW Abendroth, J Clifton, MC Robinson, H Zhang, YF Hewitt, SN Staker, BL Edwards, TE Van Voorhis, WC Myler, PJ AF Buchko, Garry W. Abendroth, Jan Clifton, Matthew C. Robinson, Howard Zhang, Yanfeng Hewitt, Stephen N. Staker, Bart L. Edwards, Thomas E. Van Voorhis, Wesley C. Myler, Peter J. TI Structure of a CutA1 divalent-cation tolerance protein from Cryptosporidium parvum, the protozoal parasite responsible for cryptosporidiosis SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article DE Cryptosporidium parvum; divalent-cation tolerance protein; CutA1; cryptosporidiosis ID CRYSTAL-STRUCTURE; MACROMOLECULAR CRYSTALLOGRAPHY; ANGSTROM RESOLUTION; CIRCULAR-DICHROISM; DISEASE; EPIDEMIOLOGY; TEMPERATURE; SOFTWARE; GENOMICS; BIOLOGY AB Cryptosporidiosis is an infectious disease caused by protozoan parasites of the Cryptosporidium genus. Infection is associated with mild to severe diarrhea that usually resolves spontaneously in healthy human adults, but may lead to severe complications in young children and in immunocompromised patients. The genome of C. parvum contains a gene, CUTA_CRYPI, that may play a role in regulating the intracellular concentration of copper, which is a toxic element in excess. Here, the crystal structure of this CutA1 protein, Cp-CutA1, is reported at 2.0 angstrom resolution. As observed for other CutA1 structures, the 117-residue protein is a trimer with a core ferrodoxin-like fold. Circular dichroism spectroscopy shows little, in any, unfolding of Cp-CutA1 up to 353K. This robustness is corroborated by H-1-N-15 HSQC spectra at 333K, which are characteristic of a folded protein, suggesting that NMR spectroscopy may be a useful tool to further probe the function of the CutA1 proteins. While robust, Cp-CutA1 is not as stable as the homologous protein from a hyperthermophile, perhaps owing to a wide -bulge in 2 that protrudes Pro48 and Ser49 outside the -sheet. C1 [Buchko, Garry W.; Abendroth, Jan; Clifton, Matthew C.; Hewitt, Stephen N.; Staker, Bart L.; Edwards, Thomas E.; Van Voorhis, Wesley C.; Myler, Peter J.] Seattle Struct Genom Ctr Infect Dis, Seattle, WA 98195 USA. [Buchko, Garry W.; Zhang, Yanfeng] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Abendroth, Jan; Clifton, Matthew C.; Edwards, Thomas E.] Beryllium, Bainbridge Isl, WA USA. [Robinson, Howard] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Hewitt, Stephen N.; Van Voorhis, Wesley C.] Univ Washington, Dept Med, Seattle, WA USA. [Staker, Bart L.; Myler, Peter J.] Seattle Biomed Res Inst, Seattle, WA 98109 USA. [Myler, Peter J.] Univ Washington, Dept Med Educ & Biomed Informat, Seattle, WA 98195 USA. [Myler, Peter J.] Univ Washington, Dept Global Hlth, Seattle, WA 98195 USA. RP Buchko, GW (reprint author), Seattle Struct Genom Ctr Infect Dis, Seattle, WA 98195 USA. EM garry.buchko@pnnl.gov RI Buchko, Garry/G-6173-2015 OI Buchko, Garry/0000-0002-3639-1061 FU National Institute of Allergy and Infectious Diseases [HHSN2722001200025C, HHSN272200700057C]; US Department of Energy's Office of Biological and Environmental Research program FX This research was funded by the National Institute of Allergy and Infectious Diseases under Federal Contract Nos. HHSN2722001200025C and HHSN272200700057C. The SSGCID internal ID for Cp-CutA1 is CrpA.01087.a. Part of the research was conducted at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the US Department of Energy's Office of Biological and Environmental Research program located at Pacific Northwest National Laboratory (PNNL). Battelle operates PNNL for the US Department of Energy. The assistance of the X29A beamline scientists at the National Synchrotron Light Source at Brookhaven National Laboratory is appreciated. Support for beamline X29A at the National Synchrotron Light Source comes principally from the Offices of Biological and Environmental Research and of Basic Energy Sciences of the US Department of Energy and from the National Center for Research Resources of the National Institutes of Health. NR 49 TC 0 Z9 0 U1 0 U2 0 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 MAY PY 2015 VL 71 SI SI BP 522 EP 530 DI 10.1107/S2053230X14028210 PN 5 PG 9 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CH9TC UT WOS:000354378200005 PM 25945704 ER PT J AU Kim, Y Makowska-Grzyska, M Gorla, SK Gollapalli, DR Cuny, GD Joachimiak, A Hedstrom, L AF Kim, Youngchang Makowska-Grzyska, Magdalena Gorla, Suresh Kumar Gollapalli, Deviprasad R. Cuny, Gregory D. Joachimiak, Andrzej Hedstrom, Lizbeth TI Structure of Cryptosporidium IMP dehydrogenase bound to an inhibitor with in vivo antiparasitic activity SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article DE Cryptosporidium; inosine 5-monophosphate dehydrogenase; P131 ID INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE; ETCH VIRUS PROTEASE; MONOPHOSPHATE DEHYDROGENASE; MOLECULAR-INTERACTIONS; CRYSTAL-STRUCTURE; HIGH-THROUGHPUT; DRUG DESIGN; PARVUM; MODEL; PAROMOMYCIN AB Inosine 5-monophosphate dehydrogenase (IMPDH) is a promising target for the treatment of Cryptosporidium infections. Here, the structure of C. parvum IMPDH (CpIMPDH) in complex with inosine 5-monophosphate (IMP) and P131, an inhibitor with in vivo anticryptosporidial activity, is reported. P131 contains two aromatic groups, one of which interacts with the hypoxanthine ring of IMP, while the second interacts with the aromatic ring of a tyrosine in the adjacent subunit. In addition, the amine and NO2 moieties bind in hydrated cavities, forming water-mediated hydrogen bonds to the protein. The design of compounds to replace these water molecules is a new strategy for the further optimization of C. parvum inhibitors for both antiparasitic and antibacterial applications. C1 [Kim, Youngchang; Makowska-Grzyska, Magdalena; Joachimiak, Andrzej] Univ Chicago, Computat Inst, Ctr Struct Genom Infect Dis, Chicago, IL 60637 USA. [Kim, Youngchang; Joachimiak, Andrzej] Argonne Natl Lab, Struct Biol Ctr, Biosci, Argonne, IL 60439 USA. [Gorla, Suresh Kumar; Gollapalli, Deviprasad R.; Hedstrom, Lizbeth] Brandeis Univ, Dept Biol, Waltham, MA 02454 USA. [Cuny, Gregory D.] Univ Houston, Dept Pharmacol & Pharmaceut Sci, Coll Pharm, Houston, TX 77204 USA. [Hedstrom, Lizbeth] Brandeis Univ, Dept Chem, Waltham, MA 02454 USA. RP Joachimiak, A (reprint author), Univ Chicago, Computat Inst, Ctr Struct Genom Infect Dis, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM andrzejj@anl.gov; hedstrom@brandeis.edu FU National Institutes of Health (NIH), the National Institute of Allergy and Infectious Diseases [HHSN272200700058C, HHSN-272201200026C]; Center for Structural Genomics of Infectious Diseases; NIH [AI093459, AI106743]; US Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357] FX This work was supported by the National Institutes of Health (NIH), the National Institute of Allergy and Infectious Diseases (contracts HHSN272200700058C and HHSN-272201200026C to the Center for Structural Genomics of Infectious Diseases; to AJ) and NIH grants AI093459 (to LH) and AI106743 (to GDC). The use of Structural Biology Center beamlines was supported by the US Department of Energy, Office of Biological and Environmental Research (contract DE-AC02-06CH11357). NR 41 TC 3 Z9 3 U1 0 U2 6 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 MAY PY 2015 VL 71 SI SI BP 531 EP 538 DI 10.1107/S2053230X15000187 PN 5 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CH9TC UT WOS:000354378200006 PM 25945705 ER PT J AU Serbzhinskiy, DA Clifton, MC Sankaran, B Staker, BL Edwards, TE Myler, PJ AF Serbzhinskiy, Dmitry A. Clifton, Matthew C. Sankaran, Banumathi Staker, Bart L. Edwards, Thomas E. Myler, Peter J. TI Structure of an ADP-ribosylation factor, ARF1, from Entamoeba histolytica bound to Mg2+-GDP SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article DE GDP-ribosylation factor; small GTPase; ARFA1; structural genomics; Seattle Structural Genomics Center for Infectious Disease; SSGCID; signaling protein ID INFECTIOUS-DISEASE; GENOMICS CENTER; G-PROTEINS; AMEBIASIS; MECHANISM; REFINEMENT; REGULATORS; EFFECTORS; GTPASES; FAMILY AB Entamoeba histolytica is the etiological agent of amebiasis, a diarrheal disease which causes amoebic liver abscesses and amoebic colitis. Approximately 50 million people are infected worldwide with E. histolytica. With only 10% of infected people developing symptomatic amebiasis, there are still an estimated 100000 deaths each year. Because of the emergence of resistant strains of the parasite, it is necessary to find a treatment which would be a proper response to this challenge. ADP-ribosylation factor (ARF) is a member of the ARF family of GTP-binding proteins. These proteins are ubiquitous in eukaryotic cells; they generally associate with cell membranes and regulate vesicular traffic and intracellular signalling. The crystal structure of ARF1 from E. histolytica has been determined bound to magnesium and GDP at 1.8 angstrom resolution. Comparison with other structures of eukaryotic ARF proteins shows a highly conserved structure and supports the interswitch toggle mechanism of communicating the conformational state to partner proteins. C1 [Serbzhinskiy, Dmitry A.; Clifton, Matthew C.; Staker, Bart L.; Edwards, Thomas E.; Myler, Peter J.] SSGCID, Seattle, WA 98109 USA. [Serbzhinskiy, Dmitry A.; Staker, Bart L.; Myler, Peter J.] Seattle Biomed Res Inst, Seattle, WA 98109 USA. [Clifton, Matthew C.; Edwards, Thomas E.] Beryllium West Coast Operat, Bainbridge Isl, WA 98110 USA. [Sankaran, Banumathi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Ctr Struct Biol, Berkeley, CA 94720 USA. [Myler, Peter J.] Univ Washington, Dept Global Hlth, Seattle, WA 98195 USA. [Myler, Peter J.] Univ Washington, Dept Med Educ & Biomed Informat, Seattle, WA 98195 USA. RP Serbzhinskiy, DA (reprint author), SSGCID, Seattle, WA 98109 USA. EM dmitry.serbzhinskiy@seattlebiomed.org FU Federal funds from the National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services [HHSN272201200025C]; Office of Science, Office of Basic Energy Sciences of the US Department of Energy [DE-AC02-05CH11231] FX The authors wish to thank the entire SSGCID team. This project has been funded in whole with Federal funds from the National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services under Contract No. HHSN272201200025C. We also wish to thank the Advanced Light Source, which is supported by the Director, Office of Science, Office of Basic Energy Sciences of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 28 TC 4 Z9 4 U1 1 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Commun. PD MAY PY 2015 VL 71 SI SI BP 594 EP 599 DI 10.1107/S2053230X15004677 PN 5 PG 6 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA CH9TC UT WOS:000354378200015 PM 25945714 ER PT J AU Fulgoni, VL Keast, DR Lieberman, HR AF Fulgoni, Victor L., III Keast, Debra R. Lieberman, Harris R. TI Trends in intake and sources of caffeine in the diets of US adults: 2001-2010 SO AMERICAN JOURNAL OF CLINICAL NUTRITION LA English DT Article DE NHANES; coffee; tea; energy drinks; usual intake; beverages ID COFFEE CONSUMPTION; BLOOD-PRESSURE; UNITED-STATES; METAANALYSIS; MORTALITY; CHILDREN; STRESS; ENERGY; COHORT AB Background: Coffee and tea are traditional sources of caffeine in the diet, but other sources, such as energy drinks, are now available. Because risks and benefits of caffeine use are dose dependent, the public health consequences of caffeine consumption cannot be determined without data on amounts currently consumed by the US population. Objective: The objective was to obtain an up-to-date, nationally representative estimate of caffeine consumption in adults. Design: Dietary intake data from NHANES from 2001 to 2010 for adults >= 19 y of age were used (n = 24,808). Acute and usual intake of caffeine was estimated from all caffeine-containing foods and beverages. Trends in consumption and changes in sources of caffeine were also examined. Results: Eighty-nine percent of the adult US population consumed caffeine, with equal prevalence in men and women. Usual mean +/- SE per capita caffeine consumption when nonusers were included was 186 +/- 4 mg/d, with men consuming more than women (211 +/- 5 vs. 161 +/- 3 mg/d, P < 0.05). Usual intake in consumers was 211 +/- 3 mg/d, with 240 +/- 4 mg/d in men and 183 +/- 3 mg/d in women (P < 0.05); 46% was consumed in a single consumption event. In consumers, acute 90th and 99th percentiles of intake were 436 and 1066 mg/d, respectively. Consumption was highest in men aged 31-50 y and lowest in women aged 19-30 y. Beverages provided 98% of caffeine consumed, with coffee (similar to 64%), tea (similar to 16%), and soft drinks (similar to 18%) predominant sources; energy drinks provided <1%, but their consumption increased substantially from 2001 to 2010. Conclusions: Although new caffeine-containing products were introduced into the US food supply, total per capita intake was stable over the period examined. C1 [Fulgoni, Victor L., III] Nutr Impact LLC, Battle Creek, MI 49014 USA. [Fulgoni, Victor L., III; Keast, Debra R.] Oak Ridge Inst Sci & Educ, Belcamp, MD USA. [Keast, Debra R.] Food & Nutr Database Res Inc, Okemos, MI USA. [Lieberman, Harris R.] US Army Res Inst Environm Med, Mil Nutr Div, Natick, MA USA. RP Fulgoni, VL (reprint author), Nutr Impact LLC, 9725 D Dr North, Battle Creek, MI 49014 USA. EM vic3rd@aol.com FU US Army Medical Research and Materiel Command; Department of Defense Center Alliance for Dietary Supplement Research FX Supported by the US Army Medical Research and Materiel Command and the Department of Defense Center Alliance for Dietary Supplement Research. NR 32 TC 20 Z9 20 U1 5 U2 31 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 MAY PY 2015 VL 101 IS 5 BP 1081 EP 1087 DI 10.3945/ajcn.113.080077 PG 7 WC Nutrition & Dietetics SC Nutrition & Dietetics GA CH5KS UT WOS:000354075100023 PM 25832334 ER PT J AU Rubin, D Aldering, G Amanullah, R Barbary, K Dawson, KS Deustua, S Faccioli, L Fadeyev, V Fakhouri, HK Fruchter, AS Gladders, MD de Jong, RS Koekemoer, A Krechmer, E Lidman, C Meyers, J Nordin, J Perlmutter, S Ripoche, P Schlegel, DJ Spadafora, A Suzuki, N AF Rubin, D. Aldering, G. Amanullah, R. Barbary, K. Dawson, K. S. Deustua, S. Faccioli, L. Fadeyev, V. Fakhouri, H. K. Fruchter, A. S. Gladders, M. D. de Jong, R. S. Koekemoer, A. Krechmer, E. Lidman, C. Meyers, J. Nordin, J. Perlmutter, S. Ripoche, P. Schlegel, D. J. Spadafora, A. Suzuki, N. TI A CALIBRATION OF NICMOS CAMERA 2 FOR LOW COUNT RATES SO ASTRONOMICAL JOURNAL LA English DT Article DE supernovae: general; techniques: photometric ID HUBBLE-SPACE-TELESCOPE; EXTRAGALACTIC LEGACY SURVEY; ORIGINS DEEP SURVEY; GOODS-SOUTH FIELD; IA SUPERNOVAE; GALAXY CLUSTER; DARK-ENERGY; SPECTROSCOPIC SURVEY; MASSIVE CLUSTER; REDSHIFT SURVEY AB NICMOS 2 observations are crucial for constraining distances to most of the existing sample of z > 1 SNe Ia. Unlike conventional calibration programs, these observations involve long exposure times and low count rates. Reciprocity failure is known to exist in HgCdTe devices and a correction for this effect has already been implemented for high and medium count rates. However, observations at faint count rates rely on extrapolations. Here instead, we provide a new zero-point calibration directly applicable to faint sources. This is obtained via inter-calibration of NIC2 F110W/F160W with the Wide Field Camera 3 (WFC3) in the low count-rate regime using z similar to 1 elliptical galaxies as tertiary calibrators. These objects have relatively simple near-IR spectral energy distributions, uniform colors, and their extended nature gives a superior signal-to-noise ratio at the same count rate than would stars. The use of extended objects also allows greater tolerances on point-spread function profiles. We find space telescope magnitude zero points (after the installation of the NICMOS cooling system, NCS) of 25.296 +/- 0.022 for F110W and 25.803 +/- 0.023 for F160W, both in agreement with the calibration extrapolated from count rates greater than or similar to 1000 times larger (25.262 and 25.799). Before the installation of the NCS, we find 24.843 +/- 0.025 for F110W and 25.498 +/- 0.021 for F160W, also in agreement with the high-count-rate calibration (24.815 and 25.470). We also check the standard bandpasses of WFC3 and NICMOS 2 using a range of stars and galaxies at different colors and find mild tension for WFC3, limiting the accuracy of the zero points. To avoid human bias, our cross-calibration was "blinded" in that the fitted zero-point differences were hidden until the analysis was finalized. C1 [Rubin, D.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Aldering, G.; Barbary, K.; Fakhouri, H. K.; Nordin, J.; Perlmutter, S.; Schlegel, D. J.; Spadafora, A.] EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Amanullah, R.] Univ Stockholm, AlbaNova, Dept Phys, Oskar Klein Ctr, SE-10691 Stockholm, Sweden. [Dawson, K. S.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Deustua, S.; Fruchter, A. S.; Koekemoer, A.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Faccioli, L.] Peking Univ, Kavli Inst Astron & Astrophys, Beijing 100871, Peoples R China. [Faccioli, L.] Chinese Acad Sci, Natl Astron Observ, Beijing 100012, Peoples R China. [Fadeyev, V.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Fakhouri, H. K.; Krechmer, E.; Perlmutter, S.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Gladders, M. D.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Gladders, M. D.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [de Jong, R. S.] Leibniz Inst Astrophys Potsdam AIP, D-14482 Potsdam, Germany. [Lidman, C.] Australian Astron Observ, Epping, NSW 1710, Australia. [Meyers, J.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Nordin, J.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Ripoche, P.] Google, Pittsburgh, PA USA. [Suzuki, N.] Univ Tokyo, Kavli Inst Phys & Math Universe, Kashiwa, Chiba 2778583, Japan. RP Rubin, D (reprint author), Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. OI Koekemoer, Anton/0000-0002-6610-2048 FU NASA from the Space Telescope Science Institute [GO/DD-11799, GO/DD-12051]; Office of Science, Department of Energy [DE-AC02-05CH11231]; NASA [NAS 5-26555] FX Financial support for this work was provided by NASA through programs GO/DD-11799 and GO/DD-12051 from the Space Telescope Science Institute, which is operated by AURA, Inc., under NASA contract NAS 5-26555. This work was also partially supported by the Director, Office of Science, Department of Energy, under grant DE-AC02-05CH11231. This research has made use of the NASA/IPAC Extragalactic Database (NED), which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration. We thank the anonymous referee for feedback that improved this work. NR 60 TC 2 Z9 2 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 EI 1538-3881 J9 ASTRON J JI Astron. J. PD MAY PY 2015 VL 149 IS 5 AR 159 DI 10.1088/0004-6256/149/5/159 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA CH5HC UT WOS:000354065200010 ER PT J AU Duman, EA Kriaucionis, S Dunn, JJ Hatchwell, E AF Duman, Elif Aysimi Kriaucionis, Skirmantas Dunn, John J. Hatchwell, Eli TI A simple modification to the luminometric methylation assay to control for the effects of DNA fragmentation SO BIOTECHNIQUES LA English DT Article DE epigenetics; global DNA methylation; luminometric methylation assay; DNA integrity ID GLOBAL DNA; TISSUE AB Variations in DNA methylation have been implicated in a number of disorders. Changes in global DNA methylation levels have long been associated with various types of cancer. One of the recently described methods for determining global DNA methylation levels is the LUminometric Methylation Assay (LUMA), which utilizes methylation sensitive and insensitive restriction endonucleases and pyrosequencing technology for quantification. Here we provide evidence suggesting that the global methylation level reported by LUMA is affected by the integrity of the DNA being analyzed. The less intact the DNA, the lower the global methylation levels reported by LUMA. In order to overcome this problem, we propose the use of undigested DNA alongside digested samples. Finally, we demonstrate that this results in a more accurate assessment of global DNA methylation levels. C1 [Duman, Elif Aysimi] Bogazici Univ, Dept Psychol, Istanbul, Turkey. [Duman, Elif Aysimi] Bogazici Univ, Ctr Life Sci & Technol, Istanbul, Turkey. [Kriaucionis, Skirmantas] Univ Oxford, Ludwig Inst Canc Res Ltd, Oxford, England. [Dunn, John J.] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Hatchwell, Eli] SUNY Stony Brook, Dept Pathol, Stony Brook, NY 11794 USA. RP Duman, EA (reprint author), Bogazici Univ, Dept Psychol, South Campus, Istanbul, Turkey. EM elif.duman@boun.edu.tr OI Kriaucionis, Skirmantas/0000-0002-2273-5994 NR 10 TC 0 Z9 0 U1 0 U2 0 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 MAY PY 2015 VL 58 IS 5 BP 262 EP 264 DI 10.2144/000114290 PG 3 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA CI0SM UT WOS:000354448200010 PM 25967906 ER PT J AU Kim, TN Underwood, N AF Kim, Tania N. Underwood, Nora TI Plant neighborhood effects on herbivory: damage is both density and frequency dependent SO ECOLOGY LA English DT Article DE associational effects; associational resistance; associational susceptibility; dilution effects; old-field; resource concentration effects; Solanum carolinense; Solidago altissima ID INSECT HERBIVORES; ASSOCIATIONAL RESISTANCE; VEGETATIONAL DIVERSITY; APPARENT COMPETITION; SOLANUM-CAROLINENSE; SOLIDAGO-CANADENSIS; CANADIAN WEEDS; SUSCEPTIBILITY; DEFENSES; PERFORMANCE AB Neighboring plants can affect the likelihood that a focal plant is attacked by herbivores. Both the density of conspecific neighbors (resource concentration or dilution effects) and the relative density of heterospecific neighbors (associational effects or effects of neighbor frequency) within the local neighborhood can affect herbivore load and plant damage. Understanding how these neighborhood effects influence processes such as plant competition or natural selection on plant resistance traits will require knowing how both plant density and frequency affect damage, but previous studies have generally confounded density and frequency effects. In this study, we independently manipulated the absolute density and frequency (i.e., relative density) of two plant species (Solanum carolinense and Solidago altissima) to characterize neighborhood composition effects on S. carolinense damage by herbivores, providing the first picture of how both density and frequency of neighbors influence damage in a single system. We found both a positive effect of S. carolinense density on S. carolinense damage (a resource concentration effect) and a nonlinear effect of S. altissima frequency on S. carolinense damage (associational susceptibility). If these types of patterns are common in nature, future studies seeking to understand neighborhood effects on damage need to incorporate both density and frequency effects and capture any nonlinear effects by selecting a range of values rather than focusing on only a pair of densities or frequencies. This type of data on neighborhood effects will allow us to understand the contribution of neighborhood effects to population- level processes such as competition, the evolution of plant resistance to herbivores, and yield gains in agricultural crop mixtures. C1 [Kim, Tania N.; Underwood, Nora] Florida State Univ, Dept Biol Sci, Tallahassee, FL 32306 USA. RP Kim, TN (reprint author), Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA. EM tkim@glbrc.wisc.edu FU Robert K. Godfrey award in Botany; NSF [DEB-0717221] FX We thank B. D. Inouye, B. J. Spiesman, T. E. Miller, A. A. Winn, and two anonymous reviewers for helpful comments on earlier drafts of the manuscript. We also thank the staff at the Mission Road Research Facilities at Florida State University for logistical support. This research was supported by the Robert K. Godfrey award in Botany to T. N. Kim and NSF DEB-0717221 to N. Underwood. NR 38 TC 10 Z9 10 U1 10 U2 58 PU ECOLOGICAL SOC AMER PI WASHINGTON PA 1990 M STREET NW, STE 700, WASHINGTON, DC 20036 USA SN 0012-9658 EI 1939-9170 J9 ECOLOGY JI Ecology PD MAY PY 2015 VL 96 IS 5 BP 1431 EP 1437 DI 10.1890/14-1097.1 PG 7 WC Ecology SC Environmental Sciences & Ecology GA CH6BB UT WOS:000354119300026 PM 26236855 ER PT J AU Brooks, JN Elder, JD McLean, AG Rudakov, DL Stangeby, PC Wampler, WR AF Brooks, J. N. Elder, J. D. McLean, A. G. Rudakov, D. L. Stangeby, P. C. Wampler, W. R. TI Analysis of a tungsten sputtering experiment in DIII-D and code/data validation of high redeposition/reduced erosion SO FUSION ENGINEERING AND DESIGN LA English DT Article DE Sputtering; Erosion/redeposition; Tungsten divertor; Plasma material interaction modeling ID DIVERTOR AB We analyze a DIII-D tokamak experiment where two tungsten spots on the removable DiMES divertor probe were exposed to 12 s of attached plasma conditions, with moderate strike point temperature and density (similar to 20 eV, similar to 4.5 x 10(19) m(-3)), and 3% carbon impurity content. Both very small (1 mm diameter) and small (I cm diameter) deposited samples were used for assessing gross and net tungsten sputtering erosion. The analysis uses a 3-D erosion/redeposition code package (REDEP/WBC), with input from a diagnostic-calibrated near-surface plasma code (OEDGE), and with focus on charge state resolved impinging carbon ion flux and energy. The tungsten surfaces are primarily sputtered by the carbon, in charge states +1 10 +4. We predict high redeposition (similar to 75%) of sputtered tungsten on the 1 cm spot with consequent reduced net erosion and this agrees well with post-exposure DiMES probe RBS analysis data. This study and recent related work is encouraging for erosion lifetime and non-contamination performance of tokamak reactor high-Z plasma facing components. (C) 2015 Elsevier B.V. All rights reserved. C1 [Brooks, J. N.] Purdue Univ, W Lafayette, IN 47907 USA. [Elder, J. D.; Stangeby, P. C.] Univ Toronto, Inst Aerosp Studies, Toronto, ON, Canada. [McLean, A. G.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Rudakov, D. L.] Univ Calif San Diego, San Diego, CA 92103 USA. [Wampler, W. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Brooks, JN (reprint author), Purdue Univ, W Lafayette, IN 47907 USA. EM brooksjn@purdue.edu FU U.S. Department of Energy, Office of Science/Office of Fusion Energy Sciences; DIII-D National Fusion Facility, a DOE Office of Science user facility [DE-AC52-07NA27344, DE-FC02-04ER54698, DE-FG02-07ER54917, DE-AC04-94AL85000]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Work supported by the U.S. Department of Energy, Office of Science/Office of Fusion Energy Sciences, in part using the DIII-D National Fusion Facility, a DOE Office of Science user facility, under Awards DE-AC52-07NA27344, DE-FC02-04ER54698, DE-FG02-07ER54917, and DE-AC04-94AL85000. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 17 TC 0 Z9 0 U1 3 U2 6 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 MAY PY 2015 VL 94 BP 67 EP 71 DI 10.1016/j.fusengdes.2015.03.022 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CH6LG UT WOS:000354147500009 ER PT J AU Elrick-Barr, CE Smith, TF Thomsen, DC Preston, BL AF Elrick-Barr, Carmen E. Smith, Timothy F. Thomsen, Dana C. Preston, Benjamin L. TI Perceptions of Risk among Households in Two Australian Coastal Communities SO GEOGRAPHICAL RESEARCH LA English DT Article DE climate change; adaptation; vulnerable; environment; hazard ID SEA-LEVEL RISE; CLIMATE-CHANGE; ENVIRONMENTAL RISKS; ADAPTATION; VULNERABILITY; RESPONSES; SUSTAINABILITY; STRATEGIES; RESOURCES; ATTITUDES AB There is limited knowledge of risk perceptions in coastal communities despite their vulnerability to a range of risks including the impacts of climate change. A survey of 400 households in two Australian coastal communities, combined with semi-structured interviews, provides insight into household perceptions of the relative importance of climatic and non-climatic risks and the subsequent risk priorities that may inform household adaptive action. In contrast to previous research, the results demonstrated that geographic location and household characteristics might not affect perceptions of vulnerability to environmental hazards. However, past experience was a significant influence, raising the priority of environmental concerns. Overall, the results highlight the priority concerns of coastal households (from finance, to health and environment) and suggest to increase the profile of climate issues in coastal communities climate change strategies need to better demonstrate links between climate vulnerability and other household concerns. Furthermore, promoting generic capacities in isolation from understanding the context in which households construe climate risks is unlikely to yield the changes required to decrease the vulnerability of coastal communities. C1 [Elrick-Barr, Carmen E.; Smith, Timothy F.; Thomsen, Dana C.] Univ Sunshine Coast, Sustainabil Res Ctr, Sippy Downs, Qld 4556, Australia. [Preston, Benjamin L.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. RP Elrick-Barr, CE (reprint author), Univ Sunshine Coast, Sustainabil Res Ctr, 90 Sippy Downs Dr, Sippy Downs, Qld 4556, Australia. EM celrick@usc.edu.au RI Preston, Benjamin/B-9001-2012 OI Preston, Benjamin/0000-0002-7966-2386 FU Australian Research Council (ARC) [DP1093583] FX This research was supported by the Australian Research Council (ARC) through the project 'Community Vulnerability and Extreme Events: Development of a Typology of Coastal Settlement Vulnerability to Aid Adaptation Strategies' (DP1093583). NR 82 TC 1 Z9 1 U1 1 U2 14 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1745-5863 EI 1745-5871 J9 GEOGR RES-AUST JI Geogr. Res. PD MAY PY 2015 VL 53 IS 2 BP 145 EP 159 DI 10.1111/1745-5871.12106 PG 15 WC Geography SC Geography GA CH4DY UT WOS:000353983700005 ER PT J AU Bandilla, KW Celia, MA Birkholzer, JT Cihan, A Leister, EC AF Bandilla, Karl W. Celia, Michael A. Birkholzer, Jens T. Cihan, Abdullah Leister, Evan C. TI Multiphase Modeling of Geologic Carbon Sequestration in Saline Aquifers SO GROUNDWATER LA English DT Review ID CO2 STORAGE; POROUS-MEDIA; INVASION PERCOLATION; RESERVOIR CHARACTERIZATION; ILLINOIS BASIN; NORTH-SEA; INJECTION; MIGRATION; SLEIPNER; SIMULATION AB Geologic carbon sequestration (GCS) is being considered as a climate change mitigation option in many future energy scenarios. Mathematical modeling is routinely used to predict subsurface CO2 and resident brine migration for the design of injection operations, to demonstrate the permanence of CO2 storage, and to show that other subsurface resources will not be degraded. Many processes impact the migration of CO2 and brine, including multiphase flow dynamics, geochemistry, and geomechanics, along with the spatial distribution of parameters such as porosity and permeability. In this article, we review a set of multiphase modeling approaches with different levels of conceptual complexity that have been used to model GCS. Model complexity ranges from coupled multiprocess models to simplified vertical equilibrium (VE) models and macroscopic invasion percolation models. The goal of this article is to give a framework of conceptual model complexity, and to show the types of modeling approaches that have been used to address specific GCS questions. Application of the modeling approaches is shown using five ongoing or proposed CO2 injection sites. For the selected sites, the majority of GCS models follow a simplified multiphase approach, especially for questions related to injection and local-scale heterogeneity. Coupled multiprocess models are only applied in one case where geomechanics have a strong impact on the flow. Owing to their computational efficiency, VE models tend to be applied at large scales. A macroscopic invasion percolation approach was used to predict the CO2 migration at one site to examine details of CO2 migration under the caprock. C1 [Bandilla, Karl W.; Celia, Michael A.; Leister, Evan C.] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. [Birkholzer, Jens T.; Cihan, Abdullah] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Bandilla, KW (reprint author), Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. EM bandilla@princeton.edu RI Birkholzer, Jens/C-6783-2011; Cihan, Abdullah/D-3704-2015 OI Birkholzer, Jens/0000-0002-7989-1912; FU Department of Energy [DE-FE009563]; National Science Foundation [EAR-0934722]; Environmental Protection Agency [RD-83438501]; Carbon Mitigation Initiative at Princeton University; Assistant Secretary for Fossil Energy, Office of Sequestration, Hydrogen, and Clean Coal Fuels, through the National Energy Technology Laboratory, under the USDOE [DE-AC02-05CH11231] FX This work was supported in part by the Department of Energy under Award No. DE-FE009563; the National Science Foundation under Grant EAR-0934722; the Environmental Protection Agency under Cooperative Agreement RD-83438501; and the Carbon Mitigation Initiative at Princeton University. Funding to Lawrence Berkeley National Laboratory was provided by the Assistant Secretary for Fossil Energy, Office of Sequestration, Hydrogen, and Clean Coal Fuels, through the National Energy Technology Laboratory, under the USDOE contract DE-AC02-05CH11231. NR 92 TC 6 Z9 6 U1 3 U2 31 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0017-467X EI 1745-6584 J9 GROUNDWATER JI Groundwater PD MAY-JUN PY 2015 VL 53 IS 3 BP 362 EP 377 DI 10.1111/gwat.12315 PG 16 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA CH6CQ UT WOS:000354123800005 PM 25662534 ER PT J AU Bianchi, M Liu, HH Birkholzer, JT AF Bianchi, Marco Liu, Hui-Hai Birkholzer, Jens T. TI Radionuclide Transport Behavior in a Generic Geological Radioactive Waste Repository SO GROUNDWATER LA English DT Article ID EXCAVATION DAMAGED ZONE; HYDRAULIC-PROPERTIES; MEUSE/HAUTE-MARNE; POROUS-MEDIA; BOOM CLAY; DIFFUSION; ROCK; BOREHOLES; DISPOSAL; POROSITY AB We performed numerical simulations of groundwater flow and radionuclide transport to study the influence of several factors, including the ambient hydraulic gradient, groundwater pressure anomalies, and the properties of the excavation damaged zone (EDZ), on the prevailing transport mechanism (i.e., advection or molecular diffusion) in a generic nuclear waste repository within a clay-rich geological formation. By comparing simulation results, we show that the EDZ plays a major role as a preferential flowpath for radionuclide transport. When the EDZ is not taken into account, transport is dominated by molecular diffusion in almost the totality of the simulated domain, and transport velocity is about 40% slower. Modeling results also show that a reduction in hydraulic gradient leads to a greater predominance of diffusive transport, slowing down radionuclide transport by about 30% with respect to a scenario assuming a unit gradient. In addition, inward flow caused by negative pressure anomalies in the clay-rich formation further reduces transport velocity, enhancing the ability of the geological barrier to contain the radioactive waste. On the other hand, local high gradients associated with positive pressure anomalies can speed up radionuclide transport with respect to steady-state flow systems having the same regional hydraulic gradients. Transport behavior was also found to be sensitive to both geometrical and hydrogeological parameters of the EDZ. Results from this work can provide useful knowledge toward correctly assessing the post-closure safety of a geological disposal system. C1 [Bianchi, Marco; Liu, Hui-Hai; Birkholzer, Jens T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Bianchi, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM mbianchi@lbl.gov RI Birkholzer, Jens/C-6783-2011 OI Birkholzer, Jens/0000-0002-7989-1912 FU Used Fuel Disposition Campaign, Office of Nuclear Energy, of the U.S. Department of Energy [DE-AC02-05CH11231]; Lawrence Berkeley National Lab FX Funding for this work was provided by the Used Fuel Disposition Campaign, Office of Nuclear Energy, of the U.S. Department of Energy under Contract Number DE-AC02-05CH11231 with the Lawrence Berkeley National Lab. We also thank three anonymous reviewers and the associate editor for helpful comments and suggestions in improving the content of this paper. NR 39 TC 1 Z9 1 U1 1 U2 11 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0017-467X EI 1745-6584 J9 GROUNDWATER JI Groundwater PD MAY-JUN PY 2015 VL 53 IS 3 BP 440 EP 451 DI 10.1111/gwat.12171 PG 12 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA CH6CQ UT WOS:000354123800012 PM 24571606 ER PT J AU Malama, B Kuhlman, KL AF Malama, Bwalya Kuhlman, Kristopher L. TI Unsaturated Hydraulic Conductivity Models Based on Truncated Lognormal Pore-Size Distributions SO GROUNDWATER LA English DT Article AB We develop a closed-form three-parameter model for unsaturated hydraulic conductivity associated with the Kosugi three-parameter lognormal moisture retention model. The model derivation uses a slight modification to Mualem's theory, which is nearly exact for nonclay soils. Kosugi's three-parameter lognormal moisture retention model uses physically meaningful parameters, but a corresponding closed-form relative hydraulic conductivitymodel has never been developed. The model is further extended to a four-parameter model by truncating the underlying pore-size distribution at physically permissible minimum and maximum pore radii. The proposed closed-form models are fitted to well-known experimental data to illustrate their utility. They have the same physical basis as Kosugi's two-parameter model, but are more general. C1 [Malama, Bwalya] Sandia Natl Labs, Performance Assessment Dept, Carlsbad, NM 88220 USA. [Kuhlman, Kristopher L.] Sandia Natl Labs, Appl Syst Anal & Res Dept, Albuquerque, NM 87185 USA. RP Malama, B (reprint author), Sandia Natl Labs, Performance Assessment Dept, Carlsbad, NM 88220 USA. EM bnmalam@sandia.gov OI Kuhlman, Kristopher/0000-0003-3397-3653 FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 13 TC 1 Z9 1 U1 0 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0017-467X EI 1745-6584 J9 GROUNDWATER JI Groundwater PD MAY-JUN PY 2015 VL 53 IS 3 BP 498 EP 502 DI 10.1111/gwat.12220 PG 5 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA CH6CQ UT WOS:000354123800018 PM 24842226 ER PT J AU Sydoruk, O Choonee, K Dyer, GC AF Sydoruk, Oleksiy Choonee, Kaushal Dyer, Gregory C. TI Transmission and Reflection of Terahertz Plasmons in Two-Dimensional Plasmonic Devices SO IEEE TRANSACTIONS ON TERAHERTZ SCIENCE AND TECHNOLOGY LA English DT Article DE Mode decomposition; plasmon; two-dimensional channel; 2DEG ID FIELD-EFFECT TRANSISTOR; INVERSION-LAYERS; ELECTRON-GAS; WAVE-GUIDE; GENERATION; INSTABILITY; EXCITATION; RADIATION; GAAS AB Plasmons in two-dimensional semiconductor devices will be reflected by discontinuities, notably, junctions between gated and non-gated electron channels. The transmitted and reflected plasmons can form spatially- and frequency-varying signals, and their understanding is important for the design of terahertz detectors, oscillators, and plasmonic crystals. Using mode decomposition, we studied terahertz plasmons incident on a junction between a gated and a nongated channel. The plasmon reflection and transmission coefficients were found numerically and analytically and studied between 0.3 and 1 THz for a range of electron densities. At higher frequencies, we could describe the plasmons by a simplified model of channels in homogeneous dielectrics, for which the analytical approximations were accurate. At low frequencies, however, the full geometry and mode spectrum had to be taken into account. The results agreed with simulations by the finite-element method. Mode decomposition thus proved to be a powerful method for plasmonic devices, combining the rigor of complete solutions of Maxwell's equations with the convenience of analytical expressions. C1 [Sydoruk, Oleksiy] Univ London Imperial Coll Sci Technol & Med, Dept Elect & Elect Engn, London SW7 2AZ, England. [Choonee, Kaushal] Natl Phys Lab, Teddington TW11 0LW, Middx, England. [Dyer, Gregory C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sydoruk, O (reprint author), Univ London Imperial Coll Sci Technol & Med, Dept Elect & Elect Engn, London SW7 2AZ, England. EM osydoruk@imperial.ac.uk; kaushal.choonee@npl.co.uk; gcdyer@sandia.gov FU DOE Office of Basic Energy Sciences; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported in part by the DOE Office of Basic Energy Sciences. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 44 TC 4 Z9 4 U1 4 U2 22 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-342X J9 IEEE T THZ SCI TECHN JI IEEE Trans. Terahertz Sci. Technol. PD MAY PY 2015 VL 5 IS 3 SI SI BP 486 EP 496 DI 10.1109/TTHZ.2015.2405919 PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA CH3AE UT WOS:000353897000024 ER PT J AU Huang, EY Inoue, T Leone, VA Dalal, S Touw, K Wang, YW Musch, MW Theriault, B Higuchi, K Donovan, S Gilbert, J Chang, EB AF Huang, Edmond Y. Inoue, Takuya Leone, Vanessa A. Dalal, Sushila Touw, Ketrija Wang, Yunwei Musch, Mark W. Theriault, Betty Higuchi, Kazuhide Donovan, Sharon Gilbert, Jack Chang, Eugene B. TI Using Corticosteroids to Reshape the Gut Microbiome: Implications for Inflammatory Bowel Diseases SO INFLAMMATORY BOWEL DISEASES LA English DT Article DE animal models of IBD; inflammation in IBD; microbiology of IBD; steroids in IBD ID NF-KAPPA-B; ULCERATIVE-COLITIS; IMMUNE-SYSTEM; MICE; MUCIN; BACTERIA; COLON; OBESITY; GLUCOCORTICOIDS; DEXAMETHASONE AB Background:Commensal gut microbiota play an important role in regulating metabolic and inflammatory conditions. Reshaping intestinal microbiota through pharmacologic means may be a viable treatment option. We sought to delineate the functional characteristics of glucocorticoid-mediated alterations on gut microbiota and their subsequent repercussions on host mucin regulation and colonic inflammation.Methods:Adult male C57Bl/6 mice, germ-free, Muc2-heterozygote (), or Muc2-knockout (-/-) were injected with dexamethasone, a synthetic glucocorticoid, for 4 weeks. Fecal samples were collected for gut microbiota analysis through 16S rRNA terminal restriction fragment length polymorphism and amplicon sequencing. Intestinal mucosa was collected for mucin gene expression studies. Germ-free mice were conventionalized with gut microbes from treated and nontreated groups to determine their functional capacities in recipient hosts.Results:Exposure to dexamethasone in wild-type mice led to substantial shifts in gut microbiota over a 4-week period. Furthermore, a significant downregulation of colonic Muc2 gene expression was observed after treatment. Muc2-knockout mice harbored a proinflammatory environment of gut microbes, characterized by the increase or decrease in prevalence of specific microbiota populations such as Clostridiales and Lactobacillaceae, respectively. This colitogenic phenotype was transmissible to IL10-knockout mice, a genetically susceptible model of colonic inflammatory disorders. Microbiota from donors pretreated with dexamethasone, however, ameliorated symptoms of inflammation.Conclusions:Commensal gut bacteria may be a key mediator of the anti-inflammatory effects observed in the large intestine after glucocorticoid exposure. These findings underscore the notion that intestinal microbes comprise a microbial organ essential for host physiology that can be targeted by therapeutic approaches to restore intestinal homeostasis. C1 [Huang, Edmond Y.; Leone, Vanessa A.; Dalal, Sushila; Touw, Ketrija; Wang, Yunwei; Musch, Mark W.; Chang, Eugene B.] Univ Chicago, Dept Med, Knapp Ctr Biomed Discovery, Chicago, IL 60637 USA. [Inoue, Takuya; Higuchi, Kazuhide] Osaka Med Coll, Dept Internal Med 2, Takatsuki, Osaka 569, Japan. [Theriault, Betty] Univ Chicago, Dept Surg, Chicago, IL 60637 USA. [Donovan, Sharon] Univ Illinois, Dept Food Sci & Human Nutr, Urbana, IL 61801 USA. [Gilbert, Jack] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Gilbert, Jack] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Gilbert, Jack] Marine Biol Lab, Woods Hole, MA 02543 USA. [Gilbert, Jack] Zhejiang Univ, Coll Environm & Resource Sci, Hangzhou 310003, Zhejiang, Peoples R China. RP Chang, EB (reprint author), Univ Chicago, Dept Med, Knapp Ctr Biomed Discovery, 5841 S Maryland Ave, Chicago, IL 60637 USA. EM echang@medicine.bsd.uchicago.edu FU NIDDK Digestive Disease Research Center [DK-42086]; NIH [DK097268, T32 DK07074, DK47722]; Gastrointestinal Research Foundation; NIDDK [UH3DK083993]; Harry and Leone Helmsley Charitable Trust FX Supported by NIDDK Digestive Disease Research Center DK-42086 (EBC), NIH grants DK097268, T32 DK07074, and DK47722 (EBC), the Gastrointestinal Research Foundation, NIDDK UH3DK083993 (EBC), and the Harry and Leone Helmsley Charitable Trust. NR 64 TC 7 Z9 7 U1 7 U2 20 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA SN 1078-0998 EI 1536-4844 J9 INFLAMM BOWEL DIS JI Inflamm. Bowel Dis. PD MAY PY 2015 VL 21 IS 5 BP 963 EP 972 DI 10.1097/MIB.0000000000000332 PG 10 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA CH5FU UT WOS:000354061500003 PM 25738379 ER PT J AU Chang, H Zhou, Y Borowsky, A Barner, K Spellman, P Parvin, B AF Chang, Hang Zhou, Yin Borowsky, Alexander Barner, Kenneth Spellman, Paul Parvin, Bahram TI Stacked Predictive Sparse Decomposition for Classification of Histology Sections SO INTERNATIONAL JOURNAL OF COMPUTER VISION LA English DT Article DE Tissue histology; Classification; Sparse coding; Unsupervised feature learning ID IMAGE CLASSIFICATION; RECOGNITION; MULTIFORME AB Image-based classification of histology sections, in terms of distinct components (e.g., tumor, stroma, normal), provides a series of indices for histology composition (e.g., the percentage of each distinct components in histology sections), and enables the study of nuclear properties within each component. Furthermore, the study of these indices, constructed from each whole slide image in a large cohort, has the potential to provide predictive models of clinical outcome. For example, correlations can be established between the constructed indices and the patients' survival information at cohort level, which is a fundamental step towards personalized medicine. However, performance of the existing techniques is hindered as a result of large technical variations (e.g., variations of color/textures in tissue images due to non-standard experimental protocols) and biological heterogeneities (e.g., cell type, cell state) that are always present in a large cohort. We propose a system that automatically learns a series of dictionary elements for representing the underlying spatial distribution using stacked predictive sparse decomposition. The learned representation is then fed into the spatial pyramid matching framework with a linear support vector machine classifier. The system has been evaluated for classification of distinct histological components for two cohorts of tumor types. Throughput has been increased by using of graphical processing unit (GPU), and evaluation indicates a superior performance results, compared with previous research. C1 [Chang, Hang; Zhou, Yin; Parvin, Bahram] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Chang, Hang; Parvin, Bahram] Univ Calif Riverside, Dept Elect & Comp Engn, Riverside, CA 92521 USA. [Parvin, Bahram] Univ Nevada, Dept Biomed Engn, Reno, NV 89557 USA. [Spellman, Paul] Oregon Hlth & Sci Univ, Ctr Spatial Syst Biomed, Portland, OR USA. [Borowsky, Alexander] Univ Calif Davis, Ctr Comparat Med, Davis, CA USA. [Barner, Kenneth] Univ Delaware, ECE Dept, Newark, DE USA. RP Chang, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. EM hchang@lbl.gov; yinzhou@lbl.gov; adborowsky@ucdavis.edu; barner@udel.edu; spellmap@ohsu.edu; b_parvin@lbl.gov FU National Institute of Health (NIH) [U24 CA1437991]; NIH at Lawrence Berkeley National Laboratory [R01 CA140663, DE-AC02-05CH11231] FX This work was supported by National Institute of Health (NIH) U24 CA1437991 and NIH R01 CA140663 carried out at Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231. NR 43 TC 3 Z9 4 U1 3 U2 9 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0920-5691 EI 1573-1405 J9 INT J COMPUT VISION JI Int. J. Comput. Vis. PD MAY PY 2015 VL 113 IS 1 SI SI BP 3 EP 18 DI 10.1007/s11263-014-0790-9 PG 16 WC Computer Science, Artificial Intelligence SC Computer Science GA CH6GX UT WOS:000354135700002 PM 27721567 ER PT J AU Lee, JG Borst, M Brown, RA Rossman, L Simon, MA AF Lee, Joong Gwang Borst, Michael Brown, Robert A. Rossman, Lewis Simon, Michelle A. TI Modeling the Hydrologic Processes of a Permeable Pavement System SO JOURNAL OF HYDROLOGIC ENGINEERING LA English DT Article DE Urban stormwater management; Mathematical models; Infiltration; Exfiltration; Clogging; Best management practice (BMP); Low impact development (LID); Green infrastructure (GI); Permeable pavement ID GREEN-AMPT INFILTRATION; STORMWATER; REDISTRIBUTION; EVOLUTION; SOILS; WATER AB A permeable pavement system can capture stormwater to reduce runoff volume and flow rate, improve onsite groundwater recharge, and enhance pollutant controls within the site. A new unit process model for evaluating the hydrologic processes of a permeable pavement system has been developed in this study. The developed model can continuously simulate infiltration through the permeable pavement surface, exfiltration from the storage to the surrounding in situ soils, and clogging impacts on infiltration/exfiltration capacity at the pavement surface and the bottom of the subsurface storage unit. The exfiltration modeling component simulates vertical and horizontal exfiltration independently based on Darcy's formula with elaborating Green-Ampt approximation. The developed model can be arranged with physically-based modeling parameters, such as hydraulic conductivity, Manning's friction flow parameters, saturated and field capacity volumetric water contents, porosity, and density. The developed model was calibrated using high-frequency observed data. The modeled water depths are well matched with the observed values (R2=0.89; Nash-Sutcliffecoeff.=0.90). The modeling results show that horizontal exfiltration through the side walls of the subsurface storage unit is a prevailing factor in determining the hydrologic performance of the system, especially where the storage unit is developed in a long, narrow shape; or with a high risk of bottom compaction and clogging. C1 [Lee, Joong Gwang] Ctr Urban Green Infrastruct Engn, Cincinnati, OH 45242 USA. [Borst, Michael] US EPA, Natl Risk Management Res Lab, Edison, NJ 08837 USA. [Brown, Robert A.] Oak Ridge Inst Sci & Educ, Edison, NJ 08837 USA. [Brown, Robert A.] US EPA, Edison, NJ 08837 USA. [Rossman, Lewis; Simon, Michelle A.] US EPA, Natl Risk Management Res Lab, Cincinnati, OH 45268 USA. RP Lee, JG (reprint author), Ctr Urban Green Infrastruct Engn, 9975 Walnutridge Ct, Cincinnati, OH 45242 USA. EM jglee@ugiengineering.com NR 47 TC 3 Z9 3 U1 4 U2 51 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 1084-0699 EI 1943-5584 J9 J HYDROL ENG JI J. Hydrol. Eng. PD MAY PY 2015 VL 20 IS 5 AR 04014070 DI 10.1061/(ASCE)HE.1943-5584.0001088 PG 12 WC Engineering, Civil; Environmental Sciences; Water Resources SC Engineering; Environmental Sciences & Ecology; Water Resources GA CH4HU UT WOS:000353995400014 ER PT J AU Mernild, SH Holland, DM Holland, D Rosing-Asvid, A Yde, JC Liston, GE Steffen, K AF Mernild, Sebastian H. Holland, David M. Holland, Denise Rosing-Asvid, Aqqalu Yde, Jacob C. Liston, Glen E. Steffen, Konrad TI Freshwater Flux and Spatiotemporal Simulated Runoff Variability into Ilulissat Icefjord, West Greenland, Linked to Salinity and Temperature Observations near Tidewater Glacier Margins Obtained Using Instrumented Ringed Seals SO JOURNAL OF PHYSICAL OCEANOGRAPHY LA English DT Article ID MARINE-TERMINATING GLACIERS; RIVER DISCHARGE SIMULATIONS; ICE-SHEET; JAKOBSHAVN ISBRAE; AMMASSALIK ISLAND; SE GREENLAND; MASS-BALANCE; MITTIVAKKAT GLACIER; OCEAN WATERS; NORTHEAST GREENLAND AB The distribution of terrestrial surface runoff to Ilulissat Icefjord, west Greenland, is simulated for the period 2009-13 to better emphasize the spatiotemporal variability in freshwater flux and the link between runoff spikes and observed hydrographic conditions at theGreenland Ice Sheet tidewater glacier margins. Runoffmodel simulations were forced with automatic weather station data and verified against snow water equivalent depth, equilibrium line altitude, and quasi-continuous salinity and temperature observations obtained by ringed seals. Instrumented seals provide a novel platform to examine the otherwise inaccessible waters beneath the dense ice melange within the first 0-10 km of the calving front. The estimated mean freshwater flux from land was 70.6 +/- 4.2 km(3) yr(-1), with an 85% contribution of ice discharge from Jakobshavn Isbrae (also known as SermeqKujalleq), 14% from runoff, and the remaining 1% from precipitation on the fjord surface area, subglacial geothermal melting, and frictional melting due to basal ice motion. Runoff was simulated to be present from May to November and to vary spatially according to glacier cover and individual catchment size. Salinity and temperature observations correlate (significantly) with simulated runoff for the upper part of both the main fjord and southern fjord arm. Also, at the tidewater glacier margins in the northern and southern arm of Ilulissat Icefjord, salinity changes in the upper water column (upper 50 m) are significant after temporal spikes in runoff during late summer, while small-amplitude runoff variability during the recession of runoff did not create a clear signal in observed salinity variability. Also, in the southern arm near the glacier margin (between 100- and 150-m depth), the heterogeneous distribution in salinity could be because of the mixing of meltwater going upward from passing the grounding line. The effect of runoff spikes on observed salinity is less pronounced near the ice margin of Jakobshavn Isbrae than in the north and south arms. C1 [Mernild, Sebastian H.] Ctr Estudios Cient, Glaciol & Climate Change Lab, Ctr Sci Studies, Valdivia 5110466, Chile. [Mernild, Sebastian H.] Los Alamos Natl Lab, Climate Ocean Sea Ice Modeling Grp Computat Phys, Los Alamos, NM USA. [Holland, David M.] NYU, Courant Inst Math Sci, New York, NY USA. [Holland, David M.; Holland, Denise] New York Univ Abu Dhabi, Ctr Global Sea Level Change, Abu Dhabi, U Arab Emirates. [Rosing-Asvid, Aqqalu] Greenland Inst Nat Resources, Nuuk, Greenland. [Yde, Jacob C.] Sogn og Fjordane Univ Coll, Sogndal, Norway. [Liston, Glen E.] Colorado State Univ, Cooperat Inst Res Atmosphere, Ft Collins, CO 80523 USA. [Steffen, Konrad] Swiss Fed Res Inst WSL, Birmensdorf, Switzerland. [Steffen, Konrad] Swiss Fed Inst Technol, Inst Atmosphere & Climate, Zurich, Switzerland. [Steffen, Konrad] Ecole Polytech Fed Lausanne, Architecture Civil & Environm Engn, Lausanne, Switzerland. RP Mernild, SH (reprint author), Ctr Estudios Cient, Glaciol & Climate Change Lab, Ctr Sci Studies, Ave Arturo Prat 514, Valdivia 5110466, Chile. EM smernild@gmail.com RI Steffen, Konrad/C-6027-2013; OI Steffen, Konrad/0000-0001-8658-1026; Yde, Jacob Clement/0000-0002-6211-2601 FU Earth System Modeling program of the Office of Biological and Environmental Research within the U.S. Department of Energy's Office of Science; New York University; New York University Abu Dhabi under the Center for Global Sea-Level Change (CSLC) [G1204] FX We thank the two anonymous reviewers for their valuable comments. We thank the Danish Meteorological Institute, Greenland Climate Network (GC-Net), and New York University for providing meteorological data for this study. Ian Joughin is acknowledged for providing information about the satellite-derived locations of the Jakobshavn Isbrae terminus in mid/late summer 2009-13. The beginning of this work came out of two visits to New York University [February 2011 (2 weeks) and January 2012 (1 week)], supported by the Earth System Modeling program of the Office of Biological and Environmental Research within the U.S. Department of Energy's Office of Science, while S.H.M. was working at Los Alamos National Laboratory. Otherwise, this study has been funded entirely by New York University and New York University Abu Dhabi under the Center for Global Sea-Level Change (CSLC) Grant G1204. Request of spatiotemporal simulated runoff data should be addressed to the first author. NR 73 TC 2 Z9 2 U1 1 U2 11 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0022-3670 EI 1520-0485 J9 J PHYS OCEANOGR JI J. Phys. Oceanogr. PD MAY PY 2015 VL 45 IS 5 BP 1426 EP 1445 DI 10.1175/JPO-D-14-0217.1 PG 20 WC Oceanography SC Oceanography GA CH9QK UT WOS:000354370700013 ER PT J AU Alonso-Mori, R Sokaras, D Zhu, DL Kroll, T Chollet, M Feng, YP Glownia, JM Kern, J Lemke, HT Nordlund, D Robert, A Sikorski, M Song, S Weng, TC Bergmann, U AF Alonso-Mori, Roberto Sokaras, Dimosthenis Zhu, Diling Kroll, Thomas Chollet, Mathieu Feng, Yiping Glownia, James M. Kern, Jan Lemke, Henrik T. Nordlund, Dennis Robert, Aymeric Sikorski, Marcin Song, Sanghoon Weng, Tsu-Chien Bergmann, Uwe TI Photon-in photon-out hard X-ray spectroscopy at the Linac Coherent Light Source SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE FEL; hard X-ray emission spectroscopy; XES; XRS ID FREE-ELECTRON LASER; RESOLUTION FLUORESCENCE DETECTION; PHOTOSYNTHETIC WATER OXIDATION; PHOTOSYSTEM-II; EMISSION SPECTROSCOPY; RAMAN-SPECTROSCOPY; MN4CA CLUSTER; ABSORPTION SPECTROSCOPY; COORDINATION-COMPLEXES; SCATTERING AB X-ray free-electron lasers (FELs) have opened unprecedented possibilities to study the structure and dynamics of matter at an atomic level and ultra-fast timescale. Many of the techniques routinely used at storage ring facilities are being adapted for experiments conducted at FELs. In order to take full advantage of these new sources several challenges have to be overcome. They are related to the very different source characteristics and its resulting impact on sample delivery, X-ray optics, X-ray detection and data acquisition. Here it is described how photon-in photon-out hard X-ray spectroscopy techniques can be applied to study the electronic structure and its dynamics of transition metal systems with ultra-bright and ultra-short FEL X-ray pulses. In particular, some of the experimental details that are different compared with synchrotron-based setups are discussed and illustrated by recent measurements performed at the Linac Coherent Light Source. C1 [Alonso-Mori, Roberto; Zhu, Diling; Kroll, Thomas; Chollet, Mathieu; Feng, Yiping; Glownia, James M.; Kern, Jan; Lemke, Henrik T.; Robert, Aymeric; Sikorski, Marcin; Song, Sanghoon; Bergmann, Uwe] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA. [Sokaras, Dimosthenis; Nordlund, Dennis; Weng, Tsu-Chien] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Kern, Jan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Alonso-Mori, R (reprint author), SLAC Natl Accelerator Lab, Linac Coherent Light Source, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM robertoa@slac.stanford.edu RI Kroll, Thomas/D-3636-2009; Nordlund, Dennis/A-8902-2008; Lemke, Henrik Till/N-7419-2016 OI Nordlund, Dennis/0000-0001-9524-6908; Lemke, Henrik Till/0000-0003-1577-8643 FU Human Frontier Science Program [RCP0063/2013] FX TK acknowledges financial support by the Human Frontier Science Program under award RCP0063/2013. We thank Terry Anderson and Gregory Stewart for helping with the figures. 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. NR 66 TC 11 Z9 11 U1 5 U2 31 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2015 VL 22 SI SI BP 612 EP 620 DI 10.1107/S1600577515004488 PN 3 PG 9 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA CH3HL UT WOS:000353920300023 PM 25931076 ER PT J AU Feng, Y Alonso-Mori, R Barends, TRM Blank, VD Botha, S Chollet, M Damiani, DS Doak, RB Glownia, JM Koglin, JM Lemke, HT Messerschmidt, M Nass, K Nelson, S Schlichting, I Shoeman, RL Shvyd'ko, YV Sikorski, M Song, S Stoupin, S Terentyev, S Williams, GJ Zhu, D Robert, A Boutet, S AF Feng, Y. Alonso-Mori, R. Barends, T. R. M. Blank, V. D. Botha, S. Chollet, M. Damiani, D. S. Doak, R. B. Glownia, J. M. Koglin, J. M. Lemke, H. T. Messerschmidt, M. Nass, K. Nelson, S. Schlichting, I. Shoeman, R. L. Shvyd'ko, Yu. V. Sikorski, M. Song, S. Stoupin, S. Terentyev, S. Williams, G. J. Zhu, D. Robert, A. Boutet, S. TI Demonstration of simultaneous experiments using thin crystal multiplexing at the Linac Coherent Light Source SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE FEL; X-ray; multiplexing; diamond; thin-crystal ID FREE-ELECTRON LASER; X-RAY; STATION BEAMLINE; INSTRUMENT; REFLECTIVITY; SPECTROSCOPY; SOFTWARE; DYNAMICS; DIAMONDS; OPTICS AB Multiplexing of the Linac Coherent Light Source beam was demonstrated for hard X-rays by spectral division using a near-perfect diamond thin-crystal monochromator operating in the Bragg geometry. The wavefront and coherence properties of both the reflected and transmitted beams were well preserved, thus allowing simultaneous measurements at two separate instruments. In this report, the structure determination of a prototypical protein was performed using serial femtosecond crystallography simultaneously with a femtosecond time-resolved XANES studies of photoexcited spin transition dynamics in an iron spin-crossover system. The results of both experiments using the multiplexed beams are similar to those obtained separately, using a dedicated beam, with no significant differences in quality. C1 [Feng, Y.; Alonso-Mori, R.; Chollet, M.; Damiani, D. S.; Glownia, J. M.; Koglin, J. M.; Lemke, H. T.; Messerschmidt, M.; Nelson, S.; Sikorski, M.; Song, S.; Williams, G. J.; Zhu, D.; Robert, A.; Boutet, S.] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA. [Barends, T. R. M.; Botha, S.; Doak, R. B.; Nass, K.; Schlichting, I.; Shoeman, R. L.] Max Planck Inst Med Res, D-69120 Heidelberg 1, Germany. [Blank, V. D.; Terentyev, S.] Technol Inst Superhard & Novel Carbon Mat, Troitsk, Russia. [Shvyd'ko, Yu. V.; Stoupin, S.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Feng, Y (reprint author), SLAC Natl Accelerator Lab, Linac Coherent Light Source, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM yfeng@slac.stanford.edu RI Messerschmidt, Marc/F-3796-2010; Lemke, Henrik Till/N-7419-2016 OI Messerschmidt, Marc/0000-0002-8641-3302; Lemke, Henrik Till/0000-0003-1577-8643 NR 58 TC 5 Z9 5 U1 3 U2 9 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2015 VL 22 SI SI BP 626 EP 633 DI 10.1107/S1600577515003999 PN 3 PG 8 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA CH3HL UT WOS:000353920300025 PM 25931078 ER PT J AU Zhang, F Allen, AJ Levine, LE Mancini, DC Ilavsky, J AF Zhang, Fan Allen, Andrew J. Levine, Lyle E. Mancini, Derrick C. Ilavsky, Jan TI Simultaneous multiplexed materials characterization using a high-precision hard X-ray micro-slit array SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE measurement-in-parallel; simultaneous in operando characterization; heterogeneous structure; uncertainty reduction; multiplexed materials characterization ID PHOTON-CORRELATION SPECTROSCOPY; COLLOIDAL SUSPENSIONS; SCATTERING FUNCTION; NEUTRON-SCATTERING; DENTAL COMPOSITES; DYNAMICS; DIFFRACTION; INSTRUMENT; SPECKLE; SPHERES AB The needs both for increased experimental throughput and for in operando characterization of functional materials under increasingly realistic experimental conditions have emerged as major challenges across the whole of crystallography. A novel measurement scheme that allows multiplexed simultaneous measurements from multiple nearby sample volumes is presented. This new approach enables better measurement statistics or direct probing of heterogeneous structure, dynamics or elemental composition. To illustrate, the submicrometer precision that optical lithography provides has been exploited to create a multiplexed form of ultra-small-angle scattering based X-ray photon correlation spectroscopy (USAXS-XPCS) using micro-slit arrays fabricated by photolithography. Multiplexed USAXS-XPCS is applied to follow the equilibrium dynamics of a simple colloidal suspension. While the dependence of the relaxation time on momentum transfer, and its relationship with the diffusion constant and the static structure factor, follow previous findings, this measurements-in-parallel approach reduces the statistical uncertainties of this photon-starved technique to below those associated with the instrument resolution. More importantly, we note the potential of the multiplexed scheme to elucidate the response of different components of a heterogeneous sample under identical experimental conditions in simultaneous measurements. In the context of the X-ray synchrotron community, this scheme is, in principle, applicable to all in-line synchrotron techniques. Indeed, it has the potential to open a new paradigm for in operando characterization of heterogeneous functional materials, a situation that will be even further enhanced by the ongoing development of multi-bend achromat storage ring designs as the next evolution of large-scale X-ray synchrotron facilities around the world. C1 [Zhang, Fan; Allen, Andrew J.; Levine, Lyle E.] NIST, Mat Measurement Lab, Gaithersburg, MD 20899 USA. [Mancini, Derrick C.] IIT, Dept Phys, Chicago, IL 60616 USA. [Ilavsky, Jan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Zhang, F (reprint author), NIST, Mat Measurement Lab, 100 Bur Dr,Stop 6520, Gaithersburg, MD 20899 USA. EM fan.zhang@nist.gov RI Ilavsky, Jan/D-4521-2013 OI Ilavsky, Jan/0000-0003-1982-8900 FU National Science Foundation/Department of Energy [NSF/CHE-1346572]; US DOE [DE-AC02-06CH11357] FX We thank Ralu Divan and Christina Suzanne Miller for their assistance in the fabrication of the slit arrays and Maureen Williams for her generous help in the SEM characterization of the slit arrays. ChemMatCARS Sector 15 is principally supported by the National Science Foundation/Department of Energy under grant number NSF/CHE-1346572. Use of the Advanced Photon Source and the Center for Nanoscale Materials, Office of Science User Facilities 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 42 TC 1 Z9 1 U1 1 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0909-0495 EI 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2015 VL 22 SI SI BP 653 EP 660 DI 10.1107/S1600577515005378 PN 3 PG 8 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA CH3HL UT WOS:000353920300028 PM 25931081 ER PT J AU Yashchuk, VV Morrison, GY Marcus, MA Domning, EE Merthe, DJ Salmassi, F Smith, BV AF Yashchuk, Valeriy V. Morrison, Gregory Y. Marcus, Matthew A. Domning, Edward E. Merthe, Daniel J. Salmassi, Farhad Smith, Brian V. TI Performance optimization of a bendable parabolic cylinder collimating X-ray mirror for the ALS micro-XAS beamline 10.3.2 SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE X-ray mirrors; bendable mirrors; at-wavelength metrology; optimal surface shaping AB The Advanced Light Source (ALS) beamline (BL) 10.3.2 is an apparatus for X-ray microprobe spectroscopy and diffraction experiments, operating in the energy range 2.4-17 keV. The performance of the beamline, namely the spatial and energy resolutions of the measurements, depends significantly on the collimation quality of light incident on the monochromator. In the BL 10.3.2 end-station, the synchrotron source is imaged 1:1 onto a set of roll slits which form a virtual source. The light from this source is collimated in the vertical direction by a bendable parabolic cylinder mirror. Details are presented of the mirror design, which allows for precision assembly, alignment and shaping of the mirror, as well as for extending of the mirror operating lifetime by a factor of similar to 10. Assembly, mirror optimal shaping and preliminary alignment were performed ex situ in the ALS X-ray Optics Laboratory (XROL). Using an original method for optimal ex situ characterization and setting of bendable X-ray optics developed at the XROL, a root-mean-square (RMS) residual surface slope error of 0.31 mrad with respect to the desired parabola, and an RMS residual height error of less than 3 nm were achieved. Once in place at the beamline, deviations from the designed optical geometry (e.g. due to the tolerances for setting the distance to the virtual source, the grazing incidence angle, the transverse position) and/or mirror shape (e.g. due to a heat load deformation) may appear. Due to the errors, on installation the energy spread from the monochromator is typically a few electron-volts. Here, a new technique developed and successfully implemented for at-wavelength (in situ) fine optimal tuning of the mirror, enabling us to reduce the collimation-induced energy spread to similar to 0.05 eV, is described. C1 [Yashchuk, Valeriy V.; Marcus, Matthew A.; Merthe, Daniel J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Morrison, Gregory Y.; Domning, Edward E.; Smith, Brian V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Engn, Berkeley, CA 94720 USA. [Salmassi, Farhad] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Yashchuk, VV (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, One Cyclotron Rd,MS 15R0317, Berkeley, CA 94720 USA. EM vvyashchuk@lbl.gov FU Office of Science, Office of Basic Energy Sciences, Material Science Division, of the US Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, Material Science Division, of the US Department of Energy under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. NR 29 TC 3 Z9 3 U1 4 U2 10 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2015 VL 22 SI SI BP 666 EP 674 DI 10.1107/S1600577515001459 PN 3 PG 9 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA CH3HL UT WOS:000353920300030 PM 25931083 ER PT J AU Trueb, P Dejoie, C Kobas, M Pattison, P Peake, DJ Radicci, V Sobott, BA Walko, DA Broennimann, C AF Trueb, P. Dejoie, C. Kobas, M. Pattison, P. Peake, D. J. Radicci, V. Sobott, B. A. Walko, D. A. Broennimann, C. TI Bunch mode specific rate corrections for PILATUS3 detectors SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE PILATUS detectors; photon counting; count rate correction; Monte Carlo simulation ID BEAMLINE AB PILATUS X-ray detectors are in operation at many synchrotron beamlines around the world. This article reports on the characterization of the new PILATUS3 detector generation at high count rates. As for all counting detectors, the measured intensities have to be corrected for the dead-time of the counting mechanism at high photon fluxes. The large number of different bunch modes at these synchrotrons as well as the wide range of detector settings presents a challenge for providing accurate corrections. To avoid the intricate measurement of the count rate behaviour for every bunch mode, a Monte Carlo simulation of the counting mechanism has been implemented, which is able to predict the corrections for arbitrary bunch modes and a wide range of detector settings. This article compares the simulated results with experimental data acquired at different synchrotrons. It is found that the usage of bunch mode specific corrections based on this simulation improves the accuracy of the measured intensities by up to 40% for high photon rates and highly structured bunch modes. For less structured bunch modes, the instant retrigger technology of PILATUS3 detectors substantially reduces the dependency of the rate correction on the bunch mode. The acquired data also demonstrate that the instant retrigger technology allows for data acquisition up to 15 million photons per second per pixel. C1 [Trueb, P.; Kobas, M.; Radicci, V.; Broennimann, C.] DECTRIS Ltd, CH-5400 Baden, Switzerland. [Dejoie, C.] ETH, CH-8093 Zurich, Switzerland. [Pattison, P.] EPF Lausanne, CH-1015 Lausanne, Switzerland. [Peake, D. J.; Sobott, B. A.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Walko, D. A.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Trueb, P (reprint author), DECTRIS Ltd, CH-5400 Baden, Switzerland. EM peter.trueb@dectris.com FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX PT would like to thank Stefan Brandstetter for calibrating the detectors and Roger Schnyder for providing the Spectre netlist used for the Monte Carlo simulation. Pamela Amrein was very helpful by organizing the transport of the detectors. DJP and BAS gratefully acknowledge Nigel Kirby for optimizing the experimental setup and for maximizing the photon flux during the measurements. Use of the Advanced Photon Source is supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 10 TC 1 Z9 1 U1 1 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0909-0495 EI 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2015 VL 22 SI SI BP 701 EP 707 DI 10.1107/S1600577515003288 PN 3 PG 7 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA CH3HL UT WOS:000353920300033 PM 25931086 ER PT J AU Hertlein, MP Scholl, A Cordones, AA Lee, JH Engelhorn, K Glover, TE Barbrel, B Sun, C Steier, C Portmann, G Robin, DS AF Hertlein, M. P. Scholl, A. Cordones, A. A. Lee, J. H. Engelhorn, K. Glover, T. E. Barbrel, B. Sun, C. Steier, C. Portmann, G. Robin, D. S. TI X-rays only when you want them: optimized pump-probe experiments using pseudo-single-bunch operation SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE pump-probe spectroscopy; bunch kicking; pseudo single bunch; X-ray pulse picking; time-resolved X-ray spectroscopy; sample damage; laser/X-ray measurements; X-ray streak camera AB Laser pump-X-ray probe experiments require control over the X-ray pulse pattern and timing. Here, the first use of pseudo-single-bunch mode at the Advanced Light Source in picosecond time-resolved X-ray absorption experiments on solutions and solids is reported. In this mode the X-ray repetition rate is fully adjustable from single shot to 500 kHz, allowing it to be matched to typical laser excitation pulse rates. Suppressing undesired X-ray pulses considerably reduces detector noise and improves signal to noise in time-resolved experiments. In addition, dose-induced sample damage is considerably reduced, easing experimental setup and allowing the investigation of less robust samples. Single-shot X-ray exposures of a streak camera detector using a conventional non-gated charge-coupled device (CCD) camera are also demonstrated. C1 [Hertlein, M. P.; Scholl, A.; Cordones, A. A.; Lee, J. H.; Engelhorn, K.; Glover, T. E.; Sun, C.; Steier, C.; Portmann, G.; Robin, D. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Barbrel, B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Scholl, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM a_scholl@lbl.gov RI Scholl, Andreas/K-4876-2012 FU Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX The authors would like to thank J. Kirz for commenting on the manuscript. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract No. DE-AC02-05CH11231. NR 10 TC 2 Z9 2 U1 1 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0909-0495 EI 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2015 VL 22 SI SI BP 729 EP 735 DI 10.1107/S1600577515001770 PN 3 PG 7 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA CH3HL UT WOS:000353920300037 PM 25931090 ER PT J AU Bi, WL Zhao, JY Lin, JH Jia, QJ Hu, MY Jin, CQ Ferry, R Yang, WG Struzhkin, V Alp, EE AF Bi, Wenli Zhao, Jiyong Lin, Jung-Hi Jia, Quanjie Hu, Michael Y. Jin, Changqing Ferry, Richard Yang, Wenge Struzhkin, Viktor Alp, E. Ercan TI Nuclear resonant inelastic X-ray scattering at high pressure and low temperature SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE nuclear resonant scattering; phonon density of states; high pressure; low temperature; iron-pnictides ID DENSITY-OF-STATES; SYNCHROTRON-RADIATION; IRON; SPECTROSCOPY; DYNAMICS AB A new synchrotron radiation experimental capability of coupling nuclear resonant inelastic X-ray scattering with the cryogenically cooled high-pressure diamond anvil cell technique is presented. The new technique permits measurements of phonon density of states at low temperature and high pressure simultaneously, and can be applied to studies of phonon contribution to pressure-and temperature-induced magnetic, superconducting and metal-insulator transitions in resonant isotope-bearing materials. In this report, a pnictide sample, EuFe2As2, is used as an example to demonstrate this new capability at beamline 3-ID of the Advanced Photon Source, Argonne National Laboratory. A detailed description of the technical development is given. The Fe-specific phonon density of states and magnetism from the Fe sublattice in (EuFe2As2)-Fe-57 at high pressure and low temperature were derived by using this new capability. C1 [Bi, Wenli] Univ Illinois, Dept Geol, Urbana, IL 61801 USA. [Bi, Wenli; Zhao, Jiyong; Hu, Michael Y.; Alp, E. Ercan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Lin, Jung-Hi] Univ Texas Austin, Dept Geol Sci, Austin, TX 78712 USA. [Lin, Jung-Hi; Yang, Wenge] Ctr High Pressure Sci & Technol Adv Res HPSTAR, Shanghai 201203, Peoples R China. [Jia, Quanjie] Chinese Acad Sci, Inst High Energy Phys, Beijing 10090, Peoples R China. [Jin, Changqing] Chinese Acad Sci, Inst Phys, Beijing 10090, Peoples R China. [Ferry, Richard; Yang, Wenge] Carnegie Inst Sci, HPSynC, Argonne, IL 60439 USA. [Struzhkin, Viktor] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. RP Bi, WL (reprint author), Univ Illinois, Dept Geol, Urbana, IL 61801 USA. EM wbi@aps.anl.gov RI Lin, Jung-Fu/B-4917-2011 FU US DOE [DE-AC02-06CH11357]; Consortium for Materials Properties Research in Earth Sciences (COMPRES); US National Science Foundation [EAR-0838221]; Energy Frontier Research Center (EFree); Extreme Physics and Chemistry Directorate of the Deep Carbon Observatory (DCO); High Pressure Science and Technology Advanced Research (HPSTAR); NSF of China through the International Key Collaboration Program [11220101003]; DOE-BES X-ray Scattering Core Program [DE-FG02-99ER45775] FX We thank Sergey N. Tkachev for assistance in loading the Ne gas pressure medium at GSECARS (sector 13) at the APS. We also acknowledge J. Liu, J. Wu and J. Zhu for their technical assistance with the experiments. 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. WB is partially supported by the Consortium for Materials Properties Research in Earth Sciences (COMPRES). JFL acknowledges support from the US National Science Foundation (EAR-0838221), Energy Frontier Research Center (EFree), the Extreme Physics and Chemistry Directorate of the Deep Carbon Observatory (DCO), and High Pressure Science and Technology Advanced Research (HPSTAR). CQJ is grateful to the support for this work by NSF of China through the International Key Collaboration Program (11220101003). RF and WY acknowledge the financial support from DOE-BES X-ray Scattering Core Program under grant number DE-FG02-99ER45775. NR 44 TC 1 Z9 1 U1 3 U2 17 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2015 VL 22 SI SI BP 760 EP 765 DI 10.1107/S1600577515003586 PN 3 PG 6 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA CH3HL UT WOS:000353920300041 PM 25931094 ER PT J AU Fujiwara, H Kiss, T Wakabayashi, YK Nishitani, Y Mori, T Nakata, Y Kitayama, S Fukushima, K Ikeda, S Fuchimoto, H Minowa, Y Mo, SK Denlinger, JD Allen, JW Metcalf, P Imai, M Yoshimura, K Suga, S Muro, T Sekiyama, A AF Fujiwara, Hidenori Kiss, Takayuki Wakabayashi, Yuki K. Nishitani, Yoshito Mori, Takeo Nakata, Yuki Kitayama, Satoshi Fukushima, Kazuaki Ikeda, Shinji Fuchimoto, Hiroto Minowa, Yosuke Mo, Sung-Kwan Denlinger, Jonathan D. Allen, James W. Metcalf, Patricia Imai, Masaki Yoshimura, Kazuyoshi Suga, Shigemasa Muro, Takayuki Sekiyama, Akira TI Soft X-ray angle-resolved photoemission with micro-positioning techniques for metallic V2O3 SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE angle-resolved photoemission spectroscopy (ARPES); soft X-ray; micro-positioning; strongly correlated oxide ID TWIN-HELICAL UNDULATOR; TRANSITIONS; BEAMLINE; SPRING-8 AB Soft X-ray angle-resolved photoemission has been performed for metallic V2O3. By combining a microfocus beam (40 mu m x 65 mu m) and micro-positioning techniques with a long-working-distance microscope, it has been possible to observe band dispersions from tiny cleavage surfaces with a typical size of several tens of mu m. The photoemission spectra show a clear position dependence, reflecting the morphology of the cleaved sample surface. By selecting high-quality flat regions on the sample surface, it has been possible to perform band mapping using both photon-energy and polar-angle dependences, opening the door to three-dimensional angle-resolved photoemission spectroscopy for typical three-dimensional correlated materials where large cleavage planes are rarely obtained. C1 [Fujiwara, Hidenori; Kiss, Takayuki; Wakabayashi, Yuki K.; Mori, Takeo; Nakata, Yuki; Kitayama, Satoshi; Fukushima, Kazuaki; Ikeda, Shinji; Fuchimoto, Hiroto; Minowa, Yosuke; Sekiyama, Akira] Osaka Univ, Grad Sch Engn Sci, Toyonaka, Osaka 5608531, Japan. [Nishitani, Yoshito] Konan Univ, Fac Sci & Engn, Kobe, Hyogo 6588501, Japan. [Mo, Sung-Kwan; Allen, James W.] Univ Michigan, Randall Lab Phys, Ann Arbor, MI 48109 USA. [Mo, Sung-Kwan; Denlinger, Jonathan D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Metcalf, Patricia] Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. [Imai, Masaki; Yoshimura, Kazuyoshi] Kyoto Univ, Grad Sch Sci, Dept Chem, Sakyo, Tokyo 6068502, Japan. [Suga, Shigemasa] Osaka Univ, Inst Sci & Ind Res, Ibaraki, Osaka 5670047, Japan. [Muro, Takayuki] Japan Synchrotron Radiat Res Inst JASRI, Sayo, Hyogo 6795198, Japan. RP Fujiwara, H (reprint author), Osaka Univ, Grad Sch Engn Sci, Machikaneyama 1-3, Toyonaka, Osaka 5608531, Japan. EM fujiwara@mp.es.osaka-u.ac.jp RI Mo, Sung-Kwan/F-3489-2013; Sekiyama, Akira/G-1851-2016 OI Mo, Sung-Kwan/0000-0003-0711-8514; FU MEXT/JSPS KAKENHI [23740240]; MEXT Japan [20102003]; Toray Science Foundation FX The ARPES measurements were supported by K. Yamagami, S. Naimen and T. Matsushita. This work was supported by MEXT/JSPS KAKENHI grant No. 23740240 and the Grant-in-Aid for Innovative Areas (20102003) 'Heavy Electrons' from MEXT Japan, as well as by the Toray Science Foundation. The measurements were under the approval of the Japan Synchrotron Radiation Research Institute (2011B1348, 2012 A1486 and 2013 A1089). NR 26 TC 4 Z9 4 U1 0 U2 12 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0909-0495 EI 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAY PY 2015 VL 22 SI SI BP 776 EP 780 DI 10.1107/S1600577515003707 PN 3 PG 5 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA CH3HL UT WOS:000353920300043 PM 25931096 ER PT J AU Mhin, S Nittala, K Cozzan, C Kim, K Robinson, DS Sanchez, LM Polcawich, RG Jones, JL AF Mhin, Sungwook Nittala, Krishna Cozzan, Clayton Kim, Kyeongwon Robinson, Douglas S. Sanchez, Luz M. Polcawich, Ronald G. Jones, Jacob L. TI Role of the PbTiO3 Seed Layer on the Crystallization Behavior of PZT Thin Films SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID LEAD-ZIRCONATE-TITANATE; MICROSTRUCTURE EVOLUTION; PIEZOELECTRIC PROPERTIES; TEXTURE DEVELOPMENT; PHASE; MEMS; DIFFRACTION; DEPOSITION; KINETICS AB The role of a highly crystalline and oriented lead titanate (PTO) seed layer on the subsequent phase and texture evolution of lead zirconate titanate (PZT) thin films is investigated in situ using X-ray diffraction (XRD) during crystallization. Crystalline PTO seed layers were first prepared via a 2-methoxyethanol route. Amorphous PZT with a Zr/Ti ratio of 52/48 was then deposited on the seed layer using the same synthesis route and subsequently crystallized in situ during XRD. During heating, a tetragonal-to-cubic transformation of the seed layer occurs prior to the formation of perovskite PZT. Subsequent nucleation of the crystalline PZT occurs in the cubic phase. Simultaneous to nucleation of PZT, development of a dominant 100 texture component was observed in the PZT phase of the thin films. The results indicate that 100 textured PTO nucleates 100 texture of PZT thin films during crystallization. C1 [Mhin, Sungwook; Nittala, Krishna; Cozzan, Clayton; Kim, Kyeongwon] Korea Inst Ind Technol, Inchon 406840, South Korea. [Robinson, Douglas S.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Sanchez, Luz M.; Polcawich, Ronald G.] US Army Res Lab, PiezoMEMS, Adelphi, MD 20783 USA. [Jones, Jacob L.] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. RP Jones, JL (reprint author), N Carolina State Univ, Dept Mat Sci & Engn, Box 7907, Raleigh, NC 27695 USA. EM jacobjones@ncsu.edu OI Cozzan, Clayton/0000-0003-3409-0377 FU NSF [DMR-1207293]; U.S. Department of the Army [W911NF-09-1-0435]; U.S. DOE [DE-AC02-06CH11357]; Korea Institute of Industrial Technology (KITECH) FX This work was supported by NSF under DMR-1207293, and partially by the U.S. Department of the Army under W911NF-09-1-0435. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under contract no. DE-AC02-06CH11357. This work was supported by a grant from Korea Institute of Industrial Technology (KITECH). We thank Jason Nikkel and Jennifer Forrester for help with figure development and constructive feedback on the manuscript text. The authors thank Dr. Daniel Potrepka and Joel Martin of the US Army Research Laboratory for their contributions in preparing the Pt coated substrates. NR 29 TC 5 Z9 5 U1 1 U2 26 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 MAY PY 2015 VL 98 IS 5 BP 1407 EP 1412 DI 10.1111/jace.13468 PG 6 WC Materials Science, Ceramics SC Materials Science GA CH2TK UT WOS:000353877300005 ER PT J AU Mikijelj, B Nawaz, Z Kruzic, JJ Idrobo, J Swab, JJ Ozcoban, H Jelitto, H Schneider, GA Fett, T Liu, Y AF Mikijelj, Biljana Nawaz, Zubair Kruzic, Jamie J. Idrobo, Juan Swab, Jeffrey J. Oezcoban, Husseyin Jelitto, Hans Schneider, Gerold A. Fett, Theo Liu, Yi TI Intergranular Nanostructure Effects on Strength and Toughness of Si3N4 SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID IMPROVED FRACTURE-TOUGHNESS; SILICON-NITRIDE CERAMICS; MICROSTRUCTURAL DESIGN; MECHANICAL-PROPERTIES; BRIDGING CERAMICS; CRACK-GROWTH; R-CURVES; BEHAVIOR; MG; ADDITIVES AB Strength, toughness, microstructure, and atomic adsorption arrangement in silicon nitrides with MgO and RE2O3 additions (RE = La, Gd, Y, Lu) were examined. Mechanical properties were high for La, Gd, and equal La-Lu additions, but surprisingly were progressively lower for Y-and Lu-doped samples. The lower strength and toughness were associated with fewer visible crack deflections and grain bridges. Detailed microstructural analysis of the Lu-doped material revealed a complex intergranular nanostructure with variable Lu content and Si3N4 nanocrystals. Furthermore, the Lu-rich areas showed an extra Lu-adsorption site on the Si3N4 prismatic planes not previously observed in other studies. This inhomogeneous structure was attributed to grain growth impingement and higher viscosity of the Lu-doped oxynitride glass that slows homogenization. The Y-doped material with nearly identical glass viscosity demonstrates intermediate behavior. Finally, substituting half of the Lu2O3 with La2O3 resulted in a homogenous intergranular structure, attributed to a lower viscosity of the oxynitride glass phase, and high mechanical properties. Overall, care must be taken when adapting Si3N4 processing parameters for the smaller ionic radius rare earth dopants such as Lu and Y. C1 [Mikijelj, Biljana; Nawaz, Zubair] Ceradyne Inc, Costa Mesa, CA 92626 USA. [Kruzic, Jamie J.] Oregon State Univ, Mat Sci, Sch Mech Ind & Mfg Engn, Corvallis, OR 97331 USA. [Idrobo, Juan] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Swab, Jeffrey J.] US Army Res Lab, Aberdeen Proving Ground, MD 21005 USA. [Oezcoban, Husseyin; Jelitto, Hans; Schneider, Gerold A.] Hamburg Univ Technol, Inst Adv Ceram, D-21073 Hamburg, Germany. [Fett, Theo] Karlsruhe Inst Technol, Inst Appl Mat, D-76131 Karlsruhe, Germany. [Liu, Yi] N Carolina State Univ, Analyt Instrumentat Facil, Raleigh, NC 27659 USA. RP Mikijelj, B (reprint author), Ceradyne Inc, 3169 Redhill Ave, Costa Mesa, CA 92626 USA. EM bmikijelj@mmm.com RI Kruzic, Jamie/M-3558-2014; OI Kruzic, Jamie/0000-0002-9695-1921; Idrobo, Juan Carlos/0000-0001-7483-9034; Liu, Yi/0000-0001-6996-8843 FU ARL [W911Qx-09-0069]; Alexander von Humboldt Foundation Friedrich Wilhelm Bessel Award FX Work reported was partially funded by ARL contract #W911Qx-09-0069. We are grateful to Dr. Paul Becher for discussions during the program and for providing a sample from his work for comparison to ours. JJK gratefully acknowledges funding from the Alexander von Humboldt Foundation Friedrich Wilhelm Bessel Award. The authors acknowledge 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. NR 28 TC 1 Z9 1 U1 6 U2 36 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 MAY PY 2015 VL 98 IS 5 BP 1650 EP 1657 DI 10.1111/jace.13484 PG 8 WC Materials Science, Ceramics SC Materials Science GA CH2TK UT WOS:000353877300039 ER PT J AU Pathak, S Kalidindi, SR AF Pathak, Siddhartha Kalidindi, Surya R. TI Spherical nanoindentation stress-strain curves SO MATERIALS SCIENCE & ENGINEERING R-REPORTS LA English DT Review DE Nanoindentation; Orientation Imaging Microscopy (OIM); Polycrystalline metals; Grain boundaries; Pop-ins; Raman spectroscopy; Bone; Vertically Aligned Carbon Nanotube (VACNT) brushes; Finite element modeling; Electron Back Scattered Diffraction (EBSD) ID CONTINUOUS STIFFNESS MEASUREMENT; ORIENTATION IMAGING MICROSCOPY; CARBON NANOTUBE BUNDLES; EFFECTIVE ZERO-POINT; SINGLE GRAIN-BOUNDARY; MECHANICAL-PROPERTIES; THIN-FILMS; ELASTIC-MODULUS; YOUNGS MODULUS; IN-SITU AB Although indentation experiments have long been used to measure the hardness and Young's modulus, the utility of this technique in analyzing the complete elastic-plastic response of materials under contact loading has only been realized in the past few years - mostly due to recent advances in testing equipment and analysis protocols. This paper provides a timely review of the recent progress made in this respect in extracting meaningful indentation stress-strain curves from the raw datasets measured in instrumented spherical nanoindentation experiments. These indentation stress-strain curves have produced highly reliable estimates of the indentation modulus and the indentation yield strength in the sample, as well as certain aspects of their post-yield behavior, and have been critically validated through numerical simulations using finite element models as well as direct in situ scanning electron microscopy (SEM) measurements on micro-pillars. Much of this recent progress was made possible through the introduction of a new measure of indentation strain and the development of new protocols to locate the effective zero-point of initial contact between the indenter and the sample in the measured datasets. This has led to an important key advance in this field where it is now possible to reliably identify and analyze the initial loading segment in the indentation experiments. Major advances have also been made in correlating the local mechanical response measured in nanoindentation with the local measurements of structure at the indentation site using complementary techniques. For example, it has been shown that the combined use of Orientation Imaging Microscopy (OIM, using Electron BackScattered Diffraction (EBSD)) and nanoindentation on polycrystalline metallic samples can yield important information on the orientation dependence of indentation yield stress, which can in turn be used to estimate percentage increase in the local slip resistance in deformed samples. The same methods have been used successfully to probe the intrinsic role of grain boundaries in the overall mechanical deformation of the sample. More recently, these protocols have been extended to characterize local mechanical property changes in the damaged layers in ion-irradiated metals. Similarly, the combined use of Raman spectroscopy and nanoindentation on samples of mouse bone has revealed tissue-level correlations between the mineral content at the indentation site and the associated local mechanical properties. The new protocols have also provided several new insights into the buckling response in dense carbon nanotube (CNT) brushes. These and other recent successful applications of nanoindentation are expected to provide the critically needed information for the maturation of physics-based multiscale models for the mechanical behavior of most advanced materials. In this paper, we review these latest developments and identify the future challenges that lie ahead. (C) 2015 Elsevier B.V. All rights reserved. C1 [Pathak, Siddhartha] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Kalidindi, Surya R.] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RP Kalidindi, SR (reprint author), Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. EM surya.kalidindi@me.gatech.edu OI Kalidindi, Surya/0000-0001-6909-7507 FU ARO [W911NF-10-1-0409]; Los Alamos National Laboratory; US Department of Energy [DE-AC52-06NA25396] FX Authors acknowledge funding from ARO grant W911NF-10-1-0409. SP gratefully acknowledges funding from the Los Alamos National Laboratory Director's Postdoctoral Fellowship for part of this work and during the writing of this manuscript. This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy under contract DE-AC52-06NA25396. NR 216 TC 28 Z9 28 U1 24 U2 128 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0927-796X EI 1879-212X J9 MAT SCI ENG R JI Mater. Sci. Eng. R-Rep. PD MAY PY 2015 VL 91 BP 1 EP 36 DI 10.1016/j.mser.2015.02.001 PG 36 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA CH0TS UT WOS:000353735900001 ER PT J AU Kamennaya, NA Ahn, S Park, H Bartal, R Sasaki, KA Holman, HY Jansson, C AF Kamennaya, Nina A. Ahn, SeEun Park, Hanwool Bartal, Roy Sasaki, Kenji A. Holman, Hoi-Ying Jansson, Christer TI Installing extra bicarbonate transporters in the cyanobacterium Synechocystis sp PCC6803 enhances biomass production SO METABOLIC ENGINEERING LA English DT Article DE CCM; Cyanobacteria; Bicarbonate transporter; Engineering ID CARBON CONCENTRATING MECHANISMS; INORGANIC CARBON; PROTEIN-PHOSPHORYLATION; BACILLUS-SUBTILIS; CO2 CONCENTRATION; GREEN-ALGAE; PHOTOSYNTHESIS; EVOLUTION; EXPRESSION; PLANTS AB As a means to improve carbon uptake in the cyanobacterium Synechoustis sp. strain PCC6803, we engineered strains to contain additional inducible copies of the endogenous bicarbonate transporter BicA, an essential component of the CO2-concentrating mechanism in cyanobacteria. When cultured under atmospheric CO2 pressure, the strain expressing extra BicA transporters (BicA(+) strain) grew almost twice as fast and accumulated almost twice as much biomass as the control strain. When enriched with 0.5% or 5% CO2, the BicA(+) strain grew slower than the control but still showed a superior biomass production. Introducing a point mutation in the large C-terminal cytosolic domain of the inserted BicA, at a site implicated in allosteric regulation of transport activity, resulted in a strain (BicA((T485G))(+) strain) that exhibited pronounced cell aggregation and failed to grow at 5% CO2. However, the bicarbonate uptake capacity of the induced BicA((T485G))(+) was twice higher than for the wild-type strain. Metabolic analyses, including phenotyping by synchrotron-radiation Fourier transform Infrared spectromicroscopy, scanning electron microscopy, and lectin staining, suggest that the excess assimilated carbon in BicA(+) and BicA((T485G))(+) cells was directed into production of saccharide-rich exopolymeric substances. We propose that the increased capacity for CO2 uptake in the BicA strain can be capitalized on by re-directing carbon flux from exopolymeric substances to other end products such as fuels or high-value chemicals. (C) 2015 International Metabolic Engineering Society. Published by Elsevier Inc. All rights reserved. C1 [Kamennaya, Nina A.; Ahn, SeEun; Park, Hanwool; Sasaki, Kenji A.; Holman, Hoi-Ying; Jansson, Christer] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bartal, Roy] San Francisco State Univ, Romberg Tiburon Ctr Environm Studies, Tiburon, CA 94920 USA. RP Kamennaya, NA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM n.kamennaya@warwick.ac.uk; christer.jansson@pnnl.gov RI Foundry, Molecular/G-9968-2014; Holman, Hoi-Ying/N-8451-2014 OI Holman, Hoi-Ying/0000-0002-7534-2625 FU U.S. Department of Energy [DEAC02-05CH11231]; Lawrence Berkeley National Laboratory; Molecular Foundry Project [1794]; U.S. Department of Energy, Office of Science and Office of Biological and Environmental Research [DEAC02-05CH11231]; Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported in part by the U.S. Department of Energy Contract DEAC02-05CH11231 with Lawrence Berkeley National Laboratory, Use of the facilities at the LBNL Molecular Foundry was supported by Molecular Foundry Project 1794. The SR-FTIR and associated imaging work were performed at Infrared Beamline 1.4 and 5.4 under the Berkeley Synchrotron Infrared Structural Biology (BSISB) Program funded by the U.S. Department of Energy, Office of Science and Office of Biological and Environmental Research through contracts DEAC02-05CH11231. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract no. DE-AC02-05CH11231. NR 59 TC 12 Z9 12 U1 7 U2 35 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1096-7176 EI 1096-7184 J9 METAB ENG JI Metab. Eng. PD MAY PY 2015 VL 29 BP 76 EP 85 DI 10.1016/j.ymben.2015.03.002 PG 10 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA CH6CR UT WOS:000354123900008 PM 25769289 ER PT J AU Gainsforth, Z Butterworth, AL Stodolna, J Westphal, AJ Huss, GR Nagashima, K Ogliore, R Brownlee, DE Joswiak, D Tyliszczak, T Simionovici, AS AF Gainsforth, Zack Butterworth, Anna L. Stodolna, Julien Westphal, Andrew J. Huss, Gary R. Nagashima, Kazu Ogliore, Ryan Brownlee, Donald E. Joswiak, David Tyliszczak, Tolek Simionovici, Alexandre S. TI Constraints on the formation environment of two chondrule-like igneous particles from comet 81P/Wild 2 SO METEORITICS & PLANETARY SCIENCE LA English DT Article ID ADVANCED LIGHT-SOURCE; OXYGEN-ISOTOPE SYSTEMATICS; FINE-GRAINED MATERIAL; ORDINARY CHONDRITES; STARDUST PARTICLES; II CHONDRULES; CARBONACEOUS CHONDRITES; PROTOPLANETARY DISK; ELECTRON-MICROSCOPY; OLIVINE MORPHOLOGY AB Using chemical and petrologic evidence and modeling, we deduce that two chondrule-like particles named Iris and Callie, from Stardust cometary track C2052,12,74, formed in an environment very similar to that seen for type II chondrules in meteorites. Iris was heated near liquidus, equilibrated, and cooled at <= 100 degrees C h(-1) and within approximate to 2 log units of the IW buffer with a high partial pressure of Na such as would be present with dust enrichments of approximate to 10(3). There was no detectable metamorphic, nebular, or aqueous alteration. In previous work, Ogliore et al. (2012) reported that Iris formed late, >3 Myr after CAIs, assuming Al-26 was homogenously distributed, and was rich in heavy oxygen. Iris may be similar to assemblages found only in interplanetary dust particles and Stardust cometary samples called Kool particles. Callie is chemically and isotopically very similar, but not identical to Iris. C1 [Gainsforth, Zack; Butterworth, Anna L.; Stodolna, Julien; Westphal, Andrew J.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Huss, Gary R.; Nagashima, Kazu; Ogliore, Ryan] Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. [Brownlee, Donald E.; Joswiak, David] Univ Washington, Dept Astron, Seattle, WA 98195 USA. [Tyliszczak, Tolek] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Simionovici, Alexandre S.] Univ Grenoble, Observ Sci, Inst Sci Terre, Grenoble, France. RP Gainsforth, Z (reprint author), Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. EM zackg@ssl.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] FX We would like to thank Gretchen Benedix for advice which ultimately led to examining Iris through the eyes of MELTS. We would like to thank Dave Frank and Daisuke Nakashima for detailed, constructive reviews that helped to place this experiment into context within the early solar system. The ALS and NCEM are supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy, under Contract No. DE-AC02-05CH11231. NR 107 TC 7 Z9 7 U1 3 U2 11 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 MAY PY 2015 VL 50 IS 5 BP 976 EP 1004 DI 10.1111/maps.12445 PG 29 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA CH8AP UT WOS:000354258400010 ER PT J AU Schulze, K Imbeaud, S Letouze, E Alexandrov, LB Calderaro, J Rebouissou, S Couchy, G Meiller, C Shinde, J Soysouvanh, F Calatayud, AL Pinyol, R Pelletier, L Balabaud, C Laurent, A Blanc, JF Mazzaferro, V Calvo, F Villanueva, A Nault, JC Bioulac-Sage, P Stratton, MR Llovet, JM Zucman-Rossi, J AF Schulze, Kornelius Imbeaud, Sandrine Letouze, Eric Alexandrov, Ludmil B. Calderaro, Julien Rebouissou, Sandra Couchy, Gabrielle Meiller, Clement Shinde, Jayendra Soysouvanh, Frederic Calatayud, Anna-Line Pinyol, Roser Pelletier, Laura Balabaud, Charles Laurent, Alexis Blanc, Jean-Frederic Mazzaferro, Vincenzo Calvo, Fabien Villanueva, Augusto Nault, Jean-Charles Bioulac-Sage, Paulette Stratton, Michael R. Llovet, Josep M. Zucman-Rossi, Jessica TI Exome sequencing of hepatocellular carcinomas identifies new mutational signatures and potential therapeutic targets SO NATURE GENETICS LA English DT Article ID GROWTH-FACTOR 19; SOMATIC MUTATIONS; MOLECULAR CLASSIFICATION; RECURRENT MUTATIONS; DRUG-SENSITIVITY; HUMAN CANCER; P53 GENE; PERSPECTIVES; MECHANISMS; EXPRESSION AB Genomic analyses promise to improve tumor characterization to optimize personalized treatment for patients with hepatocellular carcinoma (HCC). Exome sequencing analysis of 243 liver tumors identified mutational signatures associated with specific risk factors, mainly combined alcohol and tobacco consumption and exposure to aflatoxin B-1. We identified 161 putative driver genes associated with 11 recurrently altered pathways. Associations of mutations defined 3 groups of genes related to risk factors and centered on CTNNB1 (alcohol), TP53 (hepatitis B virus, HBV) and AXIN1. Analyses according to tumor stage progression identified TERT promoter mutation as an early event, whereas FGF3, FGF4, FGF19 or CCND1 amplification and TP53 and CDKN2A alterations appeared at more advanced stages in aggressive tumors. In 28% of the tumors, we identified genetic alterations potentially targetable by US Food and Drug Administration (FDA)-approved drugs. In conclusion, we identified risk factor-specific mutational signatures and defined the extensive landscape of altered genes and pathways in HCC, which will be useful to design clinical trials for targeted therapy. C1 [Schulze, Kornelius; Imbeaud, Sandrine; Letouze, Eric; Calderaro, Julien; Rebouissou, Sandra; Couchy, Gabrielle; Meiller, Clement; Shinde, Jayendra; Soysouvanh, Frederic; Calatayud, Anna-Line; Pelletier, Laura; Calvo, Fabien; Nault, Jean-Charles; Zucman-Rossi, Jessica] Inst Univ Hematol, Equipe Labellisee Ligue Canc, Genom Fonct Tumeurs Solides, INSERM,UMR 1162, Paris, France. [Schulze, Kornelius; Imbeaud, Sandrine; Letouze, Eric; Calderaro, Julien; Rebouissou, Sandra; Couchy, Gabrielle; Meiller, Clement; Shinde, Jayendra; Soysouvanh, Frederic; Calatayud, Anna-Line; Pelletier, Laura; Calvo, Fabien; Nault, Jean-Charles; Zucman-Rossi, Jessica] Univ Paris 05, Labex Immunooncol, Sorbonne Paris Cite, Fac Med, Paris, France. [Schulze, Kornelius; Imbeaud, Sandrine; Letouze, Eric; Calderaro, Julien; Rebouissou, Sandra; Couchy, Gabrielle; Meiller, Clement; Shinde, Jayendra; Soysouvanh, Frederic; Calatayud, Anna-Line; Pelletier, Laura; Calvo, Fabien; Nault, Jean-Charles; Zucman-Rossi, Jessica] Univ Paris 13, Sorbonne Paris Cite, Unite Format & Rech Sante, Med,Biol Humaine, Bobigny, France. [Schulze, Kornelius; Imbeaud, Sandrine; Letouze, Eric; Calderaro, Julien; Rebouissou, Sandra; Couchy, Gabrielle; Meiller, Clement; Shinde, Jayendra; Soysouvanh, Frederic; Calatayud, Anna-Line; Pelletier, Laura; Calvo, Fabien; Nault, Jean-Charles; Zucman-Rossi, Jessica] Univ Paris Diderot, Paris, France. [Alexandrov, Ludmil B.; Stratton, Michael R.] Wellcome Trust Sanger Inst, Canc Genome Project, Hinxton, England. [Alexandrov, Ludmil B.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. [Calderaro, Julien] Ctr Hosp Univ Henri Mondor, Assistance Publ Hop Paris, Dept Pathol, Creteil, France. [Pinyol, Roser; Villanueva, Augusto] Hosp Clin Barcelona, Ctr Invest Biomed Red Enfermedades Hepat & Digest, Inst Invest Biomed August Pi & Sunyer,Liver Unit, Hepatocellular Carcinoma Translat Res Lab,Barcelo, Barcelona, Spain. [Balabaud, Charles; Blanc, Jean-Frederic; Bioulac-Sage, Paulette] Univ Bordeaux, INSERM, UMR 1053, Bordeaux, France. [Laurent, Alexis] Ctr Hosp Univ Henri Mondor, Assistance Publ Hop Paris, Dept Digest & Hepatobiliary Surg, Creteil, France. [Laurent, Alexis] Hop Henri Mondor, INSERM, UMR 955, F-94010 Creteil, France. [Blanc, Jean-Frederic] Hop St Andre, Ctr Hosp Univ Bordeaux, Dept Hepatol, Bordeaux, France. [Mazzaferro, Vincenzo] Fdn Ist Tumori, Dept Liver Surg & Transplant, Milan, Italy. [Villanueva, Augusto; Llovet, Josep M.] Mt Sinai Sch Med, Div Liver Dis, Mt Sinai Liver Canc Program, New York, NY USA. [Nault, Jean-Charles] Hop Univ Paris Seine St Denis, Assistance Publ Hop Paris, Pole Activite Cancerol Specialisee, Serv Hepatol, Bondy, France. [Bioulac-Sage, Paulette] Pellegrin Hosp, Ctr Hosp Univ Bordeaux, Dept Pathol, Bordeaux, France. [Llovet, Josep M.] Inst Catalana Recerca & Estudis Avancats, Barcelona, Spain. [Zucman-Rossi, Jessica] Hop Europeen Georges Pompidou, Assistance Publ Hop Paris, Paris, France. RP Zucman-Rossi, J (reprint author), Inst Univ Hematol, Equipe Labellisee Ligue Canc, Genom Fonct Tumeurs Solides, INSERM,UMR 1162, Paris, France. EM jessica.zucman-rossi@inserm.fr RI Llovet, Josep M /D-4340-2014; Mazzaferro, Vincenzo/C-2726-2017; OI Llovet, Josep M /0000-0003-0547-2667; Mazzaferro, Vincenzo/0000-0002-4013-8085; Villanueva, Augusto/0000-0003-3585-3727; zucman-rossi, Jessica/0000-0002-5687-0334; Alexandrov, Ludmil/0000-0003-3596-4515 FU Institut National du Cancer (INCa); ICGC project; PAIR-CHC project NoFLIC - (INCa and Association pour la Recherche contre le Cancer, ARC); HEPTROMIC (Framework Programme 7); Canceropole Ile de France; Centres de Ressources Biologiques (CRB) Liver Tumors; Tumorotheque Centre Hospitalier Universitaire Bordeaux; Centre Hospitalier Universitaire Henri Mondor; BioIntelligence (OSEO); INSERM; INCa; Deutsche Forschungsgemeinschaft (DFG) [SCHU 2893/2-1]; AIRC (Italian Association for Cancer Research); European Comission Framework Programme 7 (HEPTROMIC); Samuel Waxman Cancer Research Foundation; Spanish National Health Institute [SAF-2010-16055, SAF-2013-41027]; Asociacion Espanola Contra el Cancer (AECC); National Nuclear Security Administration of the US Department of Energy FX We warmly thank A. Boulais, C. Guichard, I. Ben Maad and C. Pilati for helpful participation in this work. We thank L. de Koning, C. Baldeyron, A. Barbet and C. Lecerf from the Institut Curie for the reverse-phase protein array experiments. We also thank J. Saric, C. Laurent, L. Chiche, B. Le Bail and C. Castain (Centre Hospitalier Universitaire Bordeaux) and D. Cherqui and J. Tran Van Nhieu (Centre Hospitalier Universitaire Henri Mondor, Creteil) for contributing to the tissue collection. This work was supported by Institut National du Cancer (INCa) with the ICGC project, the PAIR-CHC project NoFLIC (funded by INCa and Association pour la Recherche contre le Cancer, ARC), HEPTROMIC (Framework Programme 7), Canceropole Ile de France, Centres de Ressources Biologiques (CRB) Liver Tumors, Tumorotheque Centre Hospitalier Universitaire Bordeaux and Centre Hospitalier Universitaire Henri Mondor, BioIntelligence (OSEO) and INSERM. J.-C.N. was supported by a fellowship from INCa. K.S. is supported by the Deutsche Forschungsgemeinschaft (DFG grant SCHU 2893/2-1). Research performed at Los Alamos National Laboratory was carried out under the auspices of the National Nuclear Security Administration of the US Department of Energy. V.M. is supported by a grant from AIRC (Italian Association for Cancer Research). J.M.L. is supported by grants from the European Comission Framework Programme 7 (HEPTROMIC, proposal 259744), The Samuel Waxman Cancer Research Foundation, the Spanish National Health Institute (SAF-2010-16055 and SAF-2013-41027) and the Asociacion Espanola Contra el Cancer (AECC). NR 40 TC 119 Z9 120 U1 5 U2 37 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1061-4036 EI 1546-1718 J9 NAT GENET JI Nature Genet. PD MAY PY 2015 VL 47 IS 5 BP 505 EP U106 DI 10.1038/ng.3252 PG 10 WC Genetics & Heredity SC Genetics & Heredity GA CG9LE UT WOS:000353635800013 PM 25822088 ER PT J AU Seyler, KL Schaibley, JR Gong, P Rivera, P Jones, AM Wu, SF Yan, JQ Mandrus, DG Yao, W Xu, XD AF Seyler, Kyle L. Schaibley, John R. Gong, Pu Rivera, Pasqual Jones, Aaron M. Wu, Sanfeng Yan, Jiaqiang Mandrus, David G. Yao, Wang Xu, Xiaodong TI Electrical control of second-harmonic generation in a WSe2 monolayer transistor SO NATURE NANOTECHNOLOGY LA English DT Article ID VALLEY POLARIZATION; TUNGSTEN DISULFIDE; LIGHT GENERATION; NONLINEAR OPTICS; MOS2; DICHALCOGENIDES; PLASMONICS AB Nonlinear optical frequency conversion, in which optical fields interact with a nonlinear medium to produce new field frequencies(1), is ubiquitous in modern photonic systems. However, the nonlinear electric susceptibilities that give rise to such phenomena are often challenging to tune in a given material and, so far, dynamical control of optical nonlinearities remains confined to research laboratories as a spectroscopic tool(2). Here, we report a mechanism to electrically control second-order optical nonlinearities in monolayer WSe2, an atomically thin semiconductor. We show that the intensity of second-harmonic generation at the A-exciton resonance is tunable by over an order of magnitude at low temperature and nearly a factor of four at room temperature through electrostatic doping in a field-effect transistor. Such tunability arises from the strong exciton charging effects in monolayer semiconductors(3,4), which allow for exceptional control over the oscillator strengths at the exciton and trion resonances. The exciton-enhanced second-harmonic generation is counter-circularly polarized to the excitation laser due to the combination of the two-photon and one-photon valley selection rules(5-8), which have opposite helicity in the monolayer. Our study paves the way towards a new platform for chip-scale, electrically tunable nonlinear optical devices based on two-dimensional semiconductors. C1 [Seyler, Kyle L.; Schaibley, John R.; Rivera, Pasqual; Jones, Aaron M.; Wu, Sanfeng; Xu, Xiaodong] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Gong, Pu; Yao, Wang] Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China. [Gong, Pu; Yao, Wang] Univ Hong Kong, Ctr Theoret & Computat Phys, Hong Kong, Hong Kong, Peoples R China. [Yan, Jiaqiang; Mandrus, David G.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Yan, Jiaqiang; Mandrus, David G.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Mandrus, David G.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Xu, Xiaodong] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. RP Xu, XD (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. EM xuxd@uw.edu RI Yao, Wang/C-1353-2008; Wu, Sanfeng/L-1323-2016; OI Yao, Wang/0000-0003-2883-4528; Wu, Sanfeng/0000-0002-6227-6286; Jones, Aaron/0000-0002-8326-1294; Rivera, Pasqual/0000-0002-5909-1686 FU Department of Energy Office of Basic Energy Sciences (DoE BES) [DE-SC0008145, SC0012509]; National Science Foundation (NSF) [DMR-1150719]; Research Grant Council [HKU705513P, HKU9/CRF/13G]; University Grant Council of the government of Hong Kong [AoE/P-04/08]; Croucher Foundation under the Croucher Innovation Award; US DoE, BES, the Materials Sciences and Engineering Division; Cottrell Scholar Award; State of Washington - Clean Energy Institute; NSF FX This work was mainly supported by the Department of Energy Office of Basic Energy Sciences (DoE BES, DE-SC0008145 and SC0012509). Device fabrication was partially supported by the National Science Foundation (NSF, DMR-1150719). P.G. and W.Y. were supported by the Research Grant Council (HKU705513P and HKU9/CRF/13G) and University Grant Council (AoE/P-04/08) of the government of Hong Kong, and the Croucher Foundation under the Croucher Innovation Award. J.Y. and D.M. were supported by the US DoE, BES, the Materials Sciences and Engineering Division. X.X. acknowledges support from the Cottrell Scholar Award, and S.W. acknowledges support from the State of Washington funded Clean Energy Institute. Device fabrication was performed at the Washington Nanofabrication Facility and NSF-funded Nanotech User Facility. NR 35 TC 37 Z9 38 U1 19 U2 160 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 MAY PY 2015 VL 10 IS 5 BP 407 EP 411 DI 10.1038/NNANO.2015.73 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CH5SF UT WOS:000354094900008 PM 25895004 ER PT J AU Lee, WC Kim, K Park, J Koo, J Jeong, HY Lee, H Weitz, DA Zettl, A Takeuchi, S AF Lee, Won Chul Kim, Kwanpyo Park, Jungwon Koo, Jahyun Jeong, Hu Young Lee, Hoonkyung Weitz, David A. Zettl, Alex Takeuchi, Shoji TI Graphene-templated directional growth of an inorganic nanowire SO NATURE NANOTECHNOLOGY LA English DT Article ID ATOMIC LAYER DEPOSITION; CARBON NANOTUBES; NANOSTRUCTURES; NANOPARTICLES; FUNCTIONALIZATION; NANOGENERATORS; NANORIBBONS; COVALENT; SURFACES; CATALYST AB Assembling inorganic nanomaterials on graphene(1-3) is of interest in the development of nanodevices and nanocomposite materials, and the ability to align such inorganic nanomaterials on the graphene surface is expected to lead to improved functionalities(4), as has previously been demonstrated with organic nanomaterials epitaxially aligned on graphitic surfaces(5-10). However, because graphene is chemically inert, it is difficult to precisely assemble inorganic nanomaterials on pristine graphene(2,11-16). Previous techniques(2,3) based on dangling bonds of damaged graphene(11,17-20), intermediate seed materials(11,15,16,21,22) and vapour-phase deposition at high temperature(12-14,23-25) have only formed randomly oriented or poorly aligned inorganic nanostructures. Here, we show that inorganic nanowires of gold(I) cyanide can grow directly on pristine graphene, aligning themselves with the zigzag lattice directions of the graphene. The nanowires are synthesized through a self-organized growth process in aqueous solution at room temperature, which indicates that the inorganic material spontaneously binds to the pristine graphene surface. First-principles calculations suggest that this assembly originates from lattice matching and pi interaction to gold atoms. Using the synthesized nanowires as templates, we also fabricate nanostructures with controlled crystal orientations such as graphene nanoribbons with zigzag-edged directions. C1 [Lee, Won Chul; Takeuchi, Shoji] Univ Tokyo, Inst Ind Sci, Tokyo 1538505, Japan. [Lee, Won Chul; Takeuchi, Shoji] Japan Sci & Technol Agcy, ERATO Takeuchi Biohybrid Innovat Project, Tokyo 1538904, Japan. [Kim, Kwanpyo; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Kim, Kwanpyo] Ulsan Natl Inst Sci & Technol, Dept Phys, Ulsan 689798, South Korea. [Park, Jungwon; Weitz, David A.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Park, Jungwon; Weitz, David A.] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. [Koo, Jahyun; Lee, Hoonkyung] Konkuk Univ, Dept Phys, Seoul 143701, South Korea. [Jeong, Hu Young] Ulsan Natl Inst Sci & Technol, UNIST Cent Res Facil UCRF, Ulsan 689798, South Korea. [Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM azettl@berkeley.edu; takeuchi@iis.u-tokyo.ac.jp RI Kim, Kwanpyo/D-9121-2011; Jeong, Hu Young/H-4413-2016; Park, Jungwon/O-1153-2016; Zettl, Alex/O-4925-2016 OI Kim, Kwanpyo/0000-0001-8497-2330; Park, Jungwon/0000-0003-2927-4331; Zettl, Alex/0000-0001-6330-136X FU Takeuchi Biohybrid Innovation Project, Exploratory Research for Advanced Technology (ERATO); Japan Science and Technology (JST); Office of Energy Research, Materials Sciences and Engineering Division, of the US Department of Energy [DE-AC02-05CH11231]; Office of Naval Research (MURI grant) [N00014-09-1066]; Basic Science Research Program through the National Research Foundation of Korea (NRF) - Ministry of Education [NRF-2014R1A1A2058178]; Harvard MRSEC [DMR-0820484]; Amore-Pacific; Basic Science Research Program through the National Research Foundation of Korea - Ministry of Science, ICT & Future Planning [NRF-2015R1A1A1001583]; KISTI under the Supercomputing Applications Support Program [KSC-2013-C3-034]; UNIST [1.120032.01] FX The authors thank A.P. Alivisatos, H. Fujita, Y. Arakawa, B.J. Kim, L. Yang, J. Moon, Y. Ota, H. Suh, J. Kwon and J. Min for helpful discussions. The authors also thank J. Kim and Y. Mizutani for the AFM analysis, S. Mori and M. Onuki for technical support and A. Sato for help with graphic illustrations. This work was mainly supported by the Takeuchi Biohybrid Innovation Project, Exploratory Research for Advanced Technology (ERATO), Japan Science and Technology (JST). A.Z. and K.K. acknowledge support from the Director, Office of Energy Research, Materials Sciences and Engineering Division, of the US Department of Energy (DE-AC02-05CH11231) and from the Office of Naval Research (MURI grant N00014-09-1066). K.K. also acknowledges support from the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (NRF-2014R1A1A2058178). D.A.W. and J.P. acknowledge support from the Harvard MRSEC (DMR-0820484) and Amore-Pacific. H.L. and J.K. acknowledge support from the Basic Science Research Program through the National Research Foundation of Korea, funded by the Ministry of Science, ICT & Future Planning (NRF-2015R1A1A1001583) and also acknowledge support from KISTI under the Supercomputing Applications Support Program (KSC-2013-C3-034). H.Y.J. acknowledges support from the 2012 Research Fund (1.120032.01) of UNIST. NR 33 TC 15 Z9 15 U1 29 U2 187 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 EI 1748-3395 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD MAY PY 2015 VL 10 IS 5 BP 423 EP 428 DI 10.1038/NNANO.2015.36 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CH5SF UT WOS:000354094900011 PM 25799519 ER PT J AU Surwade, SP Smirnov, SN Vlassiouk, IV Unocic, RR Veith, GM Dai, S Mahurin, SM AF Surwade, Sumedh P. Smirnov, Sergei N. Vlassiouk, Ivan V. Unocic, Raymond R. Veith, Gabriel M. Dai, Sheng Mahurin, Shannon M. TI Water desalination using nanoporous single-layer graphene SO NATURE NANOTECHNOLOGY LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; CARBON NANOTUBES; POROUS GRAPHENE; OXIDE MEMBRANES; TRANSPORT; SEPARATION; ULTRATHIN; HYDROGEN; TECHNOLOGY; PERMEATION AB By creating nanoscale pores in a layer of graphene, it could be used as an effective separation membrane due to its chemical and mechanical stability, its flexibility and, most importantly, its one-atom thickness. Theoretical studies have indicated that the performance of such membranes should be superior to state-of-the-art polymer-based filtration membranes, and experimental studies have recently begun to explore their potential. Here, we show that single-layer porous graphene can be used as a desalination membrane. Nanometre-sized pores are created in a graphene monolayer using an oxygen plasma etching process, which allows the size of the pores to be tuned. The resulting membranes exhibit a salt rejection rate of nearly 100% and rapid water transport. In particular, water fluxes of up to 10(6) g m(-2) s(-1) at 40 degrees C were measured using pressure difference as a driving force, while water fluxes measured using osmotic pressure as a driving force did not exceed 70 g m(-2) s(-1) atm(-1). C1 [Surwade, Sumedh P.; Dai, Sheng; Mahurin, Shannon M.] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. [Smirnov, Sergei N.] New Mexico State Univ, Dept Chem & Biochem, Las Cruces, NM 88003 USA. [Vlassiouk, Ivan V.] Oak Ridge Natl Lab, Energy & Transportat Sci, Oak Ridge, TN 37831 USA. [Unocic, Raymond R.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Veith, Gabriel M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Vlassiouk, IV (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci, Oak Ridge, TN 37831 USA. EM vlassioukiv@ornl.gov; mahurinsm@ornl.gov RI Dai, Sheng/K-8411-2015; Smirnov, Sergei/H-8774-2016; Vlassiouk, Ivan/F-9587-2010; OI Dai, Sheng/0000-0002-8046-3931; Vlassiouk, Ivan/0000-0002-5494-0386; Unocic, Raymond/0000-0002-1777-8228 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; US Department of Energy; ORNL's Center for Nanophase Materials Sciences (CNMS); US Department of Energy, Office of Science User Facility FX Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy. Research also supported through a user proposal at ORNL's Center for Nanophase Materials Sciences (CNMS), which is a US Department of Energy, Office of Science User Facility. NR 40 TC 128 Z9 132 U1 87 U2 422 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 MAY PY 2015 VL 10 IS 5 BP 459 EP 464 DI 10.1038/NNANO.2015.37 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA CH5SF UT WOS:000354094900016 PM 25799521 ER PT J AU Boyer, MD Andre, R Gates, DA Gerhardt, S Goumiri, IR Menard, J AF Boyer, M. D. Andre, R. Gates, D. A. Gerhardt, S. Goumiri, I. R. Menard, J. TI Central safety factor and beta(N) control on NSTX-U via beam power and plasma boundary shape modification, using TRANSP for closed loop simulations SO NUCLEAR FUSION LA English DT Article DE spherical torus plasma control; current profile control; optimal control; control-oriented modelling ID TORUS EXPERIMENT NSTX; TIME EQUILIBRIUM RECONSTRUCTION; SPHERICAL TOKAMAK; PROFILE CONTROL; ASPECT-RATIO; DIII-D; CONFINEMENT; CONDUCTIVITY; STABILITY; REGIME AB The high-performance operational goals of NSTX-U will require development of advanced feedback control algorithms, including control of beta(N) and the safety factor profile. In this work, a novel approach to simultaneously controlling beta(N) and the value of the safety factor on the magnetic axis, q(0), through manipulation of the plasma boundary shape and total beam power, is proposed. Simulations of the proposed scheme show promising results and motivate future experimental implementation and eventual integration into a more complex current profile control scheme planned to include actuation of individual beam powers, density, and loop voltage. As part of this work, a flexible framework for closed loop simulations within the high-fidelity code TRANSP was developed. The framework, used here to identify control-design-oriented models and to tune and test the proposed controller, exploits many of the predictive capabilities of TRANSP and provides a means for performing control calculations based on user-supplied data (controller matrices, target waveforms, etc). The flexible framework should enable high-fidelity testing of a variety of control algorithms, thereby reducing the amount of expensive experimental time needed to implement new control algorithms on NSTX-U and other devices. C1 [Boyer, M. D.; Andre, R.; Gates, D. A.; Gerhardt, S.; Menard, J.] Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. [Goumiri, I. R.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA. RP Boyer, MD (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. EM mboyer@pppl.gov FU U.S. Department of Energy Fusion Energy Postdoctoral Research Program; US Department of Energy [DE-AC02-09CH11466] FX This research was supported in part by an appointment to the U.S. Department of Energy Fusion Energy Postdoctoral Research Program administered by the Oak Ridge Institute for Science and Education and by the US Department of Energy Grant under Contract No. DE-AC02-09CH11466. NR 60 TC 2 Z9 2 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 MAY PY 2015 VL 55 IS 5 AR 053033 DI 10.1088/0029-5515/55/5/053033 PG 15 WC Physics, Fluids & Plasmas SC Physics GA CG8HA UT WOS:000353546700034 ER PT J AU Diallo, A Hughes, JW Baek, SG LaBombard, B Terry, J Cziegler, I Hubbard, A Davis, E Walk, J Delgado-Aparicio, L Reinke, ML Theiler, C Churchill, RM Edlund, EM Canik, J Snyder, P Greenwald, M White, A AF Diallo, A. Hughes, J. W. Baek, S-G. LaBombard, B. Terry, J. Cziegler, I. Hubbard, A. Davis, E. Walk, J. Delgado-Aparicio, L. Reinke, M. L. Theiler, C. Churchill, R. M. Edlund, E. M. Canik, J. Snyder, P. Greenwald, M. White, A. CA Alcator C-Mod Team TI Quasi-coherent fluctuations limiting the pedestal growth on Alcator C-Mod: experiment and modelling SO NUCLEAR FUSION LA English DT Article DE ELM physics; H-Mode; tokamaks; edge turbulence; kinetic ballooning mode; MHD instabilities; microinstabilities ID CONFINEMENT; TRANSPORT AB Performance predictions for future fusion devices rely on an accurate model of the pedestal structure. The candidate for predictive pedestal structure is EPED, and it is imperative to test the underlying hypotheses to further gain confidence for ITER projections. Here, we present experimental work testing one of the EPED hypotheses, namely the existence of a soft limit set by microinstabilities such as the kinetic ballooning mode. This work extends recent work on Alactor C-Mod (Diallo et al 2014 Phys. Rev. Lett. 112 115001), to include detailed measurements of the edge fluctuations and comparisons of edge simulation codes and experimental observations. C1 [Diallo, A.; Delgado-Aparicio, L.; Edlund, E. M.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. [Hughes, J. W.; Baek, S-G.; LaBombard, B.; Terry, J.; Hubbard, A.; Davis, E.; Walk, J.; Reinke, M. L.; Theiler, C.; Churchill, R. M.; Greenwald, M.; White, A.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Cziegler, I.] Univ Calif San Diego, Energy Res Ctr, San Diego, CA 92103 USA. [Canik, J.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Snyder, P.] Gen Atom Co, San Diego, CA USA. RP Diallo, A (reprint author), Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. EM adiallo@pppl.gov OI Canik, John/0000-0001-6934-6681; Theiler, Christian/0000-0003-3926-1374; Churchill, Randy/0000-0001-5711-746X FU US Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-AC02-09CH11466, DE-FC02-99ER54512] FX The authors thank the Alcator C-Mod operation groups for expert running of the tokamak. This material is based upon work supported by the US Department of Energy, Office of Science, Office of Fusion Energy Sciences, using Alcator C-Mod, a DOE Office of Science User Facility, under Award Numbers DE-AC02-09CH11466 and DE-FC02-99ER54512. NR 23 TC 9 Z9 9 U1 5 U2 16 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAY PY 2015 VL 55 IS 5 AR 053003 DI 10.1088/0029-5515/55/5/053003 PG 11 WC Physics, Fluids & Plasmas SC Physics GA CG8HA UT WOS:000353546700004 ER PT J AU Hawryluk, RJ Eidietis, NW Grierson, BA Hyatt, AW Kolemen, E Logan, NC Nazikian, R Paz-Soldan, C Solomon, WM Wolfe, S AF Hawryluk, R. J. Eidietis, N. W. Grierson, B. A. Hyatt, A. W. Kolemen, E. Logan, N. C. Nazikian, R. Paz-Soldan, C. Solomon, W. M. Wolfe, S. TI Control of plasma stored energy for burn control using DIII-D in-vessel coils SO NUCLEAR FUSION LA English DT Article DE fusion reactors; magnetic confinement; equilibrium; tokamaks ID CHAPTER 8; REACTOR; OPERATION; TRANSPORT; STABILITY; IGNITION; FIELDS; EDGE; ITER AB A new approach has been experimentally demonstrated to control the stored energy by applying a non-axisymmetric magnetic field using the DIII-D in-vessel coils to modify the energy confinement time. In future burning plasma experiments as well as magnetic fusion energy power plants, various concepts have been proposed to control the fusion power. The fusion power in a power plant operating at high gain can be related to the plasma stored energy and hence, is a strong function of the energy confinement time. Thus, an actuator that modifies the confinement time can be used to adjust the fusion power. In relatively low collisionality DIII-D discharges, the application of non-axisymmetric magnetic fields results in a decrease in confinement time and density pumpout. Gas puffing was used to compensate the density pumpout in the pedestal while control of the stored energy was demonstrated by the application of non-axisymmetric fields. C1 [Hawryluk, R. J.; Grierson, B. A.; Kolemen, E.; Logan, N. C.; Nazikian, R.; Solomon, W. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Eidietis, N. W.; Hyatt, A. W.; Paz-Soldan, C.] Gen Atom Co, San Diego, CA 92186 USA. [Wolfe, S.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. RP Hawryluk, RJ (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. OI Solomon, Wayne/0000-0002-0902-9876 FU US Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-AC02-09CH11466, DE-FC02-04ER54698, DE-FC02-99ER54512] 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 and DE-FC02-99ER54512. The authors wish to recognize the support from the DIII-D operations team for the reliable operation of the facility, diagnostics and neutral beam systems. NR 27 TC 4 Z9 4 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 MAY PY 2015 VL 55 IS 5 AR 053001 DI 10.1088/0029-5515/55/5/053001 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CG8HA UT WOS:000353546700002 ER PT J AU Kim, K Im, K Kim, HC Oh, S Park, JS Kwon, S Lee, YS Yeom, JH Lee, C Lee, GS Neilson, G Kessel, C Brown, T Titus, P Mikkelsen, D Zhai, Y AF Kim, K. Im, K. Kim, H. C. Oh, S. Park, J. S. Kwon, S. Lee, Y. S. Yeom, J. H. Lee, C. Lee, G-S. Neilson, G. Kessel, C. Brown, T. Titus, P. Mikkelsen, D. Zhai, Y. TI Design concept of K-DEMO for near-term implementation SO NUCLEAR FUSION LA English DT Article DE K-DEMO; DEMO; superconducting magnet; in-vessel components; divertor concept; breeding blanket concept ID TOKAMAKS; HYBRID AB A Korean fusion energy development promotion law (FEDPL) was enacted in 2007. As a following step, a conceptual design study for a steady-state Korean fusion demonstration reactor (K-DEMO) was initiated in 2012. After the thorough 0D system analysis, the parameters of the main machine characterized by the major and minor radii of 6.8 and 2.1 m, respectively, were chosen for further study. The analyses of heating and current drives were performed for the development of the plasma operation scenarios. Preliminary results on lower hybrid and neutral beam current drive are included herein. A high performance Nb3Sn-based superconducting conductor is adopted, providing a peak magnetic field approaching 16 T with the magnetic field at the plasma centre above 7 T. Pressurized water is the prominent choice for the main coolant of K-DEMO when the balance of plant development details is considered. The blanket system adopts a ceramic pebble type breeder. Considering plasma performance, a double-null divertor is the reference configuration choice of K-DEMO. For a high availability operation, K-DEMO incorporates a design with vertical maintenance. A design concept for K-DEMO is presented together with the preliminary design parameters. C1 [Kim, K.; Im, K.; Kim, H. C.; Oh, S.; Park, J. S.; Kwon, S.; Lee, Y. S.; Yeom, J. H.; Lee, C.; Lee, G-S.] Natl Fus Res Inst, Taejon 169148, South Korea. [Neilson, G.; Kessel, C.; Brown, T.; Titus, P.; Mikkelsen, D.; Zhai, Y.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Kim, K (reprint author), Natl Fus Res Inst, Taejon 169148, South Korea. EM kkeeman@nfri.re.kr FU Ministry of Science, ICT and Future Planning, Republic of Korea FX This work is supported by the Ministry of Science, ICT and Future Planning, the Republic of Korea. The authors would like to thank the Chinese FDS Team for providing the MCAM code for the neutronics analysis on K-DEMO. NR 17 TC 5 Z9 5 U1 2 U2 19 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 MAY PY 2015 VL 55 IS 5 AR 053027 DI 10.1088/0029-5515/55/5/053027 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CG8HA UT WOS:000353546700028 ER PT J AU LaBombard, B Marmar, E Irby, J Terry, JL Vieira, R Wallace, G Whyte, DG Wolfe, S Wukitch, S Baek, S Beck, W Bonoli, P Brunner, D Doody, J Ellis, R Ernst, D Fiore, C Freidberg, JP Golfinopoulos, T Granetz, R Greenwald, M Hartwig, ZS Hubbard, A Hughes, JW Hutchinson, IH Kessel, C Kotschenreuther, M Leccacorvi, R Lin, Y Lipschultz, B Mahajan, S Minervini, J Mumgaard, R Nygren, R Parker, R Poli, F Porkolab, M Reinke, ML Rice, J Rognlien, T Rowan, W Shiraiwa, S Terry, D Theiler, C Titus, P Umansky, M Valanju, P Walk, J White, A Wilson, JR Wright, G Zweben, SJ AF LaBombard, B. Marmar, E. Irby, J. Terry, J. L. Vieira, R. Wallace, G. Whyte, D. G. Wolfe, S. Wukitch, S. Baek, S. Beck, W. Bonoli, P. Brunner, D. Doody, J. Ellis, R. Ernst, D. Fiore, C. Freidberg, J. P. Golfinopoulos, T. Granetz, R. Greenwald, M. Hartwig, Z. S. Hubbard, A. Hughes, J. W. Hutchinson, I. H. Kessel, C. Kotschenreuther, M. Leccacorvi, R. Lin, Y. Lipschultz, B. Mahajan, S. Minervini, J. Mumgaard, R. Nygren, R. Parker, R. Poli, F. Porkolab, M. Reinke, M. L. Rice, J. Rognlien, T. Rowan, W. Shiraiwa, S. Terry, D. Theiler, C. Titus, P. Umansky, M. Valanju, P. Walk, J. White, A. Wilson, J. R. Wright, G. Zweben, S. J. TI ADX: a high field, high power density, advanced divertor and RF tokamak SO NUCLEAR FUSION LA English DT Article DE tokamak; advanced divertor; lower hybrid current drive; ion cyclotron range of frequency heating; high magnetic field; high power density; X-point target divertor ID ALCATOR C-MOD; STEADY-STATE OPERATION; CURRENT DRIVE; DIII-D; CONCEPTUAL DESIGN; PLASMA; CONFINEMENT; PHYSICS; FUSION; VULCAN AB The MIT Plasma Science and Fusion Center and collaborators are proposing a high-performance Advanced Divertor and RF tokamak eXperiment (ADX)-a tokamak specifically designed to address critical gaps in the world fusion research programme on the pathway to next-step devices: fusion nuclear science facility (FNSF), fusion pilot plant (FPP) and/or demonstration power plant (DEMO). This high-field (>= 6.5 T, 1.5 MA), high power density facility (P/S similar to 1.5 MW m(-2)) will test innovative divertor ideas, including an 'X-point target divertor' concept, at the required performance parameters-reactor-level boundary plasma pressures, magnetic field strengths and parallel heat flux densities entering into the divertor region-while simultaneously producing high-performance core plasma conditions that are prototypical of a reactor: equilibrated and strongly coupled electrons and ions, regimes with low or no torque, and no fuelling from external heating and current drive systems. Equally important, the experimental platform will test innovative concepts for lower hybrid current drive and ion cyclotron range of frequency actuators with the unprecedented ability to deploy launch structures both on the low-magnetic-field side and the high-magneticfield side-the latter being a location where energetic plasma-material interactions can be controlled and favourable RF wave physics leads to efficient current drive, current profile control, heating and flow drive. This triple combination-advanced divertors, advanced RF actuators, reactor-prototypical core plasma conditions-will enable ADX to explore enhanced core confinement physics, such as made possible by reversed central shear, using only the types of external drive systems that are considered viable for a fusion power plant. Such an integrated demonstration of high-performance core-divertor operation with steady-state sustainment would pave the way towards an attractive pilot plant, as envisioned in the ARC concept (affordable, robust, compact) (Sorbom et al 2015 Fusion Eng. Des. submitted (arXiv: 1409.3540)) that makes use of high-temperature superconductor technology-a high-field (9.25 T) tokamak the size of the Joint European Torus that produces 270 MW of net electricity. C1 [LaBombard, B.; Marmar, E.; Irby, J.; Terry, J. L.; Vieira, R.; Wallace, G.; Whyte, D. G.; Wolfe, S.; Wukitch, S.; Baek, S.; Beck, W.; Bonoli, P.; Brunner, D.; Doody, J.; Ernst, D.; Fiore, C.; Freidberg, J. P.; Golfinopoulos, T.; Granetz, R.; Greenwald, M.; Hartwig, Z. S.; Hubbard, A.; Hughes, J. W.; Hutchinson, I. H.; Leccacorvi, R.; Lin, Y.; Minervini, J.; Mumgaard, R.; Parker, R.; Porkolab, M.; Rice, J.; Shiraiwa, S.; Terry, D.; Walk, J.; White, A.; Wright, G.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Ellis, R.; Kessel, C.; Poli, F.; Titus, P.; Wilson, J. R.; Zweben, S. J.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Kotschenreuther, M.; Mahajan, S.; Rowan, W.; Valanju, P.] Univ Texas Austin, Inst Fus Studies, Austin, TX 78712 USA. [Lipschultz, B.; Reinke, M. L.] Univ York, York YO10 5DD, N Yorkshire, England. [Nygren, R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Rognlien, T.; Umansky, M.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Theiler, C.] Ecole Polytech Fed Lausanne, CRPP, CH-1015 Lausanne, Switzerland. RP LaBombard, B (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM labombard@psfc.mit.edu RI Lipschultz, Bruce/J-7726-2012; EPFL, Physics/O-6514-2016; OI Lipschultz, Bruce/0000-0001-5968-3684; Theiler, Christian/0000-0003-3926-1374 FU US DoE [DE-FC0299ER54512] FX The ADX concept is being refined with support from many colleagues. We especially acknowledge: N. Asakura, D. Brower, L. Delgado-Aparicio, R. Goldston, S. Krasheninnikov, D. Ryutov, S. Scott, P.C. Stangeby, G. Tynan and F. Waelbroeck. This work is supported by US DoE agreement DE-FC0299ER54512. NR 105 TC 16 Z9 16 U1 4 U2 24 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 MAY PY 2015 VL 55 IS 5 AR 053020 DI 10.1088/0029-5515/55/5/053020 PG 25 WC Physics, Fluids & Plasmas SC Physics GA CG8HA UT WOS:000353546700021 ER PT J AU Podesta, M Gorelenkova, M Darrow, DS Fredrickson, ED Gerhardt, SP White, RB AF Podesta, M. Gorelenkova, M. Darrow, D. S. Fredrickson, E. D. Gerhardt, S. P. White, R. B. TI Effects of MHD instabilities on neutral beam current drive SO NUCLEAR FUSION LA English DT Article DE tokamak; MHD instabilities; energetic particle transport; neutral beam current drive ID TRANSPORT; TOKAMAKS; PLASMAS AB Neutral beam injection (NBI) is one of the primary tools foreseen for heating, current drive (CD) and q-profile control in future fusion reactors such as ITER and a Fusion Nuclear Science Facility. However, fast ions from NBI may also provide the drive for energetic particle-driven instabilities (e.g. Alfvenic modes (AEs)), which in turn redistribute fast ions in both space and energy, thus hampering the control capabilities and overall efficiency of NB-driven current. Based on experiments on the NSTX tokamak (M. Ono et al 2000 Nucl. Fusion 40 557), the effects of AEs and other low-frequency magneto-hydrodynamic instabilities on NB-CD efficiency are investigated. A new fast ion transport model, which accounts for particle transport in phase space as required for resonant AE perturbations, is utilized to obtain consistent simulations of NB-CD through the tokamak transport code TRANSP. It is found that instabilities do indeed reduce the NB-driven current density over most of the plasma radius by up to similar to 50%. Moreover, the details of the current profile evolution are sensitive to the specific model used to mimic the interaction between NB ions and instabilities. Implications for fast ion transport modeling in integrated tokamak simulations are briefly discussed. C1 [Podesta, M.; Gorelenkova, M.; Darrow, D. S.; Fredrickson, E. D.; Gerhardt, S. P.; White, R. B.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Podesta, M (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM mpodesta@pppl.gov RI White, Roscoe/D-1773-2013 OI White, Roscoe/0000-0002-4239-2685 FU US Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-AC02-09CH11466] FX This material is based upon work supported by the US Department of Energy, Office of Science, Office of Fusion Energy Sciences under contract number DE-AC02-09CH11466. NR 22 TC 3 Z9 3 U1 1 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAY PY 2015 VL 55 IS 5 AR 053018 DI 10.1088/0029-5515/55/5/053018 PG 9 WC Physics, Fluids & Plasmas SC Physics GA CG8HA UT WOS:000353546700019 ER PT J AU Qiang, Y AF Qiang, Yi CA GlueX Collaboration SoLID Collaboration TI Detector development for Jefferson Lab's 12 GeV Upgrade SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Detector; Spectrometer; Solenoid; Nuclear physics ID GLUEX EXPERIMENT; CALORIMETER AB Jefferson Lab will soon finish its highly anticipated 12 GeV Upgrade. With doubled maximum energy, Jefferson Lab's Continuous Electron Beam Accelerator Facility (CEBAF) will enable a new experimental program with substantial discovery potential, addressing important topics in nuclear, hadronic and electroweak physics. In order to take full advantage of the high energy, high luminosity beam, new detectors are being developed, designed and constructed to fit the needs of different physics topics. The paper will give an overview of various new detector technologies to be used for 12 GeV experiments. It will then focus on the development of two solenoid-based spectrometers, the GlueX and SoLID spectrometers. The GlueX experiment in Hall D will study the complex properties of gluons through exotic hybrid meson spectroscopy. The GlueX spectrometer, a hermetic detector package designed for spectroscopy and the associated partial wave analysis, is currently in the final stage of construction. Hall A, on the other hand, is developing the SOLID spectrometer to capture the 3D image of the nucleon from semi-inclusive processes and to study the intrinsic properties of quarks through mirror symmetry breaking. Such a spectrometer will have the capability to handle very high event rates while still maintaining a large acceptance in the forward region. (C) 2014 Elsevier B.V. All rights reserved. C1 [Qiang, Yi; GlueX Collaboration; SoLID Collaboration] Jefferson Lab, Newport News, VA 23606 USA. RP Qiang, Y (reprint author), Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA. EM yqiang@jlab.org FU DOE, under Jefferson Science Associates, LLC [DE-AC05-06OR23177] FX This work was supported by DOE Contract No. DE-AC05-06OR23177, under which Jefferson Science Associates, LLC, operates the Thomas Jefferson National Accelerator Facility. I would like to thank my colleagues from the GlueX collaboration and the SoLID collaboration. NR 10 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 1 PY 2015 VL 350 BP 71 EP 76 DI 10.1016/j.nimb.2014.12.062 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CH9FU UT WOS:000354342200014 ER PT J AU Conway, ZA Kelly, MP Ostroumov, PN AF Conway, Z. A. Kelly, M. P. Ostroumov, P. N. TI Advanced low-beta cavity development for proton and ion accelerators SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Superconducting radio frequency cavities; Low-beta cavities; Heavy ion accelerators; Proton accelerators AB Recent developments in designing and processing low-beta superconducting cavities at Argonne National Laboratory are very encouraging for future applications requiring compact proton and ion accelerators. One of the major benefits of these accelerating structures is achieving real-estate accelerating gradients greater than 3 MV/m very efficiently either continuously or for long-duty cycle operation (>1%). The technology has been implemented in low-beta accelerator cryomodules for the Argonne ATLAS heavy-ion linac where the cryomodules are required to have real-estate gradients of more than 3 MV/m. In offline testing low-beta cavities with even higher gradients have already been achieved. This paper will review this work where we have achieved surface fields greater than 166 mT magnetic and 117 MV/m electric in a 72 MHz quarter-wave resonator optimized for beta = 0.077 ions. (C) 2015 Elsevier B.V. All rights reserved. C1 [Conway, Z. A.; Kelly, M. P.; Ostroumov, P. N.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Conway, ZA (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zconway@anl.gov FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics [DE-AC02-06CH11357]; U.S. Defense Threat Reduction Agency FX This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under contract No. DE-AC02-06CH11357 and by the U.S. Defense Threat Reduction Agency. This research used resources of ANL's ATLAS facility, which is a DOE Office of Science User Facility. NR 20 TC 0 Z9 0 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 1 PY 2015 VL 350 BP 94 EP 98 DI 10.1016/j.nimb.2015.01.012 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CH9FU UT WOS:000354342200018 ER PT J AU Geddes, CGR Rykovanov, S Matlis, NH Steinke, S Vay, JL Esarey, EH Ludewigt, B Nakamura, K Quiter, BJ Schroeder, CB Toth, C Leemans, WP AF Geddes, Cameron G. R. Rykovanov, Sergey Matlis, Nicholas H. Steinke, Sven Vay, Jean-Luc Esarey, Eric H. Ludewigt, Bernhard Nakamura, Kei Quiter, Brian J. Schroeder, Carl B. Toth, Csaba Leemans, Wim P. TI Compact quasi-monoenergetic photon sources from laser-plasma accelerators for nuclear detection and characterization SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Nonproliferation; Homeland security; Active interrogation; Monoenergetic photon source; Laser plasma accelerator ID ELECTRON INJECTION; PULSES; BEAMS AB Near-monoenergetic photon sources at MeV energies offer improved sensitivity at greatly reduced dose for active interrogation, and new capabilities in treaty verification, nondestructive assay of spent nuclear fuel and emergency response. Thomson (also referred to as Compton) scattering sources are an established method to produce appropriate photon beams. Applications are however restricted by the size of the required high-energy electron linac, scattering (photon production) system, and shielding for disposal of the high energy electron beam. Laser-plasma accelerators (LPAs) produce GeV electron beams in centimeters, using the plasma wave driven by the radiation pressure of an intense laser. Recent LPA experiments are presented which have greatly improved beam quality and efficiency, rendering them appropriate for compact high-quality photon sources based on Thomson scattering. Designs for MeV photon sources utilizing the unique properties of LPAs are presented. It is shown that control of the scattering laser, including plasma guiding, can increase photon production efficiency. This reduces scattering laser size and/or electron beam current requirements to scale compatible with the LPA. Lastly, the plasma structure can decelerate the electron beam after photon production, reducing the size of shielding required for beam disposal. Together, these techniques provide a path to a compact photon source system. (C) 2015 Elsevier B.V. All rights reserved. C1 [Geddes, Cameron G. R.; Rykovanov, Sergey; Matlis, Nicholas H.; Steinke, Sven; Vay, Jean-Luc; Esarey, Eric H.; Ludewigt, Bernhard; Nakamura, Kei; Quiter, Brian J.; Schroeder, Carl B.; Toth, Csaba; Leemans, Wim P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Geddes, CGR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM cgrgeddes@lbl.gov RI Steinke, Sven/D-8086-2011; OI Steinke, Sven/0000-0003-0507-698X; Schroeder, Carl/0000-0002-9610-0166 FU U.S. Dept. of Energy National Nuclear Security administration Defense Nuclear Nonproliferation RD [NA-22]; Office of Science Office of High Energy Physics [DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the U.S. Dept. of Energy National Nuclear Security administration Defense Nuclear Nonproliferation R&D (NA-22), and by the Office of Science Office of High Energy Physics, under Contract No. DE-AC02-05CH11231. The simulations used the computational facilities at the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We would like to acknowledge fruitful discussions with J. van Tilborg, M. Zolotorev, C. Benedetti, M. Chen, S.S. Bulanov, E. Cormier-Michel, D. Bruhwiler and F. Rossi. NR 31 TC 8 Z9 8 U1 1 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 1 PY 2015 VL 350 BP 116 EP 121 DI 10.1016/j.nimb.2015.01.013 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CH9FU UT WOS:000354342200022 ER PT J AU Andrianarijaona, VM Wulf, D McCammon, D Seely, DG Havener, CC AF Andrianarijaona, V. M. Wulf, D. McCammon, D. Seely, D. G. Havener, C. C. TI Radiance line ratios Ly-beta/Ly-alpha, Ly-gamma/Ly-alpha, Ly-delta/Ly-alpha, and Ly-epsilon/Ly-alpha for soft X-ray emissions following charge exchange between C6+ and Kr SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Ion-atom collision; Charge transfer; Soft X-ray; Solar wind; Comet dusts AB The radiance line ratios Ly-beta/Ly-alpha, Ly-gamma/Ly-alpha, Ly-delta/Ly-alpha, and Ly-epsilon/Ly-alpha for soft X-ray emission following charge exchange (CX) between C6+ and Kr are reported for collision energies between approximately 320 and 46,000 eV/u. The corresponding collision velocities (250-3000 km/s) are characteristic of the solar wind. X-ray spectra were obtained at the Oak Ridge National Laboratory Multicharged Ion Research Facility using a microcalorimeter X-ray detector with a resolution on the order of 10 eV FWHM. The measured Ly-beta/Ly-alpha is zero for all considered energies and suggests that very little, if any, capture to 6p occurs. The measured Ly-beta/Ly-alpha and Ly-gamma/Ly-alpha ratios intersect and form a well resolved node around (950 +/- 50) km/s, which could be used as an astrophysical velocity indicative tool. The results reported here are compared to calculations for C6+ + H since no published theory for C6+ + Kr is known to exist. Double-electron-capture (DEC) and other multi-electron processes are possible. True double capture is estimated to be only 10% of the single-electron-capture (SEC). (C) 2015 Published by Elsevier B.V. C1 [Andrianarijaona, V. M.] Pacific Union Coll, Dept Phys, Angwin, CA 94508 USA. [Wulf, D.; McCammon, D.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Seely, D. G.] Albion Coll, Dept Phys, Albion, MI 49224 USA. [Havener, C. C.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Andrianarijaona, VM (reprint author), Pacific Union Coll, Dept Phys, Angwin, CA 94508 USA. FU NASA Solar & Heliospheric Physics Program [NNH07ZDA001N]; NASA [NNX09AF09G]; Office of Fusion Energy Sciences; Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy; National Science Foundation [PHY-1068877] FX This research is supported in part by the NASA Solar & Heliospheric Physics Program NNH07ZDA001N, NASA Grant No. NNX09AF09G, and by the Office of Fusion Energy Sciences and the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. V.A. is supported by the National Science Foundation through Grant No. PHY-1068877. NR 4 TC 0 Z9 0 U1 3 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD MAY 1 PY 2015 VL 350 BP 122 EP 126 DI 10.1016/j.nimb.2015.01.040 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA CH9FU UT WOS:000354342200023 ER PT J AU Williams, ML Choi, S Lee, D AF Williams, Mark L. Choi, Sooyoung Lee, Deokjung TI A New Equivalence Theory Method for Treating DoublyHeterogeneous Fuel-1: Theory SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article AB A new methodology has been developed to treat resonance self-shielding in doubly heterogeneous very high temperature gas-cooled reactor systems in which the fuel compact region of a reactor lattice consists of small fuel grains dispersed in a graphite matrix. The new method first homogenizes the fuel grain and matrix materials using an analytically derived disadvantage factor from a two-region problem with equivalence theory and intermediate resonance method. The disadvantage factor accounts for spatial self-shielding effects inside each grain within the framework of an infinite array of grains. Then the homogenized fuel compact is self-shielded using a Bondarenko method to account for interactions between the fuel compact regions in the fuel lattice. In the final form of the equations for actual implementations, the double-heterogeneity effects are accounted for by simply using a modified definition of a background cross section, which includes geometry parameters and cross sections for both the grain and fuel compact regions. With the new method, the doubly heterogeneous resonance self-shielding effect can be treated easily even with legacy codes programmed only for a singly heterogeneous system by simple modifications in the background cross section for resonance integral interpolations. This paper presents a detailed derivation of the new method and a sensitivity study of double-heterogeneity parameters introduced during the derivation. The implementation of the method and verification results for various test cases are presented in the companion paper. C1 [Williams, Mark L.] Oak Ridge Natl Lab, Reactor & Nucl Syst Div, Oak Ridge, TN 37831 USA. [Choi, Sooyoung; Lee, Deokjung] Ulsan Natl Inst Sci & Technol, Sch Mech & Nucl Engn, Ulsan, South Korea. RP Williams, ML (reprint author), Oak Ridge Natl Lab, Reactor & Nucl Syst Div, Oak Ridge, TN 37831 USA. EM deokjung@unist.ac.kr FU U.S. Nuclear Regulatory Commission Office of Research; National Research Foundation of Korea (NRF) - Korean government (MSIP); Ulsan National Institute of Science and Technology FX This research was funded in part by the U.S. Nuclear Regulatory Commission Office of Research. This work was also supported in part by a National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIP). In addition, this work was partially supported by the Year 2011 Research Fund of the Ulsan National Institute of Science and Technology. NR 10 TC 2 Z9 2 U1 0 U2 0 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5639 EI 1943-748X J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD MAY PY 2015 VL 180 IS 1 BP 30 EP 40 PG 11 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CH3LI UT WOS:000353931800002 ER PT J AU Choi, S Kong, C Lee, D Williams, ML AF Choi, Sooyoung Kong, Chidong Lee, Deokjung Williams, Mark L. TI A New Equivalence Theory Method for Treating Doubly Heterogeneous Fuel II: Verifications SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article ID CROSS-SECTION; DERIVATION; CODE AB A new methodology has been developed recently to treat resonance self-shielding in systems for which the fuel compact region of a reactor lattice consists of small fuel grains dispersed in a graphite matrix. The theoretical development adopts equivalence theory in both micro- and macro-level heterogeneities to provide approximate analytical expressions for the shielded cross sections, which may be interpolated from a table of resonance integrals or Bondarenko factors using a modified background cross section as the interpolation parameter. This paper describes the first implementation of the theoretical equations in a reactor analysis code. To reduce discrepancies caused by use of the rational approximation for collision probabilities in the original derivation, a new formulation for a doubly heterogeneous Bell factor is developed in this paper to improve the accuracy of doubly heterogeneous expressions. The methodology is applied to a wide range of pin cell and assembly test problems with varying geometry parameters, material compositions, and temperatures, and the results are compared with continuous-energy Monte Carlo simulations to establish the accuracy and range of applicability of the new approach. It is shown that the new doubly heterogeneous self-shielding method including the Bell factor correction gives good agreement with reference Monte Carlo results. C1 [Choi, Sooyoung; Kong, Chidong; Lee, Deokjung] Ulsan Natl Inst Sci & Technol, Sch Mech & Nucl Engn, Ulsan, South Korea. [Williams, Mark L.] Oak Ridge Natl Lab, Reactor & Nucl Syst Div, Oak Ridge, TN USA. RP Choi, S (reprint author), Ulsan Natl Inst Sci & Technol, Sch Mech & Nucl Engn, Ulsan, South Korea. EM deokjung@unist.ac.kr FU U.S. Nuclear Regulatory Commission Office of Research; National Research Foundation of Korea - Korean government; UNIST FX This research was funded in part by the U.S. Nuclear Regulatory Commission Office of Research. This work was also supported in part by a National Research Foundation of Korea grant funded by the Korean government. In addition, this work was partially supported by the Year 2011 Research Fund of UNIST. NR 20 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 0029-5639 EI 1943-748X J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD MAY PY 2015 VL 180 IS 1 BP 41 EP 57 PG 17 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CH3LI UT WOS:000353931800003 ER PT J AU Katz, JI AF Katz, J. I. TI Plasma Temperature Inference from Deuterium-Tritium/Deuterium-Deuterium Neutron Discrimination SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article AB Deuterium-deuterium and deuterium-tritium reaction rates may be compared to determine plasma temperatures in the 10- to 200-eV range. Distinguishing neutrons from these two reactions is difficult when yields are low or unpredictable. Time-of-flight (TOF) methods fail if the source is extended in time. These neutrons may be distinguished because inelastic scattering of more energetic neutrons by carbon produces a 4.44-MeV gamma ray and because hydrogenous material preferentially attenuates lower-energy neutrons. We describe a detector system that can discriminate between lower- and higher-energy neutrons for fluences as low as O(10(2)) neutrons per sterad even when TOF methods fail, define a figure of merit, and calculate its performance over a broad range of parameters. C1 [Katz, J. I.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Katz, J. I.] Washington Univ, Dept Phys, McDonnell Ctr Space Sci, St Louis, MO 63130 USA. RP Katz, JI (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM katz@wuphys.wustl.edu FU U.S. Department of Energy [DE-AC52-06NA25396] FX The Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 3 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 0029-5639 EI 1943-748X J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD MAY PY 2015 VL 180 IS 1 BP 117 EP 122 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CH3LI UT WOS:000353931800007 ER PT J AU Rechard, RP AF Rechard, Rob P. TI PROBABILITY AND CONSEQUENCES OF NUCLEAR CRITICALITY AT A GEOLOGIC REPOSITORY-I: CONCEPTUAL OVERVIEW FOR SCREENING SO NUCLEAR TECHNOLOGY LA English DT Article DE critical event; criticality scenario screening; radioactive waste disposal ID ISOLATION PILOT-PLANT; 1996 PERFORMANCE ASSESSMENT; NATURAL FISSION REACTOR; UNSATURATED TUFF; WASTE; FUEL; DISTRIBUTIONS; CONSTRAINTS; ASSIGNMENT; PARAMETERS AB This paper, Part I of two companion papers, reviews concepts underlying the basis for evaluating the criticality scenario for an assessment of performance after closure of a geologic repository for radioactive waste. In the United States, either a low-probability or low-consequence rationale can be the basis of excluding criticality, using the usual assumptions that (a) the interplay between the probability and consequence is not significant and (b) the mean of the epistemic uncertainty of the probability and consequence provides a sufficient approximation. Furthermore, the rationale can be based on either qualitative or quantitative arguments. For those situations with quantitative arguments, this paper provides additional perspective on evaluating the criticality scenario by combining quantitative estimates of low probability and low consequence as a complementary cumulative distribution function. As a demonstration, the low probability and low consequence of the criticality scenario for the Waste Isolation Pilot Plant (a repository for defense transuranic element waste) is presented. C1 Sandia Natl Labs, Nucl Waste Disposal Res & Anal, Albuquerque, NM 87185 USA. RP Rechard, RP (reprint author), Sandia Natl Labs, Nucl Waste Disposal Res & Anal, POB 5800, Albuquerque, NM 87185 USA. EM rprecha@sandia.gov FU DOE National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories (SNL) is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE National Nuclear Security Administration under contract DE-AC04-94AL85000. The author wishes to thank L. A. Connolly, SNL, for help with references, and L. Mays, SNL, for help with illustrations. The original qualitative rationale for excluding criticality from the WIPP PA involved L. C. Sanchez, C. T. Stockman, and H. R. Trellue, and their indirect contribution is gratefully acknowledged. The quantitative estimates of probability and consequences and the perspective presented on combining the low-probability and low-consequence rationale as a CCDF are those of the author and are not necessarily held by reviewers, SNL, or DOE. NR 77 TC 1 Z9 1 U1 2 U2 3 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 MAY PY 2015 VL 190 IS 2 BP 97 EP 126 DI 10.13182/NT14-40 PG 30 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CH0ZX UT WOS:000353752000001 ER PT J AU Rechard, RP AF Rechard, Rob P. TI PROBABILITY AND CONSEQUENCES OF NUCLEAR CRITICALITY AT A GEOLOGIC REPOSITORY-II: POTENTIAL REPOSITORY IN VOLCANIC TUFF AS AN EXAMPLE SO NUCLEAR TECHNOLOGY LA English DT Article DE critical event; criticality scenario screening; radioactive waste disposal ID 1996 PERFORMANCE ASSESSMENT; ISOLATION PILOT-PLANT; UNSATURATED TUFF; FUEL; DISTRIBUTIONS; CONSTRAINTS; ASSIGNMENT; PARAMETERS AB This paper, Part II of two companion papers, demonstrates the concepts for evaluating the criticality scenario class after closure of a geologic repository for spent nuclear fuel (SNF) and high-level radioactive waste. As an example, the low-probability rationale used to exclude consideration of criticality in the performance assessment of the potential Yucca Mountain (YM) repository in southern Nevada is summarized. The Yucca Mountain Project (YMP) presented a quantitative rationale that the probability of criticality inside breached waste containers was <10(-4) over 10(4) yr to show that criticality was not necessary to consider. The dominant probability occurred when neutron absorber material was inadvertently left out for a package disposing of SNF from experimental reactors owned by the U.S. Department of Energy. In addition, this paper develops a quantitative estimate of the low probability of criticality outside the package in either the engineered or geologic barrier to complement the qualitative rationale developed by YMP. Because consequence may also be used as the basis of screening, consequences of criticality at the potential YM repository are roughly estimated, based on results from the literature. The consequences are then combined with the low-probability estimates as a complementary cumulative distribution function to place the corresponding estimated consequences in context and, thereby, provide further perspective on excluding the criticality scenario class. C1 Sandia Natl Labs, Nucl Waste Disposal Res & Anal, Albuquerque, NM 87185 USA. RP Rechard, RP (reprint author), Sandia Natl Labs, Nucl Waste Disposal Res & Anal, POB 5800, Albuquerque, NM 87185 USA. EM rprecha@sandia.gov FU DOE National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories (SNL) is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the DOE National Nuclear Security Administration under contract DE-AC04-94AL85000. The author wishes to thank L. A. Connolly, SNL, for help with references, and S. K. Best, Raytheon, and L. Mays, SNL, for help with illustrations. The evaluation of the potential for criticality at the YM repository involved a number of participants, and their indirect contribution is gratefully acknowledged. Specifically, J. A. McClure, Bechtel SAIC Company, crafted the quantitative, low-probability rationale for inside the package (Sec. III.B), and C. W. Hansen, SNL, updated the rationale in response to requests for additional information by NRC (Ref. 23). J. Scaglione and J. Wagner, both of Oak Ridge National Laboratory, oversaw the development of the criticality rationale. In addition, they demonstrated the low criticality potential in packages with intact fuel/supports (Sec. III.A) and justified using burnup credit for disposal packages (Sec. III.B.2). However, the simplifications used in Sec. III.B to present the results as simple factors in Table I and any interpretative errors of their documentation are those of the author alone. The reader should refer to the original documentation for the complete rationale. Furthermore, the quantitative estimates of low probability outside the package, the quantitative estimates of consequences throughout the disposal system, and the perspective presented on combining the low-probability and low-consequence rationale as a CCDF are those of the author and are not necessarily held by reviewers, SNL, or DOE. NR 84 TC 1 Z9 1 U1 1 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 MAY PY 2015 VL 190 IS 2 BP 127 EP 160 DI 10.13182/NT14-41 PG 34 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CH0ZX UT WOS:000353752000002 ER PT J AU Navarro, J Ring, TA Nigg, DW AF Navarro, Jorge Ring, Terry A. Nigg, David W. TI GAMMA-RAY SIMULATED SPECTRUM DECONVOLUTION OF A LaBr3 1-x 1-in. SCINTILLATOR FOR NONDESTRUCTIVE ATR FUEL BURNUP ON-SITE PREDICTIONS SO NUCLEAR TECHNOLOGY LA English DT Article DE deconvolution; LaBr3; highly enriched fuel burn up prediction AB A deconvolution methodology aimed to reduce the uncertainty for nondestructively predicting fuel burnup using gamma spectra collected with LaBr3 scintillators was developed. Deconvolution techniques have been used in the past to improve photopeak resolution of data collected using gamma detectors; however, they have not been used as a tool to more accurately predict fuel burnup. The deconvolution methodology consisted of calculating the detector response function using Monte Carlo simulations, validating the detector response function against experimental data, and implementing the maximum likelihood expectation maximization algorithm to enhance the LaBr3 gamma spectra. The deconvolution methodology was first tested on single-isotopic simulated data; later it was applied to fuel simulated data that were based on Advanced Test Reactor (ATR) fuel gamma spectra. The study showed that LaBr3 gamma spectra photopeak resolution and quality can be improved significantly using deconvolution methods, in addition to proving that enhancement techniques can be used to nondestructively predict ATR fuel burnup more accurately than using LaBr3 data without enhancements. C1 [Navarro, Jorge] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Navarro, Jorge] Ctr Space Nucl Res, Idaho Falls, ID 83415 USA. [Ring, Terry A.] Univ Utah, Dept Chem Engn, Utah Nucl Engn Program, Salt Lake City, UT 84112 USA. [Nigg, David W.] Idaho Natl Lab, Reactor Phys Anal & Design, Idaho Falls, ID 83415 USA. RP Navarro, J (reprint author), Idaho Natl Lab, 1765 Yellowstone Highway MS 3860, Idaho Falls, ID 83415 USA. EM jorge.navarro@inl.gov FU U.S. Department of Energy under Battelle Energy Alliance, LLC [DE-AC07-05ID14517] FX This work was supported by the U.S. Department of Energy under Battelle Energy Alliance, LLC, contract DE-AC07-05ID14517. NR 13 TC 0 Z9 0 U1 2 U2 4 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 MAY PY 2015 VL 190 IS 2 BP 183 EP 192 DI 10.13182/NT14-4 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CH0ZX UT WOS:000353752000005 ER PT J AU Huang, HC Zhang, L Malladi, G Dadap, JI Manandhar, S Kisslinger, K Vemuri, RSR Shutthanandan, V Bakhru, H Osgood, RM AF Huang, Hsu-Cheng Zhang, Lihua Malladi, Girish Dadap, Jerry I. Manandhar, Sandeep Kisslinger, Kim Vemuri, Rama Sesha R. Shutthanandan, Vaithiyalingam Bakhru, Hassaram Osgood, Richard M., Jr. TI Radiation damage by light-and heavy-ion bombardment of single-crystal LiNbO3 SO OPTICAL MATERIALS EXPRESS LA English DT Article ID OPTICAL WAVE-GUIDES; LITHIUM-NIOBATE; MICRO-RAMAN; BEAM IRRADIATION; GENERATION; SURFACE; DEPENDENCE; STRAIN; OXIDES; HE+ AB In this work, a battery of analytical methods including in situ RBS/C, confocal micro-Raman, TEM/STEM, EDS, AFM, and optical microscopy were used to provide a comparative investigation of light-and heavy-ion radiation damage in single-crystal LiNbO3. High (similar to MeV) and low (similar to 100s keV) ion energies, corresponding to different stopping power mechanisms, were used and their associated damage events were observed. In addition, sequential irradiation of both ion species was also performed and their cumulative depth-dependent damage was determined. It was found that the contribution from electronic stopping by high-energy heavy ions gave rise to a lower critical fluence for damage formation than for the case of low-energy irradiation. Such energy-dependent critical fluence of heavy-ion irradiation is two to three orders of magnitude smaller than that for the case of light-ion damage. In addition, materials amorphization and collision cascades were seen for heavy-ion irradiation, while for light ion, crystallinity remained at the highest fluence used in the experiment. The irradiation-induced damage is characterized by the formation of defect clusters, elastic strain, surface deformation, as well as change in elemental composition. In particular, the presence of nanometric-scale damage pockets results in increased RBS/C backscattered signal and the appearance of normally forbidden Raman phonon modes. The location of the highest density of damage is in good agreement with SRIM calculations. (C) 2015 Optical Society of America C1 [Huang, Hsu-Cheng; Dadap, Jerry I.; Osgood, Richard M., Jr.] Columbia Univ, Ctr Integrated Sci & Engn, New York, NY 10027 USA. [Zhang, Lihua; Kisslinger, Kim] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Malladi, Girish; Bakhru, Hassaram] SUNY Albany, Coll Nanoscale Sci & Engn, Polytech Inst, Albany, NY 12203 USA. [Manandhar, Sandeep; Vemuri, Rama Sesha R.; Shutthanandan, Vaithiyalingam] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Huang, HC (reprint author), Columbia Univ, Ctr Integrated Sci & Engn, New York, NY 10027 USA. EM hh2362@columbia.edu RI Kisslinger, Kim/F-4485-2014 FU Department of the Defense, Defense Threat Reduction Agency (DTRA) [HDTRA1-11-1-0022]; National Science Foundation (NSF) [ECCS-1302488]; Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors gratefully appreciate generous and insightful comments by Prof. William J. Weber. This work was supported by the Department of the Defense, Defense Threat Reduction Agency (DTRA) under HDTRA1-11-1-0022, and the National Science Foundation (NSF) under Award Number ECCS-1302488. A portion of the research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. 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 44 TC 4 Z9 4 U1 3 U2 26 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 2159-3930 J9 OPT MATER EXPRESS JI Opt. Mater. Express PD MAY 1 PY 2015 VL 5 IS 5 BP 1071 EP 1088 DI 10.1364/OME.5.001071 PG 18 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA CH3IB UT WOS:000353922700016 ER PT J AU Huang, L Zuo, C Idir, M Qu, WJ Asundi, A AF Huang, Lei Zuo, Chao Idir, Mourad Qu, Weijuan Asundi, Anand TI Phase retrieval with the transport-of-intensity equation in an arbitrarily shaped aperture by iterative discrete cosine transforms SO OPTICS LETTERS LA English DT Article ID MICROSCOPY AB A transport-of-intensity equation (TIE)-based phase retrieval method is proposed with putting an arbitrarily shaped aperture into the optical wavefield. In this arbitrarily shaped aperture, the TIE can be solved under nonuniform illuminations and even nonhomogeneous boundary conditions by iterative discrete cosine transforms with a phase compensation mechanism. Simulation with arbitrary phase, arbitrary aperture shape, and nonuniform intensity distribution verifies the effective compensation and high accuracy of the proposed method. Experiment is also carried out to check the feasibility of the proposed method in real measurement. Comparing to the existing methods, the proposed method is applicable for any types of phase distribution under nonuniform illumination and nonhomogeneous boundary conditions within an arbitrarily shaped aperture, which enables the technique of TIE with hard aperture to become a more flexible phase retrieval tool in practical measurements. (C) 2015 Optical Society of America C1 [Huang, Lei; Idir, Mourad] Brookhaven Natl Lab, NSLS 2, Upton, NY 11973 USA. [Zuo, Chao] Nanjing Univ Sci & Technol, Jiangsu Key Lab Spectral Imaging & Intelligence S, Nanjing 210094, Jiangsu, Peoples R China. [Qu, Weijuan] Ngee Ann Polytech, Ctr Appl Photon & Laser Technol, Singapore 599489, Singapore. [Asundi, Anand] Nanyang Technol Univ, Sch Mech & Aerosp Engn, Singapore 639798, Singapore. RP Huang, L (reprint author), Brookhaven Natl Lab, NSLS 2, 50 Rutherford Dr, Upton, NY 11973 USA. EM huanglei0114@gmail.com RI Zuo, Chao/D-7273-2014 OI Zuo, Chao/0000-0002-1461-0032 FU LDRD project in Brookhaven National Laboratory [LDRD13-032]; Fundamental Research Funds for the Central Universities [30915011318]; "Zijin Star" program of Nanjing University of Science and Technology FX This work is supported by LDRD project in Brookhaven National Laboratory, No. LDRD13-032, and the Fundamental Research Funds for the Central Universities, No. 30915011318. C. Zuo thanks the support of the "Zijin Star" program of Nanjing University of Science and Technology. NR 18 TC 3 Z9 4 U1 1 U2 10 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 MAY 1 PY 2015 VL 40 IS 9 BP 1976 EP 1979 DI 10.1364/OL.40.001976 PG 4 WC Optics SC Optics GA CH3IQ UT WOS:000353924600024 PM 25927762 ER PT J AU Radke, CD McManamen, JP Kastengren, AL Halls, BR Meyer, TR AF Radke, Christopher D. McManamen, J. Patrick Kastengren, Alan L. Halls, Benjamin R. Meyer, Terrence R. TI Quantitative time-averaged gas and liquid distributions using x-ray fluorescence and radiography in atomizing sprays SO OPTICS LETTERS LA English DT Article ID DENSE SPRAYS; FUEL SPRAYS AB A method for quantitative measurements of gas and liquid distributions is demonstrated using simultaneous x-ray fluorescence and radiography of both phases in an atomizing coaxial spray. Synchrotron radiation at 10.1 keV from the Advanced Photon Source at Argonne National Laboratory is used for x-ray fluorescence of argon gas and two tracer elements seeded into the liquid stream. Simultaneous time-resolved x-ray radiography combined with time-averaged dual-tracer fluorescence measurements enabled corrections for reabsorption of x-ray fluorescence photons for accurate, line-of-sight averaged measurements of the distribution of the gas and liquid phases originating from the atomizing nozzle. (C) 2015 Optical Society of America C1 [Radke, Christopher D.; McManamen, J. Patrick] NASA, Johnson Space Ctr, Propuls & Power Div, Houston, TX 77058 USA. [Radke, Christopher D.; Halls, Benjamin R.; Meyer, Terrence R.] Iowa State Univ, Dept Mech Engn, Ames, IA 50011 USA. [Kastengren, Alan L.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Radke, CD (reprint author), NASA, Johnson Space Ctr, Propuls & Power Div, Houston, TX 77058 USA. EM Christopher.D.Radke@NASA.gov FU Propulsion and Power Division at the NASA-Johnson Space Center; Army Research Office; DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357] FX The work was sponsored by the Propulsion and Power Division at the NASA-Johnson Space Center and by the Army Research Office (Dr. Ralph Anthenien, Program Manager). 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. The authors would like to express gratitude to J.C. Melcher and Robert Morehead for their technical assistance. NR 24 TC 4 Z9 4 U1 0 U2 3 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 MAY 1 PY 2015 VL 40 IS 9 BP 2029 EP 2032 DI 10.1364/OL.40.002029 PG 4 WC Optics SC Optics GA CH3IQ UT WOS:000353924600038 PM 25927776 ER PT J AU Ellison, CL Finn, JM Qin, H Tang, WM AF Ellison, C. Leland Finn, J. M. Qin, H. Tang, W. M. TI Development of variational guiding center algorithms for parallel calculations in experimental magnetic equilibria SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT Joint Varenna-Lausanne International Workshop on the Theory of Fusion Plasmas CY SEP 01-05, 2014 CL Varenna, ITALY DE guiding center algorithms; parallel calculations; magnetic equilibria; variational integrators ID MULTISTEP METHODS; CROSS-SECTION; CENTER MOTION; INTEGRATORS AB Structure-preserving algorithms obtained via discrete variational principles exhibit strong promise for the calculation of guiding center test particle trajectories. The non-canonical Hamiltonian structure of the guiding center equations forms a novel and challenging context for geometric integration. To demonstrate the practical relevance of these methods, a prototypical variational midpoint algorithm is applied to an experimental magnetic equilibrium. The stability characteristics, conservation properties and implementation requirements associated with the variational algorithms are addressed. Furthermore, computational run time is reduced for large numbers of particles by parallelizing the calculation to use general-purpose graphics processing unit hardware. C1 [Ellison, C. Leland; Qin, H.; Tang, W. M.] Princeton Plasma Phys Lab, Princeton, NJ 08550 USA. [Finn, J. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Qin, H.] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. RP Ellison, CL (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08550 USA. EM lellison@pppl.gov FU US Department of Energy [DE-AC02-09CH11466] FX The authors are grateful to J W Burby and M Kraus for helpful discussions on Hamiltonian systems and variational integrators. Similarly, we would like to thank N Logan and S Hudson for assistance with the EFIT equilibrium code. This work was performed under US Department of Energy contract DE-AC02-09CH11466. NR 32 TC 9 Z9 9 U1 2 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD MAY PY 2015 VL 57 IS 5 AR 054007 DI 10.1088/0741-3335/57/5/054007 PG 13 WC Physics, Fluids & Plasmas SC Physics GA CH8CP UT WOS:000354263900008 ER PT J AU Halpern, FD Terry, JL Zweben, SJ LaBombard, B Podesta, M Ricci, P AF Halpern, F. D. Terry, J. L. Zweben, S. J. LaBombard, B. Podesta, M. Ricci, P. TI Comparison of 3D flux-driven scrape-off layer turbulence simulations with gas-puff imaging of Alcator C-Mod inner-wall limited discharges SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT Joint Varenna-Lausanne International Workshop on the Theory of Fusion Plasmas CY SEP 01-05, 2014 CL Varenna, ITALY DE turbulence; gas-puff imaging; flux-driven; scrape-off layer ID INTERCHANGE TURBULENCE; TRANSPORT; FLUCTUATIONS; GEOMETRY; PLASMA AB We carry out a quantitative comparison between gas-puff imaging (GPI) turbulence measurements in Alcator C-Mod inner-wall limited discharges (Zweben et al 2009 Phys. Plasmas 18 082505) and 3D flux-driven drift-reduced Braginskii turbulence simulations of scrape-off layer dynamics. The comparison is carried out for a series of inner-wall limited discharges where the magnetic field and the density are varied. The comparison between GPI data and non-linear simulations yields overall good agreement for several observables, such as the D-alpha emission levels and intermittency, the radial and poloidal correlation lengths and propagation velocities, and the power and frequency spectral density. C1 [Halpern, F. D.; Ricci, P.] Ecole Polytech Fed Lausanne, CRPP, CH-1015 Lausanne, Switzerland. [Terry, J. L.; LaBombard, B.] MIT, Cambridge, MA 02139 USA. [Zweben, S. J.; Podesta, M.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. RP Halpern, FD (reprint author), Ecole Polytech Fed Lausanne, CRPP, CH-1015 Lausanne, Switzerland. EM federico.halpern@epfl.ch RI EPFL, Physics/O-6514-2016 FU Swiss National Science Foundation; USDoE [DE-FC02-99ER54512, DE-AC02-09CH11466]; Euratom research and training programme [633053] FX The authors would like to thank S Jolliet, J Loizu, A Mosetto, F Riva, C Wersal and T-M Tran for useful discussions. Parts of the simulations presented herein were carried out at the Swiss National Supercomputer Center (CSCS) under project ID s346; parts were carried out at the National Energy Research Scientific Computing Center (NERSC) under project GBSSOL; and parts were carried out using the HELIOS supercomputer system at the Computational Simulation Centre of the International Fusion Energy Research Centre (IFERCCSC), Aomori, Japan, under the Broader Approach collaboration between Euratom and Japan, implemented by Fusion for Energy and JAEA. This work was carried out within the framework of the EUROfusion Consortium. It was supported in part by the Swiss National Science Foundation, in part by USDoE awards DE-FC02-99ER54512 and DE-AC02-09CH11466, and received funding from the Euratom research and training programme 2014-2018 under grant agreement number 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 30 TC 4 Z9 4 U1 1 U2 13 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 MAY PY 2015 VL 57 IS 5 AR 054005 DI 10.1088/0741-3335/57/5/054005 PG 10 WC Physics, Fluids & Plasmas SC Physics GA CH8CP UT WOS:000354263900006 ER PT J AU Boucher, TF Ozanne, MV Carmosino, ML Dyar, MD Mahadevan, S Breves, EA Lepore, KH Clegg, SM AF Boucher, Thomas F. Ozanne, Marie V. Carmosino, Marco L. Dyar, M. Darby Mahadevan, Sridhar Breves, Elly A. Lepore, Kate H. Clegg, Samuel M. TI A study of machine learning regression methods for major elemental analysis of rocks using laser-induced breakdown spectroscopy SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE Laser-induced breakdown spectroscopy (LIBS); Partial least squares (PLS); Support vector regression (SVR); Lasso; Principal component regression (PCR) ID PARTIAL LEAST-SQUARES; MASS ABSORPTION-COEFFICIENTS; CHEMCAM INSTRUMENT SUITE; MODELS; MARS; CLASSIFICATION; SAMPLES; UNIT AB The ChemCam instrument on the Mars Curiosity rover is generating thousands of LIBS spectra and bringing interest in this technique to public attention. The key to interpreting Mars or any other types of LIBS data are calibrations that relate laboratory standards to unknowns examined in other settings and enable predictions of chemical composition. Here, LIBS spectral data are analyzed using linear regression methods including partial least squares (PLS-1 and PLS-2), principal component regression (PCR), least absolute shrinkage and selection operator (lasso), elastic net, and linear support vector regression (SVR-Lin). These were compared against results from nonlinear regression methods including kernel principal component regression (K-PCR), polynomial kernel support vector regression (SVR-Py) and k-nearest neighbor (kNN) regression to discern the most effective models for interpreting chemical abundances from LIBS spectra of geological samples. The results were evaluated for 100 samples analyzed with 50 laser pulses at each of five location averaged together. Wilcoxon signed-rank tests were employed to evaluate the statistical significance of differences among the nine models using their predicted residual sum of squares (PRESS) to make comparisons. For MgO, SiO2, Fe2O3, CaO, and MnO, the sparse models outperform all the others except for linear SVR, while for Na2O, K2O, TiO2, and P2O5, the sparse methods produce inferior results, likely because their emission lines in this energy range have lower transition probabilities. The strong performance of the sparse methods in this study suggests that use of dimensionality-reduction techniques as a preprocessing step may improve the performance of the linear models. Nonlinear methods tend to overfit the data and predict less accurately, while the linear methods proved to be more generalizable with better predictive performance. These results are attributed to the high dimensionality of the data (6144 channels) relative to the small number of samples studied. The best-performing models were SVR-Lin for SiO2, MgO, Fe2O3, and Na2O, lasso for Al2O3, elastic net for MnO, and PLS-1 for CaO, TiO2, and K2O. Although these differences in model performance between methods were identified, most of the models produce comparable results when p <= 0.05 and all techniques except kNN produced statistically-indistinguishable results. It is likely that a combination of models could be used together to yield a lower total error of prediction, depending on the requirements of the user. (C) 2015 Elsevier B.V. All rights reserved. C1 [Boucher, Thomas F.; Carmosino, Marco L.; Mahadevan, Sridhar] Univ Massachusetts, Sch Comp Sci, Amherst, MA 01003 USA. [Ozanne, Marie V.; Dyar, M. Darby; Breves, Elly A.; Lepore, Kate H.] Mt Holyoke Coll, Dept Astron, S Hadley, MA 01075 USA. [Clegg, Samuel M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Boucher, TF (reprint author), Univ Massachusetts, Sch Comp Sci, 140 Governors Dr, Amherst, MA 01003 USA. EM boucher@cs.umass.edu OI Clegg, Sam/0000-0002-0338-0948 FU NSF [CHE-1306133, CHE-1307179]; NASA [NNG06GH35G, NNX09AL21G] FX We are grateful for support from NSF grants CHE-1306133 and CHE-1307179 and NASA grants NNG06GH35G and NNX09AL21G, and for student support from the Massachusetts Space Grant Consortium. We thank Michael Vollinger and Michael Rhodes for contributing analyzed samples and good advice to this project. NR 45 TC 9 Z9 9 U1 9 U2 39 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 MAY 1 PY 2015 VL 107 BP 1 EP 10 DI 10.1016/j.sab.2015.02.003 PG 10 WC Spectroscopy SC Spectroscopy GA CH6OE UT WOS:000354155100001 ER PT J AU Frandsen, BA Billinge, SJL AF Frandsen, Benjamin A. Billinge, Simon J. L. TI Magnetic structure determination from the magnetic pair distribution function (mPDF): ground state of MnO SO ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES LA English DT Article DE pair distribution function; magnetic pair distribution function; neutron scattering; magnetic structure; local structure AB An experimental determination of the magnetic pair distribution function (mPDF) defined in an earlier paper [Frandsen et al. (2014). Acta Cryst. A70, 3-11] is presented for the first time. The mPDF was determined from neutron powder diffraction data from a reactor and a neutron time-of-flight total scattering source on a powder sample of the antiferromagnetic oxide MnO. A description of the data treatment that allowed the measured mPDF to be extracted and then modelled is provided and utilized to investigate the lowtemperature structure of MnO. Atomic and magnetic co-refinements support the scenario of a locally monoclinic ground-state atomic structure, despite the average structure being rhombohedral, with the mPDF analysis successfully recovering the known antiferromagnetic spin configuration. The total scattering data suggest a preference for the spin axis to lie along the pseudocubic [10 (1) over bar] direction. Finally, r-dependent PDF refinements indicate that the local monoclinic structure tends toward the average rhombohedral R (3) over barm symmetry over a length scale of approximately 100 angstrom. C1 [Frandsen, Benjamin A.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Billinge, SJL (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. EM sb2896@columbia.edu RI D20, Diffractometer/O-3123-2013 OI D20, Diffractometer/0000-0002-1572-1367 FU US National Science Foundation (NSF) Partnership in International Research and Education initiative (PIRE) [PIRE: OISE-0968226]; NSF Graduate Research Fellowship [DGE-11-44155]; US Department of Energy (DOE), Office of Basic Energy Sciences [DE-AC02-98CH10886]; DOE Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396] FX We gratefully acknowledge Michela Brunelli at the ILL and Joan Siewenie at the Lujan Center for valuable assistance during the data collection and processing stages, as well as Kate Page at the Lujan Center and Xiaohao Yang at Columbia University for useful discussions. BAF was supported by the US National Science Foundation (NSF) Partnership in International Research and Education initiative (PIRE) via grant No. PIRE: OISE-0968226 and by the NSF Graduate Research Fellowship via grant No. DGE-11-44155, and SJLB was supported by the US Department of Energy (DOE), Office of Basic Energy Sciences, under contract No. DE-AC02-98CH10886. Neutron scattering experiments were carried out on NPDFat LANSCE, funded by DOE Office of Basic Energy Sciences. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE contract No. DE-AC52-06NA25396. NR 19 TC 5 Z9 5 U1 4 U2 22 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0108-7673 EI 1600-5724 J9 ACTA CRYSTALLOGR A JI Acta Crystallogr. Sect. A PD MAY PY 2015 VL 71 BP 325 EP 334 DI 10.1107/S205327331500306X PN 3 PG 10 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA CH0NY UT WOS:000353719200008 PM 25921501 ER PT J AU Dominguez, GA Lohse, SE Torelli, MD Murphy, CJ Hamers, RJ Orr, G Klaper, RD AF Dominguez, Gustavo A. Lohse, Samuel E. Torelli, Marco D. Murphy, Catherine J. Hamers, Robert J. Orr, Galya Klaper, Rebecca D. TI Effects of charge and surface ligand properties of nanoparticles on oxidative stress and gene expression within the gut of Daphnia magna SO AQUATIC TOXICOLOGY LA English DT Article DE ROS; gst; Gene expression; Nanotoxicity; Oxidative stress ID GOLD NANOPARTICLES; SILVER NANOPARTICLES; DIFFERENT SIZES; MEMORY DEVICES; TOXICITY; NANOMATERIALS; EXPOSURE; WATER; TIO2; ZNO AB Concern has been raised regarding the current and future release of engineered nanomaterials into aquatic environments from industry and other sources. However, not all nanomaterials may cause an environmental impact and identifying which nanomaterials may be of greatest concern has been difficult. It is thought that the surface groups of a functionalized nanoparticles (NPs) may play a significant role in determining their interactions with aquatic organisms, but the way in which surface properties of NPs impact their toxicity in whole organisms has been minimally explored. A major point of interaction of NPs with aquatic organisms is in the gastrointestinal tract as they ingest particulates from the water column or from the sediment. The main goal of this study was to use model gold NP (AuNPs) to evaluate the potential effects of the different surfaces groups on NPs on the gut of an aquatic model organism, Daphnia magna. In this study, we exposed daphnids to a range of AuNPs concentrations and assessed the impact of AuNP exposure in the daphnid gut by measuring reactive oxygen species (ROS) production and expression of genes associated with oxidative stress and general cellular stress: glutathione S-transferase (gst), catalase (cat), heat shock protein 70 (hsp70), and metallothioneinl (mt1). We found ROS formation and gene expression were impacted by both charge and the specific surface ligand used. We detected some degree of ROS production in all NP exposures, but positively charged AuNPs induced a greater ROS response. Similarly, we observed that, compared to controls, both positively charged AuNPs and only one negatively AuNP impacted expression of genes associated with cellular stress. Finally, ligand-AuNP exposures showed a different toxicity and gene expression profile than the ligand alone, indicating a NP specific effect. (C) 2015 Elsevier B.V. All rights reserved. C1 [Dominguez, Gustavo A.; Klaper, Rebecca D.] Univ Wisconsin, Sch Freshwater Sci, Milwaukee, WI 53204 USA. [Lohse, Samuel E.; Murphy, Catherine J.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Torelli, Marco D.; Hamers, Robert J.] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA. [Orr, Galya] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Klaper, RD (reprint author), Univ Wisconsin, Sch Freshwater Sci, 600 E Greenfield Ave, Milwaukee, WI 53204 USA. EM rklaper@uwm.edu RI Hamers, Robert/C-6466-2008; OI Hamers, Robert/0000-0003-3821-9625; Murphy, Catherine/0000-0001-7066-5575 FU National Science Foundation Chemistry Division through the Center for Chemical Innovation Program [CHE-1240151] FX This work was funded by the National Science Foundation Chemistry Division through the Center for Chemical Innovation Program (CHE-1240151) to R. Hamers, C. Murphy, G. Orr and R. Klaper. NR 56 TC 9 Z9 9 U1 11 U2 60 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-445X EI 1879-1514 J9 AQUAT TOXICOL JI Aquat. Toxicol. PD MAY PY 2015 VL 162 BP 1 EP 9 DI 10.1016/j.aquatox.2015.02.015 PG 9 WC Marine & Freshwater Biology; Toxicology SC Marine & Freshwater Biology; Toxicology GA CH2NA UT WOS:000353860700002 PM 25734859 ER PT J AU Johnson, GE Ploskey, GR Sather, NK Teel, DJ AF Johnson, Gary E. Ploskey, Gene R. Sather, Nichole K. Teel, David J. TI Residence times of juvenile salmon and steelhead in off-channel tidal freshwater habitats, Columbia River, USA SO CANADIAN JOURNAL OF FISHERIES AND AQUATIC SCIENCES LA English DT Article ID SUBYEARLING CHINOOK SALMON; COHO SALMON; ACOUSTIC TRANSMITTERS; ONCORHYNCHUS-KISUTCH; ESTUARY; MIGRATION; RESILIENCE; MOVEMENTS; SURVIVAL; OREGON AB We documented two life history strategies for juvenile salmonids as expressed in off-channel tidal freshwater habitats of the Columbia River: (i) active migrations by upper river Chinook salmon (Oncorhynchus tshawytscha) and steelhead (Oncorhynchus mykiss) during the primary spring and summer migration periods and (ii) overwinter rearing in tidal freshwater habitats by coho salmon (Oncorhynchus kisutch) and naturally produced Chinook salmon mostly from lower river sources. During spring-summer 2007-2008, acoustic-tagged fish originating above Bonneville Dam (rkm 234) had short residence times in off-channel areas (rkm 192-203): median 2.5 and 2.6 h for yearling (mean lengths 134 and 158 mm) and 3.0 and 3.4 h for subyearling (104 and 116 mm) Chinook salmon and 2.5 h for yearling steelhead (215 mm). The percentage of fish in off-channel areas out of the total in the main-and off-channels areas was highest for yearling Chinook salmon (8.1% and 9.3% for 2007 and 2008, respectively) and lowest for steelhead (4.0% for 2008) and subyearling Chinook salmon (3.6% and 6.1% for 2007 and 2008, respectively). In late January and early February 2010, 2011, and 2012, we captured and tagged yearling Chinook and coho salmon occupying off-channel tidal freshwater habitats. Median residence times in off-channel areas were 11.6-25.5 days for juvenile Chinook (106, 115, and 118 mm, respectively by year) and 11.2 days for coho salmon (116 mm). This study is the first to estimate residence times for juvenile salmonids specifically in off-channel areas of tidal fresh water and, most importantly, residence times for Chinook salmon expressing a life history of overwintering in tidal fresh water. The findings support restoration of shallow off-channel habitats in tidal freshwater portions of the Columbia River. C1 [Johnson, Gary E.] Pacific NW Natl Lab, Portland, OR 97204 USA. [Ploskey, Gene R.] Pacific NW Natl Lab, North Bonneville, WA 98639 USA. [Sather, Nichole K.] Pacific NW Natl Lab, Sequim, WA 98382 USA. [Teel, David J.] NOAA Fisheries, NW Fisheries Sci Ctr, Manchester, WA 98353 USA. RP Johnson, GE (reprint author), Pacific NW Natl Lab, 620 SW 5th Ave, Portland, OR 97204 USA. EM gary.johnson@pnnl.gov FU Bonneville Power Administration (BPA); US Army Corps of Engineers Portland District (USACE) FX This research was funded by the Bonneville Power Administration (BPA) and the US Army Corps of Engineers Portland District (USACE). We are grateful to Blaine Ebberts, Brad Eppard, Mike Langeslay, and Cindy Studebaker (USACE) and Tracey Yerxa (BPA) for supporting the study; David Kuligowski of the National Marine Fisheries Service (NMFS) for analyzing the genetic samples; Earl Dawley (NMFS, retired) for summarizing migration characteristics; and Adam Storch and Tucker Jones of the Oregon Department of Fish and Wildlife, and Amanda Bryson, Daniel Deng, Susan Ennor, Eric Fischer, Matt Hennen, James Hughes, Ron Kaufman, Geoff McMichael, Mark Weiland, Christa Woodley, and Shon Zimmerman of the Pacific Northwest National Laboratory for helping conduct the study. We sincerely appreciate the insightful comments from three anonymous peer reviewers. NR 61 TC 5 Z9 5 U1 5 U2 31 PU CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS PI OTTAWA PA 65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA SN 0706-652X EI 1205-7533 J9 CAN J FISH AQUAT SCI JI Can. J. Fish. Aquat. Sci. PD MAY PY 2015 VL 72 IS 5 BP 684 EP 696 DI 10.1139/cjfas-2014-0085 PG 13 WC Fisheries; Marine & Freshwater Biology SC Fisheries; Marine & Freshwater Biology GA CG9HW UT WOS:000353626800005 ER PT J AU Kayler, ZE De Boeck, HJ Fatichi, S Grunzweig, JM Merbold, L Beier, C McDowell, N Dukes, JS AF Kayler, Zachary E. De Boeck, Hans J. Fatichi, Simone Gruenzweig, Jose M. Merbold, Lutz Beier, Claus McDowell, Nathan Dukes, Jeffrey S. TI Experiments to confront the environmental extremes of climate change SO FRONTIERS IN ECOLOGY AND THE ENVIRONMENT LA English DT Article ID VEGETATION MORTALITY; TERRESTRIAL ECOSYSTEMS; ELEVATED CO2; DROUGHT; CARBON; GROWTH; PRECIPITATION; CONSEQUENCES; RESPONSES; WATER AB Extreme climate conditions can dramatically alter ecosystems and are expected to become more common in the future; however, our understanding of species and ecosystem responses to extreme conditions is limited. We must meet this challenge by designing experiments that cover broad ranges of environmental stress, extending to levels well beyond those observed currently. Such experiments are important because they can identify physiological, community, and biogeochemical thresholds, and improve our understanding of mechanistic ecological responses to climate extremes. Although natural environmental gradients can be used to observe a range of ecological responses, manipulation experiments including those that impose drought and heat gradients are necessary to induce variation beyond common limits. Importantly, manipulation experiments allow for determination of the cause and effect of species and ecosystem threshold responses. We present a rationale and recommendations for conducting extreme experiments that extend beyond the historical and even the predicted ranges of environmental conditions. C1 [Kayler, Zachary E.] Leibniz Ctr Agr Landscape Res ZALF, Inst Landscape Biogeochem, Muncheberg, Germany. [De Boeck, Hans J.] Univ Antwerp, Dept Biol, Res Grp Plant & Vegetat Ecol, Antwerp, Belgium. [Fatichi, Simone] ETH, Inst Environm Engn, Zurich, Switzerland. [Gruenzweig, Jose M.] Hebrew Univ Jerusalem, Robert H Smith Fac Agr Food & Environm, IL-76100 Rehovot, Israel. [Merbold, Lutz] ETH, Inst Agr Sci, Zurich, Switzerland. [Beier, Claus] Norwegian Inst Water Res, Oslo, Norway. [McDowell, Nathan] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Dukes, Jeffrey S.] Purdue Univ, Dept Forestry & Nat Resources, W Lafayette, IN 47907 USA. [Dukes, Jeffrey S.] Purdue Univ, Dept Biol Sci, W Lafayette, IN 47907 USA. RP Kayler, ZE (reprint author), Leibniz Ctr Agr Landscape Res ZALF, Inst Landscape Biogeochem, Muncheberg, Germany. EM kayler@zalf.de RI Merbold, Lutz/K-6103-2012; Beier, Claus/C-1789-2016; Dukes, Jeffrey/C-9765-2009; De Boeck, Hans/N-6153-2016; OI Merbold, Lutz/0000-0003-4974-170X; Beier, Claus/0000-0003-0348-7179; Dukes, Jeffrey/0000-0001-9482-7743; De Boeck, Hans/0000-0003-2180-8837; Fatichi, Simone/0000-0003-1361-6659 FU CARBO-Extreme (FP7) [226701]; Integrated Network for Terrestrial Ecosystem Research on Feedbacks to the Atmosphere and Climate (INTERFACE) [NSF DEB-0955771]; Integrated Land Ecosystem-Atmosphere Processes Study (iLEAPS); VELUX Foundation FX This paper resulted from discussions held during the Open Science Conference on Climate Extremes and Biogeochemical Cycles in the Terrestrial Biosphere: Impacts and Feedbacks Across Scales, in Seefeld, Austria. The meeting was sponsored by CARBO-Extreme (FP7 2007-2013, grant agreement 226701), the Integrated Network for Terrestrial Ecosystem Research on Feedbacks to the Atmosphere and Climate (INTERFACE) (NSF DEB-0955771), and the Integrated Land Ecosystem-Atmosphere Processes Study (iLEAPS). CB was supported by the VELUX Foundation through the CLIMAITE project. HJDB is a post-doctoral researcher of the Fund for Scientific Research - Flanders. We thank N Glaesner for incisive comments on an earlier version of this manuscript. NR 28 TC 19 Z9 19 U1 4 U2 46 PU ECOLOGICAL SOC AMER PI WASHINGTON PA 1990 M STREET NW, STE 700, WASHINGTON, DC 20036 USA SN 1540-9295 EI 1540-9309 J9 FRONT ECOL ENVIRON JI Front. Ecol. Environ. PD MAY PY 2015 VL 13 IS 4 BP 219 EP 225 DI 10.1890/140174 PG 7 WC Ecology; Environmental Sciences SC Environmental Sciences & Ecology GA CH4KJ UT WOS:000354002100017 ER PT J AU Carlson, LC Alfonso, EL Huang, H Nikroo, A Schoff, ME Emerich, MN Bunn, T Antipa, NA Horner, JB AF Carlson, L. C. Alfonso, E. L. Huang, H. Nikroo, A. Schoff, M. E. Emerich, M. N. Bunn, T. Antipa, N. A. Horner, J. B. TI AUTOMATION OF NIF TARGET CHARACTERIZATION AND LASER ABLATION OF DOMES USING THE 4PI SYSTEM SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article DE 4pi; Leica; laser ablation AB Capsules for inertial confinement fusion require precise measurement of isolated features and domes on the capsule's outer suiface. Features that are too large must be removed. A 4pi capsule mapping and characterization system has been developed to map, identify, and measure domes using a Leica confocal microscope. An ultraviolet wavelength laser was integrated to laser-ablate the offending domes that exceed the allowable mix mass. Current process methods to remove domes require three different stations in different locations. The 4pi system achieves automated capsule handling, metrology, and laser polishing/ablation of domes on one device without losing track of the capsule's orientation. The measurement technique and metrology accuracy are compared to patch atomic force microscopy scans and phase-shifting diffraction inteiferometer measurements with good correlation. The laser polishing method has demonstrated analogous results to the current process methods, but in an automated fashion. Additionally, the 4pi capsule-handling capability of the system has been used to laser-ablate purposeful engineered designs into specialty capsules. C1 [Carlson, L. C.; Alfonso, E. L.; Huang, H.; Nikroo, A.; Schoff, M. E.; Emerich, M. N.] Gen Atom Co, San Diego, CA 92186 USA. [Bunn, T.; Antipa, N. A.; Horner, J. B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Carlson, LC (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM carlson@fusion.gat.com FU General Atomics independent research and development funds FX This work has been supported by General Atomics independent research and development funds. NR 12 TC 6 Z9 6 U1 0 U2 7 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 EI 1943-7641 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD MAY PY 2015 VL 67 IS 4 BP 762 EP 770 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CH3LH UT WOS:000353931700007 ER PT J AU Kumar, NAPK Leonard, KJ Jellison, GE Snead, LL AF Kumar, N. A. P. Kiran Leonard, K. J. Jellison, G. E. Snead, L. L. TI HIGH-DOSE NEUTRON IRRADIATION PERFORMANCE OF DIELECTRIC MIRRORS SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article DE dielectric mirrors; neutron irradiation; multilayer ID HOLE ALUMINUM CENTERS; THIN-FILMS; REFRACTIVE-INDEX; INDUCED DENSIFICATION; MAGNETIC-PROPERTIES; OPTICAL-PROPERTIES; CRYSTALLINE SIO2; AMORPHOUS SILICA; VITREOUS SILICA; WATER SORPTION AB The study presents the high-dose behavior of dielectric mirrors specifically engineered for radiation tolerance. Alternating layers of Al2O3/SiO2 and HfO2/SiO2 were grown on sapphire substrates and exposed to neutron doses of I and 4 displacements per atom (dpa) at 458 +/- 10 K in the High Flux Isotope Reactor (HFIR). In comparison to previously reported results, these higher doses of 1 and 4 dpa result in a drastic drop in optical reflectance, caused by a failure of the multilayer coating. HfO2/SiO2 mirrors failed completely when exposed to I dpa, whereas the reflectance of Al2O3/SiO2 mirrors reduced to 44%, eventually failing at 4 dpa. Transmission electron microscopy (TEM) observation of the Al2O3/SiO2 specimens showed SiO2 layer defects, which increase in size with irradiation dose. The typical size of each defect was approximate to 8 nm in 1-dpa specimens and approximate to 42 nm in 4-dpa specimens. Buckling-type delamination of the interface between the substrate and first layer was typically observed in both 1- and 4-dpa HfO2/SiO2 specimens. Composition changes across the layers were measured in high-resolution-scanning-TEM mode using energy dispersive spectroscopy. A significant interdiffusion between the film layers was observed in the Al2O3/SiO2 mirror, although it was less evident in the HfO2/SiO2 system. The ultimate goal of this work is to provide insight into the radiation-induced failure mechanisms of these mirrors. C1 [Kumar, N. A. P. Kiran; Leonard, K. J.; Jellison, G. E.; Snead, L. L.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Kumar, NAPK (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM anantha.nimishakavi@mail.mcgill.ca FU U.S. Department of Energy (DOE); Office of Science; Fusion Energy Sciences; Office of Basic Energy Sciences FX The authors would like to thank M. Williams and P. Tedder for their assistance in postirradiation examination of the samples in the LAMDA laboratory. This research was supported by the U.S. Department of Energy (DOE), Office of Science, Fusion Energy Sciences. Irradiations were carried out in the HFIR, also sponsored through the Office of Basic Energy Sciences, DOE. NR 60 TC 0 Z9 0 U1 2 U2 10 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 EI 1943-7641 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD MAY PY 2015 VL 67 IS 4 BP 771 EP 783 PG 13 WC Nuclear Science & Technology SC Nuclear Science & Technology GA CH3LH UT WOS:000353931700008 ER PT J AU Fyke, JG D'Orgeville, M Weaver, AJ AF Fyke, Jeremy G. D'Orgeville, Marc Weaver, Andrew J. TI Drake Passage and Central American Seaway controls on the distribution of the oceanic carbon reservoir SO GLOBAL AND PLANETARY CHANGE LA English DT Article DE Carbon cycle; Ocean gateways; Oceanography ID ANTARCTIC CIRCUMPOLAR CURRENT; THERMOHALINE CIRCULATION; GLOBAL CLIMATE; NORTH-ATLANTIC; PANAMA UPLIFT; MODEL; PACIFIC; CLOSURE; SENSITIVITY; GLACIATION AB A coupled carbon/climate model is used to explore the impact of Drake Passage opening and Central American Seaway closure on the distribution of carbon in the global oceans. We find that gateway evolution likely played an important role in setting the modern day distribution of oceanic dissolved inorganic carbon (DIC), which is currently characterized by relatively low concentrations in the Atlantic Ocean, and high concentrations in the Southern, Indian, and Pacific oceans. In agreement with previous studies, we find a closed Drake Passage in the presence of an open Central American Seaway results in suppressed Atlantic meridional overturning and enhanced southern hemispheric deep convection. Opening of the Drake Passage triggers Antarctic Circumpolar Current flow and a weak Atlantic meridional overturning circulation (AMOC). Subsequent Central American Seaway closure reinforces the AMOC while also stagnating equatorial Pacific subsurface waters. These gateway-derived oceanographic changes are reflected in large shifts to the global distribution of DIC. An initially closed Drake Passage results in high DIC concentrations in the Atlantic and Arctic oceans, and lower DIC concentrations in the Pacific/Indian/Southern oceans. Opening Drake Passage reverses this gradient by lowering mid-depth Atlantic and Arctic DIC concentrations and raising deep Pacific/Indian/Southern Ocean DIC concentrations. Central American Seaway closure further reinforces this trend through additional Atlantic mid-depth DIC decreases, as well as Pacific mid-depth DIC concentration increases, with the net effect being a transition to a modern distribution of oceanic DIC Published by Elsevier B.V. C1 [Fyke, Jeremy G.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [D'Orgeville, Marc] Univ Toronto, Dept Phys, Toronto, ON M5S 1A1, Canada. [Weaver, Andrew J.] Univ Victoria, Sch Earth & Ocean Sci, Victoria, BC V8W 2Y2, Canada. RP Fyke, JG (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM fyke@lanl.gov RI Weaver, Andrew/E-7590-2011 NR 60 TC 2 Z9 2 U1 0 U2 14 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 MAY PY 2015 VL 128 BP 72 EP 82 DI 10.1016/j.gloplacha.2015.02.011 PG 11 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA CH2JY UT WOS:000353852700007 ER PT J AU Jordan, DC Sekulic, B Marion, B Kurtz, SR AF Jordan, Dirk C. Sekulic, B. Marion, B. Kurtz, Sarah R. TI Performance and Aging of a 20-Year-Old Silicon PV System SO IEEE JOURNAL OF PHOTOVOLTAICS LA English DT Article DE Degradation; durability; field performance; photovoltaic system; reliability ID DEGRADATION AB This paper examines the long-term performance of a 20-year-old crystalline silicon system. The degradation was found to be about 0.8%/year and is consistent with historical averages. In contrast with themajority of historical degradation, the decline for this particular system is more attributable to fill factor (FF) than to short-circuit current (Isc). The underlying cause was determined to be an increase in series resistance. We found no evidence that this system degrades significantly differently from its worst performing strings and modules. Maintenance events during the 20 years were dominated by inverter issues with a total of four replacements. C1 [Jordan, Dirk C.; Sekulic, B.; Marion, B.; Kurtz, Sarah R.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Jordan, DC (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM dirk.jordan@nrel.gov; Bill.Sekulic@nrel.gov; bill.marion@nrel.gov; Sarah.Kurtz@nrel.gov FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory FX Manuscript received November 26, 2014; revised January 7, 2015; accepted January 19, 2015. Date of publication February 13, 2015; date of current version April 17, 2015. This work was supported by the U.S. Department of Energy under Contract DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. NR 17 TC 5 Z9 5 U1 3 U2 13 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-3381 J9 IEEE J PHOTOVOLT JI IEEE J. Photovolt. PD MAY PY 2015 VL 5 IS 3 BP 744 EP 751 DI 10.1109/JPHOTOV.2015.2396360 PG 8 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA CG8IJ UT WOS:000353550500006 ER PT J AU Ahsan, N Miyashita, N Yu, KM Walukiewicz, W Okada, Y AF Ahsan, Nazmul Miyashita, Naoya Yu, Kin Man Walukiewicz, Wladek Okada, Yoshitaka TI Electron Barrier Engineering in a Thin-Film Intermediate-Band Solar Cell SO IEEE JOURNAL OF PHOTOVOLTAICS LA English DT Article DE Dilute nitride; intermediate-band (IB) solar cell; molecular beam epitaxy (MBE); thin-film solar cell ID EFFICIENCY; GAINNAS; GAAS AB Improved open-circuit voltages have been achieved in dilute nitride thin-film intermediate-band solar cells by optimizing intermediate-band barrier layers. The blocking properties of the AlGaAs electron barrier are found to critically depend on the barrier-doping level. Open-circuit voltages V-OC improved when electron-doping levels in the AlGaAs barriers were reduced. This is ascribed to the increased association of V-OC with the larger gap defined by the valence and conduction bands due to the improved electrical isolation of the intermediate band. C1 [Ahsan, Nazmul; Miyashita, Naoya; Okada, Yoshitaka] Univ Tokyo, Res Ctr Adv Sci & Technol, Tokyo 1538904, Japan. [Yu, Kin Man; Walukiewicz, Wladek] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Ahsan, N (reprint author), Univ Tokyo, Res Ctr Adv Sci & Technol, Tokyo 1538904, Japan. EM ahsan@mbe.rcast.u-tokyo.ac.jp; miyashita@mbe.rcast.u-tokyo.ac.jp; KMYu@lbl.gov; W_Walukiewicz@lbl.gov; okada@mbe.rcast.u-tokyo.ac.jp OI Yu, Kin Man/0000-0003-1350-9642 FU New Energy and Industrial Technology Development Organization; Ministry of Economy, Trade, and Industry, Japan; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences, and Engineering Division [DE-AC02-05CH11231] FX Manuscript received June 30, 2014; revised January 30, 2015; accepted February 23, 2015. Date of publication April 1, 2015; date of current version April 17, 2015. This work was performed under SOLAR QUEST Program supported by the New Energy and Industrial Technology Development Organization and Ministry of Economy, Trade, and Industry, Japan. A part of this work was performed at the Lawrence Berkeley National Laboratory that was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences, and Engineering Division under Contract DE-AC02-05CH11231. NR 31 TC 1 Z9 1 U1 3 U2 18 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-3381 J9 IEEE J PHOTOVOLT JI IEEE J. Photovolt. PD MAY PY 2015 VL 5 IS 3 BP 878 EP 884 DI 10.1109/JPHOTOV.2015.2412451 PG 7 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA CG8IJ UT WOS:000353550500024 ER PT J AU Nardone, M Albin, DS AF Nardone, Marco Albin, David S. TI Degradation of CdTe Solar Cells: Simulation and Experiment SO IEEE JOURNAL OF PHOTOVOLTAICS LA English DT Article DE Defect kinetics; degradation; numerical modeling; reliability; semiconductor simulation; thin-film photovoltaics ID STABILITY AB Time-dependent numerical modeling is employed in conjunction with experimental data to investigate degradation mechanisms in cadmium telluride (CdTe) solar cells. Two mechanisms are tested against the data: 1) defect generation in the junction region caused by excess charge carriers and reactant defects and 2) back barrier increase. Junction effects result in stable J(sc) with significant losses in V-oc and FF, in accordance with typical data for the type of light-soak stress conditions considered here. The back barrier increase causes additional FF loss. The results suggest that both mid-gap recombination centers and shallow acceptor-type defects form near the main junction as degradation proceeds. Our data reaffirm that the inclusion of copper in the back contact is associated with better initial performance and more rapid degradation. Correlations were observed between degradation rates and apparent doping hysteresis obtained from bidirectional capacitance-voltage (C-V) scans. Our time-resolved photoluminescence (PL) results show no correlation between light-soak-induced V-oc loss and PL lifetime. C1 [Nardone, Marco] Bowling Green State Univ, Bowling Green, OH 43403 USA. [Albin, David S.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Nardone, M (reprint author), Bowling Green State Univ, Bowling Green, OH 43403 USA. EM marcon@bgsu.edu; David.albin@nrel.gov NR 25 TC 6 Z9 6 U1 1 U2 31 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-3381 J9 IEEE J PHOTOVOLT JI IEEE J. Photovolt. PD MAY PY 2015 VL 5 IS 3 BP 962 EP 967 DI 10.1109/JPHOTOV.2015.2405763 PG 6 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA CG8IJ UT WOS:000353550500036 ER PT J AU Essig, S Benick, J Schachtner, M Wekkeli, A Hermle, M Dimroth, F AF Essig, Stephanie Benick, Jan Schachtner, Michael Wekkeli, Alexander Hermle, Martin Dimroth, Frank TI Wafer-Bonded GaInP/GaAs//Si Solar Cells With 30% Efficiency Under Concentrated Sunlight SO IEEE JOURNAL OF PHOTOVOLTAICS LA English DT Article DE Multijunction solar cell; silicon; wafer bonding; III-V semiconductor materials ID SI; SILICON; DEVICES; GAAS AB Highly efficient III-V/Si triple-junction solar cells were realized by a fabrication process based on direct wafer bonding: Ga0.51In0.49P/GaAs dual-junction solar cells were grown inverted by metal organic vapor phase epitaxy on GaAs substrates and bonded to separately fabricated Si solar cells. The fast atom beam activated direct wafer bond between highly doped n-Si and n-GaAs enabled a transparent and electrically conductive interface. Challenges arising from the different thermal expansion coefficients of Si and the III-V semiconductors were circumvented, as the bonding was performed atmoderate temperatures of 120 degrees C. The external quantum efficiency and current-voltage characteristics of the wafer-bonded triple-junction solar cells were thoroughly investigated, and a maximum efficiency of 30.0% was found for a concentration factor of 112. C1 [Essig, Stephanie; Benick, Jan; Schachtner, Michael; Wekkeli, Alexander; Hermle, Martin; Dimroth, Frank] Fraunhofer Inst Solar Energy Syst, D-79110 Freiburg, Germany. RP Essig, S (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Stephanie.Essig@nrel.gov; jan.benick@ise.fraunhofer.de; michael.schachtner@ise.fraunhofer.de; alexander.wekkeli@ise.fraunhofer.de; martin.hermle@ise.fraunhofer.de; frank.dimroth@ise.fraunhofer.de FU German Federal Environmental Foundation (DBU) FX Manuscript received August 30, 2014; revised November 29, 2014 and January 21, 2015; accepted January 26, 2015. Date of publication February 19, 2015; date of current version April 17, 2015. The work of S. Essig was supported by the German Federal Environmental Foundation (DBU). NR 21 TC 13 Z9 13 U1 10 U2 32 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-3381 J9 IEEE J PHOTOVOLT JI IEEE J. Photovolt. PD MAY PY 2015 VL 5 IS 3 BP 977 EP 981 DI 10.1109/JPHOTOV.2015.2400212 PG 5 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA CG8IJ UT WOS:000353550500038 ER PT J AU Alam, MK Khan, F Johnson, J Flicker, J AF Alam, Mohammed Khorshed Khan, Faisal Johnson, Jay Flicker, Jack TI A Comprehensive Review of Catastrophic Faults in PV Arrays: Types, Detection, and Mitigation Techniques SO IEEE JOURNAL OF PHOTOVOLTAICS LA English DT Review DE Arc fault; fire; ground fault; line-to-line; photovoltaic (PV) ID SOLAR PHOTOVOLTAIC ARRAYS; SYSTEMS; VOLTAGE; PROTECTION; MODULES; CLASSIFICATION AB Three major catastrophic failures in photovoltaic (PV) arrays are ground faults, line-to-line faults, and arc faults. Although there have not been many such failures, recent fire events on April 5, 2009, in Bakersfield, CA, USA, and on April 16, 2011, in Mount Holly, NC, USA, suggest the need for improvements in present fault detection and mitigation techniques, as well as amendments to existing codes and standards to avoid such accidents. This review investigates the effect of faults on the operation of PV arrays and identifies limitations to existing detection and mitigation methods. Asurvey of state-of-the-art fault detection and mitigation technologies and commercially available products is also presented. C1 [Alam, Mohammed Khorshed; Khan, Faisal] Univ Utah, Dept Elect & Comp Engn, Salt Lake City, UT 84112 USA. [Johnson, Jay; Flicker, Jack] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Alam, MK (reprint author), Ford Motor Co, Dearborn, MI 48126 USA. EM khorshed.alam@utah.edu; faisal.khan@utah.edu; jjohns2@sandia.gov; jdflick@sandia.gov NR 80 TC 9 Z9 9 U1 3 U2 12 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-3381 J9 IEEE J PHOTOVOLT JI IEEE J. Photovolt. PD MAY PY 2015 VL 5 IS 3 BP 982 EP 997 DI 10.1109/JPHOTOV.2015.2397599 PG 16 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA CG8IJ UT WOS:000353550500039 ER PT J AU Papavasiliou, A Oren, SS Rountree, B AF Papavasiliou, Anthony Oren, Shmuel S. Rountree, Barry TI Applying High Performance Computing to Transmission-Constrained Stochastic Unit Commitment for Renewable Energy Integration SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Lagrangian relaxation; parallel computing; scenario selection; stochastic optimization; unit commitment ID OPTIMAL POWER-FLOW; LAGRANGIAN-RELAXATION; WIND POWER; HYDROTHERMAL SYSTEM; SCENARIO REDUCTION; OPTIMIZATION; GENERATION; UNCERTAINTY; SPEED; ALGORITHMS AB We present a parallel implementation of Lagrangian relaxation for solving stochastic unit commitment subject to uncertainty in renewable power supply and generator and transmission line failures. We describe a scenario selection algorithm inspired by importance sampling in order to formulate the stochastic unit commitment problem and validate its performance by comparing it to a stochastic formulation with a very large number of scenarios, that we are able to solve through parallelization. We examine the impact of narrowing the duality gap on the performance of stochastic unit commitment and compare it to the impact of increasing the number of scenarios in the model. We report results on the running time of the model and discuss the applicability of the method in an operational setting. C1 [Papavasiliou, Anthony] Catholic Univ Louvain, CORE, B-1348 Louvain, Belgium. [Papavasiliou, Anthony] Catholic Univ Louvain, Dept Engn Math, B-1348 Louvain, Belgium. [Oren, Shmuel S.] Univ Calif Berkeley, Dept Ind Engn & Operat Res, Berkeley, CA 94720 USA. [Rountree, Barry] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Papavasiliou, A (reprint author), Catholic Univ Louvain, CORE, B-1348 Louvain, Belgium. EM anthony.papavasiliou@uclouvain.be; oren@ieor.berkeley.edu; rountree4@llnl.gov OI Papavasiliou, Anthony/0000-0002-2236-2251 FU National Science Foundation [IIP 0969016]; U.S. Department of Energy through the Future Grid initiative; Lawrence Livermore National Laboratory FX This work was supported in part by the National Science Foundation [Grant IIP 0969016], in part by the U.S. Department of Energy through the Future Grid initiative administered by the Power Systems Engineering Research Center, and in part by the Lawrence Livermore National Laboratory. Paper no. TPWRS-00251-2013. NR 46 TC 8 Z9 8 U1 2 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 EI 1558-0679 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD MAY PY 2015 VL 30 IS 3 BP 1109 EP 1120 DI 10.1109/TPWRS.2014.2341354 PG 12 WC Engineering, Electrical & Electronic SC Engineering GA CG9MX UT WOS:000353641000001 ER PT J AU Jabarnejad, M Wang, JH Valenzuela, J AF Jabarnejad, Masood Wang, Jianhui Valenzuela, Jorge TI A Decomposition Approach for Solving Seasonal Transmission Switching SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Decomposition; mixed integer programming; power generation dispatch and economics; seasonal transmission switching (STS) ID SENSITIVITY-ANALYSIS; SECURITY; NETWORK AB Economic transmission switching has been proposed as a new control paradigm to improve the economics of electric power systems. In practice, the transmission switching operation itself is a disruptive action to the system. Frequently switching lines into or out of service can create undesirable effects on the security and reliability of power systems and may require new investments in the automation and control systems. In this paper, we formulate an economic seasonal transmission switching model where transmission switching occurs once at the beginning of a time period (season) and then the transmission topology remains unchanged during that period. The proposed seasonal transmission switching model is a large-scale mixed integer programming problem. The objective of the optimization model is to minimize the total energy generation cost over the season subject to loads and N-1 reliability requirements. We develop a novel decomposition method that decomposes the seasonal problem into one-hour problems which are then solved efficiently. We demonstrate our model and the decomposition approach on the 14-bus, 39-bus, and 118-bus power systems and show potential cost savings in each case. C1 [Jabarnejad, Masood; Valenzuela, Jorge] Auburn Univ, Dept Ind & Syst Engn, Auburn, AL 36849 USA. [Wang, Jianhui] Argonne Natl Lab, Argonne, IL 60439 USA. RP Jabarnejad, M (reprint author), Auburn Univ, Dept Ind & Syst Engn, Auburn, AL 36849 USA. EM masood@auburn.edu; jianhui.wang@anl.gov; valenjo@auburn.edu NR 22 TC 2 Z9 2 U1 2 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 EI 1558-0679 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD MAY PY 2015 VL 30 IS 3 BP 1203 EP 1211 DI 10.1109/TPWRS.2014.2343944 PG 9 WC Engineering, Electrical & Electronic SC Engineering GA CG9MX UT WOS:000353641000009 ER PT J AU Qiu, F Wang, JH AF Qiu, Feng Wang, Jianhui TI Chance-Constrained Transmission Switching With Guaranteed Wind Power Utilization SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Chance constraint; mixed-integer linear program; transmission switching; wind energy ID SENSITIVITY-ANALYSIS; CORRECTIVE CONTROL; UNIT COMMITMENT; SECURITY; SYSTEM; OPTIMIZATION; MARKETS; FLOW; LINE AB Due to the significant variability and uncertainty of wind power over short time scales, high penetration of wind power can be problematic in an electric grid. One of the critical issues is how to keep increasing wind penetration without jeopardizing grid security and reliability. This paper explores the possibility of changing transmission network topology, by transmission switching, to accommodate higher utilization of wind power and reduce the generation costs of thermal units. Considering the uncertainty in wind power output, we use chance constraints to ensure that the wind energy utilized exceeds a minimal usage level at a certain probability. We develop a deterministic approximation approach using sample average approximation and provide a strong extended formulation. Numerical results show the potential benefit the proposed model can achieve. C1 [Qiu, Feng; Wang, Jianhui] Argonne Natl Lab, Decis & Informat Sci Div, Lemont, IL 60439 USA. RP Qiu, F (reprint author), Argonne Natl Lab, Decis & Informat Sci Div, 9700 S Cass Ave, Lemont, IL 60439 USA. EM fqiu@anl.gov; jianhui.wang@anl.gov FU Argonne, a U.S. Department of Energy Office of Science Laboratory [DE AC02-06CH11357]; U.S. Department of Energy (DOE) Office of Electricity Delivery and Energy Reliability 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 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 work was supported by the U.S. Department of Energy (DOE) Office of Electricity Delivery and Energy Reliability. Paper no. TPWRS-01423-2013. NR 35 TC 8 Z9 8 U1 3 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 EI 1558-0679 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD MAY PY 2015 VL 30 IS 3 BP 1270 EP 1278 DI 10.1109/TPWRS.2014.2346987 PG 9 WC Engineering, Electrical & Electronic SC Engineering GA CG9MX UT WOS:000353641000016 ER PT J AU Levin, T Botterud, A AF Levin, Todd Botterud, Audun TI Capacity Adequacy and Revenue Sufficiency in Electricity Markets With Wind Power SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Capacity adequacy; electricity markets; generation expansion; revenue sufficiency; wind power ID FLEXIBILITY AB We present a computationally efficient mixed-integer program (MIP) that determines optimal generator expansion decisions, as well as periodic unit commitment and dispatch. The model is applied to analyze the impact of increasing wind power capacity on the optimal generation mix and the profitability of thermal generators. In a case study, we find that increasing wind penetration reduces energy prices while the prices for operating reserves increase. Moreover, scarcity pricing for operating reserves through reserve shortfall penalties significantly impacts the prices and profitability of thermal generators. Without scarcity pricing, no thermal units are profitable, however scarcity pricing can ensure profitability for peaking units at high wind penetration levels. Capacity payments can also ensure profitability, but the payments required for baseload units to break even increase with the amount of wind power. The results indicate that baseload units are most likely to experience revenue sufficiency problems when wind penetration increases and new baseload units are only developed when natural gas prices are high and wind penetration is low. C1 [Levin, Todd; Botterud, Audun] Argonne Natl Lab, Argonne, IL 60437 USA. RP Levin, T (reprint author), Argonne Natl Lab, Argonne, IL 60437 USA. EM tlevin@anl.gov; abotterud@anl.gov FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy through its Wind and Water Power Program; U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy through its Wind and Water Power Program. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. Paper no. TPWRS-00203-2014. NR 26 TC 4 Z9 4 U1 1 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 EI 1558-0679 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD MAY PY 2015 VL 30 IS 3 BP 1644 EP 1653 DI 10.1109/TPWRS.2015.2403714 PG 10 WC Engineering, Electrical & Electronic SC Engineering GA CG9MX UT WOS:000353641000056 ER PT J AU Sun, HB Guo, QL Zhang, BM Guo, Y Li, ZS Wang, JH AF Sun, Hongbin Guo, Qinglai Zhang, Boming Guo, Ye Li, Zhengshuo Wang, Jianhui TI Master-Slave-Splitting Based Distributed Global Power Flow Method for Integrated Transmission and Distribution Analysis SO IEEE TRANSACTIONS ON SMART GRID LA English DT Article DE Distributed computation; distribution grid; integrated transmission and distribution; master-slave-splitting (MSS); power flow; transmission grid ID DISTRIBUTION-SYSTEMS; FEEDER RECONFIGURATION; CAPACITOR PLACEMENT; LOSS REDUCTION; LOAD FLOW; GENERATION; ALGORITHM; NETWORKS; MODEL AB With the recent rapid development of smart grid technology, the distribution grids become more active, and the interaction between transmission and distribution grids becomes more significant. However, in traditional power flow calculations, transmission and distribution grids are separated, which is not suitable for such future smart grids. To achieve a global unified power flow solution to support an integrated analysis for both transmission and distribution grids, we propose a global power flow (GPF) method that considers transmission and distribution grids as a whole in this paper. We construct GPF equations, and develop a master-slave-splitting (MSS) iterative method with convergence guarantee to alleviate boundary mismatches between the transmission and distribution grids. In our method, the GPF problem is split into a transmission power flow and a number of distribution power flow sub-problems, which supports on-line geographically distributed computation. Each sub-problem can be solved using a different power flow algorithm to capture the different features of transmission and distribution grids. An equivalent method is proposed to improve the convergence of the MSS-based GPF calculation for distribution grids that include loops. Numerical simulations validate the effectiveness of the proposed method, in particular when the distribution grid has loops or distributed generators. C1 [Sun, Hongbin; Guo, Qinglai; Zhang, Boming; Guo, Ye; Li, Zhengshuo] Tsinghua Univ, Dept Elect Engn, State Key Lab Power Syst, Beijing 100084, Peoples R China. [Wang, Jianhui] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL USA. RP Sun, HB (reprint author), Tsinghua Univ, Dept Elect Engn, State Key Lab Power Syst, Beijing 100084, Peoples R China. EM shb@tsinghua.edu.cn FU National Key Basic Research Program of China (973 Program) [2013CB228203]; National Science Fund for Distinguished Young Scholars [51025725]; Innovative Research Groups of the Natural Science Foundation of China (NSFC) [51321005]; NSFC [51277105]; U.S. Department of Energy (DOE) Office of Electricity Delivery and Energy Reliability FX This work was supported in part by the National Key Basic Research Program of China (973 Program) under Grant 2013CB228203, in part by the National Science Fund for Distinguished Young Scholars under Grant 51025725, in part by the Innovative Research Groups of the Natural Science Foundation of China (NSFC) under Grant 51321005, and in part by the NSFC under Grant 51277105. J. Wang's work is supported by the U.S. Department of Energy (DOE) Office of Electricity Delivery and Energy Reliability. NR 28 TC 9 Z9 10 U1 0 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1949-3053 EI 1949-3061 J9 IEEE T SMART GRID JI IEEE Trans. Smart Grid PD MAY PY 2015 VL 6 IS 3 BP 1484 EP 1492 DI 10.1109/TSG.2014.2336810 PG 9 WC Engineering, Electrical & Electronic SC Engineering GA CG7XT UT WOS:000353521500040 ER PT J AU Powell, JD Hess, BM Hutchison, JR Straub, TM AF Powell, Joshua D. Hess, Becky M. Hutchison, Janine R. Straub, Timothy M. TI Construction of an in vitro primary lung co-culture platform derived from New Zealand white rabbits SO IN VITRO CELLULAR & DEVELOPMENTAL BIOLOGY-ANIMAL LA English DT Article ID TRACHEAL EPITHELIAL-CELLS; RETINOIC ACID; DIFFERENTIATION; PHENOTYPE; CULTURE; ANTHRAX; STATE; MODEL C1 [Powell, Joshua D.; Hess, Becky M.; Hutchison, Janine R.; Straub, Timothy M.] Pacific NW Natl Lab, Chem & Biol Signature Sci Grp, Richland, WA 99352 USA. RP Powell, JD (reprint author), Pacific NW Natl Lab, Chem & Biol Signature Sci Grp, 902 Battelle Blvd,MSIN P7-50,POB 999, Richland, WA 99352 USA. EM joshua.powell@pnnl.gov FU Department of Homeland Security, Science and Technology Directorate [HSHQPM-14-X-00037]; United States Department of Energy [DE-AC06-76RLO] FX The Department of Homeland Security, Science and Technology Directorate provided the funding for this research through contract HSHQPM-14-X-00037 to Pacific Northwest National Laboratory. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the United States Department of Energy under contract DE-AC06-76RLO. Equipment and reagents reported in this research do not constitute an endorsement by Pacific Northwest National Laboratory or the United States Department of Homeland Security. NR 23 TC 0 Z9 0 U1 1 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1071-2690 EI 1543-706X J9 IN VITRO CELL DEV-AN JI In Vitro Cell. Dev. Biol.-Anim. PD MAY PY 2015 VL 51 IS 5 BP 433 EP 440 DI 10.1007/s11626-014-9853-z PG 8 WC Cell Biology; Developmental Biology SC Cell Biology; Developmental Biology GA CH2GF UT WOS:000353843000001 PM 25491427 ER PT J AU Sengupta, D Hawkins, TR Smith, RL AF Sengupta, Debalina Hawkins, Troy R. Smith, Raymond L. TI Using national inventories for estimating environmental impacts of products from industrial sectors: a case study of ethanol and gasoline SO INTERNATIONAL JOURNAL OF LIFE CYCLE ASSESSMENT LA English DT Article DE Biofuel; Biorefinery; Emission factors; Ethanol; Gasoline; National Emissions Inventory (NEI); Toxics Release Inventory ( TRI); Uncertainty ID LIFE-CYCLE ASSESSMENT; SUPPLY CHAINS; DESIGN AB In order to understand the environmental outcomes associated with the life cycle of a product, to compare these outcomes across products, or to design more sustainable supply chains, it is often desirable to estimate results for a reference supply chain representative of the conditions for a sector in a specific region. This paper, by examining ethanol and gasoline production processes, explains how choices made in the calculation of sector-representative emission factors can have a significant effect on the emission estimates used in life cycle assessments. This study estimates reference emission factors for United States dry-grind corn ethanol production and gasoline production processes suitable for use in baseline life cycle assessment unit processes. Based on facility-specific emissions and activity rates from the United States National Emissions Inventory, the Energy Information Administration, and an ethanol industry trade publication, the average emissions per unit energy content of fuel are computed using three different approaches. The Tool for the Reduction and Assessment of Chemical and Other Environmental Impacts (TRACI) characterization factors are used to estimate impact potentials for six environmental and three human health categories. Sector-specific direct emissions and impact potentials are compared across the three approaches and between the two sectors. The system boundary for this analysis is limited to the fuel production stage of these transportation fuel lifecycles. Findings from this work suggest that average emission factors based on total emissions and total production may significantly under estimate actual process emissions due to reporting thresholds and otherwise unreported emissions. Because of the potential for unreported emissions in regional inventories, it is more appropriate to estimate sector reference emission factors based on matched sets of facility or process level emissions and activity rates than to use aggregated totals. This study demonstrates a method which can be used for inventory development in cases where multiple facilities producing the same product are involved. C1 [Sengupta, Debalina] ORISE, Oak Ridge, TN 37830 USA. [Sengupta, Debalina; Hawkins, Troy R.; Smith, Raymond L.] US EPA, Sustainable Technol Div, Natl Risk Management Res Lab, Cincinnati, OH 45268 USA. RP Smith, RL (reprint author), US EPA, Sustainable Technol Div, Natl Risk Management Res Lab, Cincinnati, OH 45268 USA. EM smith.raymond@epa.gov FU EPA Office of Research and Development; Office of Research and Development, National Risk Management Research Laboratory, United States Environmental Protection Agency FX The work presented here was funded by the EPA Office of Research and Development. This project was supported in part by an appointment to the Research Participation Program at the Office of Research and Development, National Risk Management Research Laboratory, United States Environmental Protection Agency, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the United States Department of Energy and EPA. NR 31 TC 4 Z9 4 U1 0 U2 10 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0948-3349 EI 1614-7502 J9 INT J LIFE CYCLE ASS JI Int. J. Life Cycle Assess. PD MAY PY 2015 VL 20 IS 5 BP 597 EP 607 DI 10.1007/s11367-015-0859-x PG 11 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA CG8QF UT WOS:000353573800003 ER PT J AU Wilkins, RC Beaton-Green, LA Lachapelle, S Kutzner, BC Ferrarotto, C Chauhan, V Marro, L Livingston, GK Greene, HB Flegal, FN AF Wilkins, Ruth C. Beaton-Green, Lindsay A. Lachapelle, Sylvie Kutzner, Barbara C. Ferrarotto, Catherine Chauhan, Vinita Marro, Leonora Livingston, Gordon K. Greene, Hillary Boulay Flegal, Farrah N. TI Evaluation of the annual Canadian biodosimetry network intercomparisons SO INTERNATIONAL JOURNAL OF RADIATION BIOLOGY LA English DT Article DE Intercomparison; biodosimetry; dicentric chromosome assay; emergency response ID DICENTRIC CHROMOSOME ANALYSIS; RADIATION BIODOSIMETRY; BIOLOGICAL DOSIMETRY; CYTOGENETIC DOSIMETRY; MICRONUCLEUS ASSAY; VALIDATION; MANAGEMENT; TRIAGE AB Purpose: To evaluate the importance of annual intercomparisons for maintaining the capacity and capabilities of a well-established biodosimetry network in conjunction with assessing efficient and effective analysis methods for emergency response. Materials and methods: Annual intercomparisons were conducted between laboratories in the Canadian National Biological Dosimetry Response Plan. Intercomparisons were performed over a six-year period and comprised of the shipment of 10-12 irradiated, blinded blood samples for analysis by each of the participating laboratories. Dose estimates were determined by each laboratory using the dicentric chromosome assay (conventional and QuickScan scoring) and where possible the cytokinesis block micronucleus (CBMN) assay. Dose estimates were returned to the lead laboratory for evaluation and comparison. Results: Individual laboratories performed comparably from year to year with only slight fluctuations in performance. Dose estimates using the dicentric chromosome assay were accurate about 80% of the time and the QuickScan method for scoring the dicentric chromosome assay was proven to reduce the time of analysis without having a significant effect on the dose estimates. Although analysis with the CBMN assay was comparable to QuickScan scoring with respect to speed, the accuracy of the dose estimates was greatly reduced. Conclusions: Annual intercomparisons are necessary to maintain a network of laboratories for emergency response biodosimetry as they evoke confidence in their capabilities. C1 [Wilkins, Ruth C.; Beaton-Green, Lindsay A.; Lachapelle, Sylvie; Kutzner, Barbara C.; Ferrarotto, Catherine; Chauhan, Vinita; Marro, Leonora] Hlth Canada, Environm Radiat & Hlth Sci Directorate, Ottawa, ON K1A 1C1, Canada. [Livingston, Gordon K.] Oak Ridge Associated Univ, REAC TS, REM, Oak Ridge, TN USA. [Greene, Hillary Boulay] Def R&D Canada Ottawa Res Ctr, Radiol & Nucl Def & Nav Warfare, Ottawa, ON, Canada. [Flegal, Farrah N.] Canadian Nucl Labs Ltd, Chalk River, ON, Canada. RP Wilkins, RC (reprint author), Hlth Canada, Environm Radiat & Hlth Sci Directorate, 775 Brookfield Rd, Ottawa, ON K1A 1C1, Canada. EM Ruth.Wilkins@hc-sc.gc.ca OI Beaton-Green, Lindsay/0000-0002-6005-7768 NR 28 TC 10 Z9 10 U1 0 U2 3 PU INFORMA HEALTHCARE PI LONDON PA TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND SN 0955-3002 EI 1362-3095 J9 INT J RADIAT BIOL JI Int. J. Radiat. Biol. PD MAY PY 2015 VL 91 IS 5 BP 443 EP 451 DI 10.3109/09553002.2015.1012305 PG 9 WC Biology; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA CH3GQ UT WOS:000353917700008 PM 25670072 ER PT J AU Huang, X Song, Y Zhao, C Cai, XH Zhang, HS Zhu, T AF Huang, Xin Song, Yu Zhao, Chun Cai, Xuhui Zhang, Hongsheng Zhu, Tong TI Direct Radiative Effect by Multicomponent Aerosol over China SO JOURNAL OF CLIMATE LA English DT Article ID GASEOUS NITRIC-ACID; ANTHROPOGENIC SULFATE AEROSOLS; COMPLEX REFRACTIVE-INDEX; ATMOSPHERIC BLACK CARBON; MINERAL DUST PARTICLES; YANGTZE DELTA REGION; SULFUR-DIOXIDE; EAST-ASIA; CHEMICAL-COMPOSITION; SEASONAL-VARIATIONS AB The direct radiative effect (DRE) of multiple aerosol species [sulfate, nitrate, ammonium, black carbon (BC), organic carbon (OC), and mineral aerosol] and their spatiotemporal variations over China were investigated using a fully coupled meteorology-chemistry model [Weather Research and Forecasting (WRF) Model coupled with Chemistry (WRF-Chem)] for the entire year of 2006. This study made modifications to improve the model performance, including updating land surface parameters, improving the calculation of transition-metal-catalyzed oxidation of SO2, and adding heterogeneous reactions between mineral dust aerosol and acid gases. The modified model generally reproduced the magnitude, seasonal pattern, and spatial distribution of the measured meteorological conditions, concentrations of PM10 and its components, and aerosol optical depth (AOD), although some low biases existed in modeled aerosol concentrations. A diagnostic iteration method was used to estimate the overall DRE of aerosols and contributions from different components. At the land surface, the incident net radiation flux was reduced by 10.2 W m(-2) over China. Aerosols significantly warmed the atmosphere with the national mean DRE of +10.8 W m(-2). BC was the leading radiative heating component (+8.7 W m(-2)), followed by mineral aerosol (+1.1 W m(-2)). At the top of the atmosphere (TOA), BC introduced the largest radiative perturbation (+4.5 W m(-2)), followed by sulfate (-1.4 W m(-2)). The overall perturbation of aerosols on radiation transfer is quite small over China, demonstrating the counterbalancing effect between scattering and adsorbing aerosols. Aerosol DRE at the TOA had distinct seasonality, generally with a summer maximum and winter minimum, mainly determined by mass loadings, hygroscopic growth, and incident radiation flux. C1 [Huang, Xin] Peking Univ, Dept Environm Sci, State Key Joint Lab Environm Simulat & Pollut Con, Beijing, Peoples R China. [Huang, Xin] Nanjing Univ, Inst Climate & Global Change Res, Nanjing 210008, Jiangsu, Peoples R China. [Huang, Xin] Nanjing Univ, Sch Atmospher Sci, Nanjing 210008, Jiangsu, Peoples R China. [Huang, Xin] Jiangsu Collaborat Innovat Ctr Climate Change, Nanjing, Jiangsu, Peoples R China. [Song, Yu; Cai, Xuhui; Zhu, Tong] Peking Univ, State Key Joint Lab Environm Simulat & Pollut Con, Dept Environm Sci, Beijing 100871, Peoples R China. [Zhao, Chun] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Zhang, Hongsheng] Peking Univ, Sch Phys, Beijing 100871, Peoples R China. RP Song, Y (reprint author), Peking Univ, Room 211,Lao Di Xue Bldg,5 Yiheyuan Rd, Beijing 100871, Peoples R China. EM songyu@pku.edu.cn; tzhu@pku.edu.cn RI ZHU, TONG/H-6501-2011; SONG, Yu/C-2287-2015; Zhao, Chun/A-2581-2012; Huang, Xin/K-3767-2016 OI SONG, Yu/0000-0002-2455-2999; Zhao, Chun/0000-0003-4693-7213; FU National Natural Science Foundation of China [41275155, 41121004]; Public Welfare Projects for Environmental Protection [201309009]; National Key Basic Research Program of China [2010CB428501, 2011CB403401]; Jiangsu Provincial Program (Collaborative Innovation Center of Climate Change); U.S. DOE; DOE by Battelle Memorial Institute [DE-AC05-76RL01830] FX This work is supported by the National Natural Science Foundation of China under Grants 41275155 and 41121004, the Public Welfare Projects for Environmental Protection (201309009), the National Key Basic Research Program of China (2010CB428501 and 2011CB403401), and the Jiangsu Provincial 2011 Program (Collaborative Innovation Center of Climate Change). Dr. Chun Zhao acknowledges the support by the U.S. DOE as part of the Regional and Global Climate Modeling program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under Contract DE-AC05-76RL01830. We thank Prof. Xiaoye Zhang for providing CAWNET observational data and the anonymous reviewers for their valuable comments, which greatly improved the quality of the manuscript. NR 142 TC 10 Z9 10 U1 8 U2 48 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 MAY 1 PY 2015 VL 28 IS 9 BP 3472 EP 3495 DI 10.1175/JCLI-D-14-00365.1 PG 24 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CH2EJ UT WOS:000353838200003 ER PT J AU Yang, YT Kuo, HC Hendricks, EA Liu, YC Peng, MS AF Yang, Yi-Ting Kuo, Hung-Chi Hendricks, Eric A. Liu, Yi-Chin Peng, Melinda S. TI Relationship between Typhoons with Concentric Eyewalls and ENSO in the Western North Pacific Basin SO JOURNAL OF CLIMATE LA English DT Article ID TROPICAL CYCLONE INTENSITY; EL-NINO; INTERANNUAL VARIABILITY; RAPID FILAMENTATION; STORM FORMATION; EVENTS; EYE; SIMULATION; GENESIS; VORTEX AB The typhoons with concentric eyewalls (CE) over the western North Pacific in different phases of the El Nino-Southern Oscillation (ENSO) between 1997 and 2012 are studied. They find a good correlation (0.72) between the annual CE typhoon number and the oceanic Nino index (ONI), with most of the CE typhoons occurring in the warm and neutral episodes. In the warm (neutral) episode, 55% (50%) of the typhoons possessed a CE structure. In contrast, only 25% of the typhoons possessed a CE structure in the cold episode. The CE formation frequency is also significantly different with 0.9 (0.2) CEs per month in the warm (cold) episode. There are more long-lived CE cases (CE structure maintained more than 20 h) and typhoons with multiple CE formations in the warm episodes. There are no typhoons with multiple CE formations in the cold episode. The warm episode CE typhoons generally have a larger size, stronger intensity, and smaller variation in convective activity and intensity. This may be due to the fact that the CE formation location is farther east in the warm episodes. Shifts in CE typhoon location with favorable conditions thus produce long-lived CE typhoons and multiple CE formations. The multiple CE formations may lead to expansion of the typhoon size. C1 [Yang, Yi-Ting] Off Disaster Management, New Taipei City, Taiwan. [Kuo, Hung-Chi] Natl Taiwan Univ, Dept Atmospher Sci, Taipei 10617, Taiwan. [Hendricks, Eric A.; Peng, Melinda S.] Naval Res Lab, Marine Meteorol Div, Monterey, CA USA. [Liu, Yi-Chin] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kuo, HC (reprint author), Natl Taiwan Univ, Dept Atmospher Sci, 1,Sec 4,Roosevelt Rd, Taipei 10617, Taiwan. EM kuo@as.ntu.edu.tw OI KUO, HUNG-CHI/0000-0001-9102-5104 FU Ministry of Science and Technology, Taiwan [MOST 103-2111-M-002-010, MOST 103-2625-M-002-003, MOST 100-2111-M-002-004-MY3, NTU-CESRP-103R7604-1]; U.S. Office of Naval Research NICOP [N62909-11-1-7096] FX This research is sponsored by Ministry of Science and Technology, Taiwan, under Grants MOST 103-2111-M-002-010, MOST 103-2625-M-002-003, MOST 100-2111-M-002-004-MY3, and NTU-CESRP-103R7604-1 and by the U.S. Office of Naval Research NICOP Grant N62909-11-1-7096. We appreciate the comments of the three anomalous reviewers; their reviews helped us to improve the manuscript greatly. NR 35 TC 1 Z9 1 U1 0 U2 18 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 MAY 1 PY 2015 VL 28 IS 9 BP 3612 EP 3623 DI 10.1175/JCLI-D-14-00541.1 PG 12 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA CH2EJ UT WOS:000353838200010 ER PT J AU Varadharajan, C Han, RY Beller, HR Yang, L Marcus, MA Michel, M Nico, PS AF Varadharajan, Charuleka Han, Ruyang Beller, Harry R. Yang, Li Marcus, Matthew A. Michel, Marc Nico, Peter S. TI Characterization of Chromium Bioremediation Products in Flow-Through Column Sediments Using Micro-X-ray Fluorescence and X-ray Absorption Spectroscopy SO JOURNAL OF ENVIRONMENTAL QUALITY LA English DT Article ID CHROMATE REDUCTION; HEXAVALENT CHROMIUM; CR(VI) REDUCTION; FERROUS IRON; SURFACES; KINETICS; BACTERIA; IFEFFIT; SOIL AB Microbially mediated reductive immobilization of chromium is a possible remediation technique for sites contaminated with Cr(VI). This study is part of a broader effort investigating the biogeochemical mechanisms for Cr(VI) reduction in Hanford 100H aquifer sediments using flow-through laboratory columns. It had previously been shown that reduced chromium in the solid phase was in the form of freshly precipitated mixed-phase Cr(III)-Fe(III) (hydr)oxides, irrespective of the biogeochemical conditions in the columns. In this study, the reduced Cr phases in the columns were investigated further using spectroscopy to understand the structure and mechanisms involved in the formation of the end products. Several samples representing potential processes that could be occurring in the columns were synthesized in the laboratory and characterized using X-ray absorption near edge structure (XANES) and X-ray scattering. The XANES of Cr(III) particles in the columns most closely resembled those from synthetic samples produced by the abiotic reaction of Cr(VI) with microbially reduced Fe(II). Microbially mediated Cr-Fe reduction products were distinct from abiotic Cr-Fe (hydr) oxides [CrxFe1-x(OH)(3)] and organically complexed Cr(III) sorbed onto the surface of a mixed ferrihydrite-goethite mineral phase. Furthermore, analyses of the abiotically synthesized samples revealed that even the end products of purely abiotic, iron-mediated reduction of Cr(VI) are affected by factors such as the presence of excess aqueous Fe(II) and cellular matter. These results suggest that CrxFe1-x(OH)(3) phases made under realistic subsurface conditions or in biotic cultures are structurally different from pure Cr(OH)(3) or laboratory-synthesized CrxFe1-x(OH)(3). The observed structural differences imply that the reactivity and stability of biogenic CrxFe1-x(OH)(3) could potentially be different from that of abiotic CrxFe1-x(OH)(3). C1 [Varadharajan, Charuleka; Han, Ruyang; Beller, Harry R.; Yang, Li; Nico, Peter S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Han, Ruyang] Univ Calif Davis, Dept Plant Sci, USDA ARS, Albany, CA 94710 USA. [Marcus, Matthew A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Michel, Marc] Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. RP Varadharajan, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM cvaradharajan@lbl.gov RI Beller, Harry/H-6973-2014; Nico, Peter/F-6997-2010; YANG, LI/F-9392-2010; Varadharajan, Charuleka/G-3741-2015 OI Nico, Peter/0000-0002-4180-9397; Varadharajan, Charuleka/0000-0002-4142-3224 FU Sustainable Systems Scientific Focus Area - US Department of Energy, Office of Science, Office of Biological and Environmental Resources [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported as part of the Sustainable Systems Scientific Focus Area funded by the US Department of Energy, Office of Science, Office of Biological and Environmental Resources under Award Number DE-AC02-05CH11231. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under contract no. DE-AC02-05CH11231. Spectroscopic data were also collected at the Stanford Synchrotron Radiation Lightsource, a Directorate of SLAC National Accelerator Laboratory and an Office of Science User Facility operated for the US Department of Energy Office of Science by Stanford University. The authors thank Sirine Fakra, Ruth Tinnacher, Hiram-Castillo Michel, Mike Massey, John Bargar, Sam Webb, and Benjamin Kocar for help with the collection of synchrotron data; Joern Larsen and April Van Hise for conducting the ICP-MS analyses at LBNL; and thank associate editor Markus Grafe and the two anonymous reviewers who provided helpful comments for revising the manuscript. NR 36 TC 4 Z9 4 U1 1 U2 27 PU AMER SOC AGRONOMY PI MADISON PA 677 S SEGOE RD, MADISON, WI 53711 USA SN 0047-2425 EI 1537-2537 J9 J ENVIRON QUAL JI J. Environ. Qual. PD MAY-JUN PY 2015 VL 44 IS 3 BP 729 EP 738 DI 10.2134/jeq2014.08.0329 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA CG9LP UT WOS:000353637200003 PM 26024254 ER PT J AU Lin, A Merkley, ED Clowers, BH Hutchison, JR Kreuzer, HW AF Lin, Andy Merkley, Eric D. Clowers, Brian H. Hutchison, Janine R. Kreuzer, Helen W. TI Effects of bacterial inactivation methods on downstream proteomic analysis SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article DE Liquid chromatography tandem mass spectrometry; Microbial inactivation; Proteomics; Enterobacteriaceae ID TANDEM MASS-SPECTRA; ESCHERICHIA-COLI; OUTER-MEMBRANE; PROTEIN IDENTIFICATIONS; SHOTGUN PROTEOMICS; GAMMA-IRRADIATION; ACID RESISTANCE; SOFTWARE TOOL; SPECTROMETRY; CHAPERONE AB Inactivation of pathogenic microbial samples is often necessary for the protection of researchers and to comply with local and federal regulations. By its nature, biological inactivation causes changes to microbial samples, potentially affecting observed experimental results. While inactivation-induced damage to materials such as DNA has been evaluated, the effect of various inactivation strategies on proteomic data, to our knowledge, has not been discussed. To this end, we inactivated samples of Yersinia pestis and Escherichia coil by autoclave, ethanol, or irradiation treatment to determine how inactivation changes liquid chromatography-tandem mass spectrometry data quality as well as apparent protein content of cells. Proteomic datasets obtained from aliquots of samples inactivated by different methods were highly similar, with Pearson correlation coefficients ranging from 0.822 to 0.985 and 0.816 to 0.985 for E. coil and Y. pestis, respectively, suggesting that inactivation had only slight impacts on the set of proteins identified. In addition, spectral quality metrics such as distributions of various database search algorithm scores remained constant across inactivation methods, indicating that inactivation does not appreciably degrade spectral quality. Though overall changes resulting from inactivation were small, there were detectable trends. For example, one-sided Fischer exact tests determined that periplasmic proteins decrease in observed abundance after sample inactivation by autoclaving (alpha = 1.71 x 10(-2) for E. coli, alpha = 4.97 x 10(-4) for Y. pestis) and irradiation (alpha = 9.43 x 10(-7) for E. coli, alpha = 1.21 x 10(-5) for Y. pestis) when compared to controls that were not inactivated. Based on our data, if sample inactivation is necessary, we recommend inactivation with ethanol treatment with secondary preference given to irradiation. (C) 2015 Elsevier B.V. All rights reserved. C1 [Lin, Andy; Merkley, Eric D.; Clowers, Brian H.; Hutchison, Janine R.; Kreuzer, Helen W.] Pacific NW Natl Lab, Natl Secur Directorate, Signatures Sci & Technol Div, Richland, WA 99352 USA. [Clowers, Brian H.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. RP Kreuzer, HW (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-50, Richland, WA 99352 USA. EM Helen.Kreuzer@pnnl.gov OI Lin, Andy/0000-0003-0072-612X FU Defense Threat Reduction Agency Basic Research Program [DTRA10027IA]; Office Biological and Environmental Research; United States Department of Energy [DE-AC06-76RLO] FX Funding for this work was provided to Pacific Northwest National Laboratory by the Defense Threat Reduction Agency Basic Research Program under DTRA10027IA. We thank Aaron C. Robinson and Heather Engelmann for preliminary work. We also thank Alice Dohnalkova for her help with TEM analysis. A portion of the research was performed using the W.R. Wiley Environmental Molecular Science Laboratory (EMSL), a Department of Energy Office of Science User Facility sponsored by the Office Biological and Environmental Research and located at Pacific Northwest National Laboratory. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the United States Department of Energy under contract DE-AC06-76RLO. NR 42 TC 1 Z9 1 U1 1 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 EI 1872-8359 J9 J MICROBIOL METH JI J. Microbiol. Methods PD MAY PY 2015 VL 112 BP 3 EP 10 DI 10.1016/j.mimet.2015.01.015 PG 8 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA CG6QL UT WOS:000353426900002 PM 25620019 ER PT J AU Xue, GB Fan, CC Wu, JK Liu, S Liu, YJ Chen, HZ Xin, HL Li, HY AF Xue, Guobiao Fan, Congcheng Wu, Jiake Liu, Shuang Liu, Yujing Chen, Hongzheng Xin, Huolin L. Li, Hanying TI Ambipolar charge transport of TIPS-pentacene single-crystals grown from non-polar solvents SO MATERIALS HORIZONS LA English DT Article ID FIELD-EFFECT TRANSISTORS; LIGHT-EMITTING TRANSISTORS; SELF-ASSEMBLED MONOLAYERS; THIN-FILM TRANSISTORS; ORGANIC SEMICONDUCTORS; N-TYPE; PERFORMANCE; MOBILITY; POLYMER; POLYSTYRENE AB Charge transport of solution-grown TIPS-pentacene single-crystals depends on the polarity of the used solvents. Crystals grown from non-polar solvents exhibit ambipolar transport (mu(e) 0.020 cm(2) V-1 s(-1); mu(h) 5.0 cm(2) V-1 s(-1)), while polar solvents suppress electron transport. This work indicates that appropriate selection of solvents should further harvest the n-type behaviors of organic semiconductors. C1 [Xue, Guobiao; Fan, Congcheng; Wu, Jiake; Liu, Shuang; Liu, Yujing; Chen, Hongzheng; Li, Hanying] Zhejiang Univ, Dept Polymer Sci & Engn, MOE Key Lab Macromol Synth & Functionalizat, State Key Lab Silicon Mat, Hangzhou 310027, Zhejiang, Peoples R China. [Liu, Yujing; Xin, Huolin L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Li, HY (reprint author), Zhejiang Univ, Dept Polymer Sci & Engn, MOE Key Lab Macromol Synth & Functionalizat, 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 FU 973 Program [2014CB643503]; National Natural Science Foundation of China [51222302, 51373150, 51461165301, 91233114]; Zhejiang Province Natural Science Foundation [LZ13E030002]; Fundamental Research Funds for the Central Universities; Center for Functional Nanomaterials, Brookhaven National Laboratory - U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; China Scholarship Council (CSC) FX This work was supported by the 973 Program (2014CB643503), National Natural Science Foundation of China (51222302, 51373150, 51461165301, 91233114), Zhejiang Province Natural Science Foundation (LZ13E030002), and Fundamental Research Funds for the Central Universities. HLX is supported by 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. YJL thanks China Scholarship Council (CSC) for financial support. NR 60 TC 15 Z9 15 U1 11 U2 75 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 2051-6347 EI 2051-6355 J9 MATER HORIZ JI Mater. Horizons PD MAY PY 2015 VL 2 IS 3 BP 344 EP 349 DI 10.1039/c4mh00211c PG 6 WC Chemistry, Multidisciplinary; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA CG8TS UT WOS:000353586300010 ER PT J AU Runnels, SR AF Runnels, Scott R. TI Capturing plasticity effects in overdriven shocks on the finite scale SO MATHEMATICS AND COMPUTERS IN SIMULATION LA English DT Article DE Shocks; Plasticity; Hardening; Hydrodynamics; Radial return ID HYDRODYNAMICS; METALS; MODEL AB An ordinary differential equation (ODE) form of the radial return algorithm, which is essentially a Prandtl-Reuss material model, is combined with a strain-rate hardening model to produce an ODE that describes deviatoric stress through a prescribed density rise. An analytical solution is found to the resulting ODE for a specific choice of one of the hardening model's parameters. That solution is used to prove that if the prescribed density rise is allowed to be infinitely thin, i.e., like a shock in the mathematical sense, the resulting deviatoric stress is still bounded. In other words, the singularity is integrable; integration of the radial return ODE regularizes the infinite strain rate and resulting yield stress in the presence of an ideal shock singularity. The analytical tools developed for this line of thinking are applied to study the variation of deviatoric stress through a nearly shock-like density rise using different density rise profiles, revealing the impact of the shape choice. The tools are also used to compute what rise times are needed to converge upon the correct value of deviatoric stress through a shock; the results indicate that most contemporary hydrocodes cannot be expected to achieve those rise times. A demonstration of connecting the analytical tools to a hydrocode, using surrogate numerical shock shapes, is provided thereby opening the door for using such surrogates to perform sub-grid computations of converged shock behavior for strain-rate hardening materials. (C) 2015 International Association for Mathematics and Computers in Simulation (IMACS). Published by Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Runnels, SR (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM SRunnels@LANL.gov FU U.S. Department of Energy's NNSA by the Los Alamos National Laboratory [DE-AC52-06NA25396] FX The author thanks Ted Carney for his software in which the Gruneisen equation of state was implemented and verified, along with his implementation of the elastic perfectly-plastic solution of [18]. The author also thanks the Materials Working Group at Los Alamos National Laboratory, in particular, Tom Canfield, and especially, Len Margolin for their insights. This work was performed under the auspices of the U.S. Department of Energy's NNSA by the Los Alamos National Laboratory, operated by Los Alamos National Security, LLC, under contract number DE-AC52-06NA25396. This article was released as LA-UR-13-28557. NR 23 TC 0 Z9 0 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-4754 EI 1872-7166 J9 MATH COMPUT SIMULAT JI Math. Comput. Simul. PD MAY PY 2015 VL 111 BP 63 EP 79 DI 10.1016/j.matcom.2014.12.006 PG 17 WC Computer Science, Interdisciplinary Applications; Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA CH2KQ UT WOS:000353854500005 ER PT J AU Wullschleger, SD Breen, AL Iversen, CM Olson, MS Nasholm, T Ganeteg, U Wallenstein, MD Weston, DJ AF Wullschleger, Stan D. Breen, Amy L. Iversen, Colleen M. Olson, Matthew S. Nasholm, Torgny Ganeteg, Ulrika Wallenstein, Matthew D. Weston, David J. TI Genomics in a changing arctic: critical questions await the molecular ecologist SO MOLECULAR ECOLOGY LA English DT News Item DE boreal forest; climate change; genomics; microbiome; shrubs; tundra ID AMINO-ACID PERMEASE; SOIL MICROBIAL COMMUNITIES; POPULUS-BALSAMIFERA L.; ORGANIC NITROGEN; CLIMATE-CHANGE; ECOTYPIC DIFFERENTIATION; ERIOPHORUM-VAGINATUM; LATITUDINAL GRADIENT; PHOSPHATE ABSORPTION; SPECIES-DIVERSITY AB Molecular ecology is poised to tackle a host of interesting questions in the coming years. The Arctic provides a unique and rapidly changing environment with a suite of emerging research needs that can be addressed through genetics and genomics. Here we highlight recent research on boreal and tundra ecosystems and put forth a series of questions related to plant and microbial responses to climate change that can benefit from technologies and analytical approaches contained within the molecular ecologist's toolbox. These questions include understanding (i) the mechanisms of plant acquisition and uptake of N in cold soils, (ii) how these processes are mediated by root traits, (iii) the role played by the plant microbiome in cycling C and nutrients within high-latitude ecosystems and (iv) plant adaptation to extreme Arctic climates. We highlight how contributions can be made in these areas through studies that target model and nonmodel organisms and emphasize that the sequencing of the Populus and Salix genomes provides a valuable resource for scientific discoveries related to the plant microbiome and plant adaptation in the Arctic. Moreover, there exists an exciting role to play in model development, including incorporating genetic and evolutionary knowledge into ecosystem and Earth System Models. In this regard, the molecular ecologist provides a valuable perspective on plant genetics as a driver for community biodiversity, and how ecological and evolutionary forces govern community dynamics in a rapidly changing climate. C1 [Wullschleger, Stan D.; Iversen, Colleen M.] Oak Ridge Natl Lab, Div Environm Sci, Climate Change Sci Inst, Oak Ridge, TN 37831 USA. [Breen, Amy L.] Univ Alaska Fairbanks, Int Arctic Res Ctr, Fairbanks, AK 99775 USA. [Olson, Matthew S.] Texas Tech Univ, Dept Biol Sci, Lubbock, TX 79409 USA. [Nasholm, Torgny] SLU, Dept Forest Ecol & Management, SE-90183 Umea, Sweden. [Nasholm, Torgny; Ganeteg, Ulrika] SLU, Dept Forest Genet & Plant Physiol, Umea Plant Sci Ctr, SE-90183 Umea, Sweden. [Wallenstein, Matthew D.] Colorado State Univ, Dept Ecosyst Sci & Sustainabil, Ft Collins, CO 80523 USA. [Wallenstein, Matthew D.] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA. [Weston, David J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Wullschleger, SD (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Climate Change Sci Inst, POB 2008, Oak Ridge, TN 37831 USA. EM wullschlegsd@ornl.gov RI Wallenstein, Matthew/C-6441-2008; Wullschleger, Stan/B-8297-2012 OI Wallenstein, Matthew/0000-0002-6219-1442; Wullschleger, Stan/0000-0002-9869-0446 NR 108 TC 2 Z9 2 U1 5 U2 73 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 MAY PY 2015 VL 24 IS 10 BP 2301 EP 2309 DI 10.1111/mec.13166 PG 9 WC Biochemistry & Molecular Biology; Ecology; Evolutionary Biology SC Biochemistry & Molecular Biology; Environmental Sciences & Ecology; Evolutionary Biology GA CH3WM UT WOS:000353961500002 PM 25809088 ER PT J AU Yuan, ML Dean, SH Longo, AV Rothermel, BB Tuberville, TD Zamudio, KR AF Yuan, Michael L. Dean, Samantha H. Longo, Ana V. Rothermel, Betsie B. Tuberville, Tracey D. Zamudio, Kelly R. TI Kinship, inbreeding and fine-scale spatial structure influence gut microbiota in a hindgut-fermenting tortoise SO MOLECULAR ECOLOGY LA English DT Article DE 16S rRNA sequencing; faecal microbiota; gopher tortoise; Gopherus polyphemus; microbial diversity; microsatellites ID GOPHERUS-POLYPHEMUS; INTESTINAL MICROBIOTA; BACTERIAL COMMUNITY; PHYLOGENETIC DIVERSITY; MICROSATELLITE LOCI; CAPTIVE ANIMALS; MARINE IGUANAS; FECAL SAMPLES; POPULATION; DIET AB Herbivorous vertebrates rely on complex communities of mutualistic gut bacteria to facilitate the digestion of celluloses and hemicelluloses. Gut microbes are often convergent based on diet and gut morphology across a phylogenetically diverse group of mammals. However, little is known about microbial communities of herbivorous hindgut-fermenting reptiles. Here, we investigate how factors at the individual level might constrain the composition of gut microbes in an obligate herbivorous reptile. Using multiplexed 16S rRNA gene sequencing, we characterized the faecal microbial community of a population of gopher tortoises (Gopherus polyphemus) and examined how age, genetic diversity, spatial structure and kinship influence differences among individuals. We recovered phylotypes associated with known cellulolytic function, including candidate phylum Termite Group 3, suggesting their importance for gopher tortoise digestion. Although host genetic structure did not explain variation in microbial composition and community structure, we found that fine-scale spatial structure, inbreeding, degree of relatedness and possibly ontogeny shaped patterns of diversity in faecal microbiomes of gopher tortoises. Our findings corroborate widespread convergence of faecal-associated microbes based on gut morphology and diet and demonstrate the role of spatial and demographic structure in driving differentiation of gut microbiota in natural populations. C1 [Yuan, Michael L.; Longo, Ana V.; Zamudio, Kelly R.] Cornell Univ, Dept Ecol & Evolutionary Biol, Ithaca, NY 14853 USA. [Yuan, Michael L.; Dean, Samantha H.; Rothermel, Betsie B.] Archbold Biol Stn, Venus, FL 33960 USA. [Tuberville, Tracey D.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Yuan, ML (reprint author), Cornell Univ, Dept Ecol & Evolutionary Biol, Ithaca, NY 14853 USA. EM mly26@cornell.edu RI Longo, Ana/L-2129-2015; Zamudio, Kelly/R-3533-2016 OI Longo, Ana/0000-0002-5112-1246; Zamudio, Kelly/0000-0001-5107-6206 FU Gopher Tortoise Council; Chicago Herpetological Society; Dextra Undergraduate Research Endowment Fund; Cornell College of Agriculture and Life Sciences Alumni Association; Fredric N. Gabler '93 Memorial Research Honors Endowment; Cornell Chapter of Sigma Xi; Jane E. Brody Undergraduate Research Award; National Academy of Sciences; Disney Worldwide Conservation Fund; College of Arts and Sciences, Cornell University; Department of Energy [DE-FC09-07SR22506] FX Samples were collected under Florida Fish & Wildlife Conservation Commission scientific collecting permits (LSSC-10-00043A and LSSC-10-00043B) using protocols approved by Archbold Biological Station and Cornell University IACUCs. We thank RE Ley for advice on sample collection and study design. We thank K Uy and P Muralidhar for guidance on microsatellites, and BR Kreiser and DL Gaillard for prepublication access to microsatellite primers. We thank ZM Walton for help with data entry, and A Ellison, C Chui and P Muralidhar for advice on data analysis. For help in the field, we thank K Moses and S Dillon. Members of the Zamudio Laboratory, IJ Lovette and an anonymous honours thesis reviewer provided useful comments in the early stages of this manuscript. Funding was provided by the Gopher Tortoise Council, Chicago Herpetological Society, Dextra Undergraduate Research Endowment Fund, Cornell College of Agriculture and Life Sciences Alumni Association, Fredric N. Gabler '93 Memorial Research Honors Endowment, Cornell Chapter of Sigma Xi, Jane E. Brody Undergraduate Research Award, and a Grant-In-id of research from the National Academy of Sciences administered by Sigma Xi (to MLY). Additional funding was provided by the Disney Worldwide Conservation Fund (to BBR), College of Arts and Sciences, Cornell University (to KRZ), and Department of Energy Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation (to TDT). NR 120 TC 5 Z9 5 U1 12 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 MAY PY 2015 VL 24 IS 10 BP 2521 EP 2536 DI 10.1111/mec.13169 PG 16 WC Biochemistry & Molecular Biology; Ecology; Evolutionary Biology SC Biochemistry & Molecular Biology; Environmental Sciences & Ecology; Evolutionary Biology GA CH3WM UT WOS:000353961500018 PM 25809385 ER PT J AU Syal, MB Schultz, PH Riner, MA AF Syal, Megan Bruck Schultz, Peter H. Riner, Miriam A. TI Darkening of Mercury's surface by cometary carbon SO NATURE GEOSCIENCE LA English DT Article ID MAJOR-ELEMENT COMPOSITION; INTERPLANETARY DUST; ANTARCTIC SNOW; 81P/WILD-2; MICROMETEORITES; REFLECTANCE; PARTICLES; MESSENGER; DEPOSITS; WATER AB Mercury's surface is darker than that of the Moon(1,2). Ironbearing minerals and submicroscopic metallic iron produced by space weathering are the primary known darkening materials on airless bodies. Yet Mercury's iron abundance at the surface is lower than the Moon's(3,4); another material is therefore likely to be responsible for Mercury's dark surface(1,2,5-8). Enhanced darkening by submicroscopic metallic iron particles under intense space weathering at Mercury's surface(9-12) is insufficient to reconcile the planet's low reflectance with its low iron abundance(12). Here we show that the delivery of cometary carbon by micrometeorites provides a mechanism to darken Mercury's surface without violating observational constraints on iron content. We calculate the micrometeorite flux at Mercury and numerically simulate the fraction of carbonaceous material retained by the planet following micrometeorite impacts. We estimate that 50 times as many carbon-rich micrometeorites per unit surface area are delivered to Mercury, compared with the Moon, resulting in approximately 3-6 wt% carbon at Mercury's surface (in graphite, amorphous, or nanodiamond form). Spectroscopic analysis of products of hypervelocity impact experiments demonstrates that the incorporation of carbon effectively darkens and weakens spectral features, consistent with remote observations of Mercury(1,2,5-8,12). Carbon delivery by micrometeorites provides an explanation for Mercury's globally low reflectance and may contribute to the darkening of planetary surfaces elsewhere. C1 [Syal, Megan Bruck] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Schultz, Peter H.] Brown Univ, Dept Earth Environm & Planetary Sci, Providence, RI 02912 USA. [Riner, Miriam A.] Planetary Sci Inst, Tucson, AZ 85719 USA. RP Syal, MB (reprint author), Lawrence Livermore Natl Lab, POB 808 L 405, Livermore, CA 94551 USA. EM syal1@llnl.gov FU NASA's Planetary Geology & Geophysics program [NNX13AB75G]; NESSF program [NNXC12AL79H] FX This research was supported by NASA's Planetary Geology & Geophysics (NNX13AB75G) and NESSF (NNXC12AL79H) programs. The authors thank T. Daly and T. Hiroi for assistance with sample analysis and gratefully acknowledge the technical team at the Ames Vertical Gun Range for supporting the impact experiments. NR 30 TC 15 Z9 15 U1 2 U2 7 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 MAY PY 2015 VL 8 IS 5 BP 352 EP 356 DI 10.1038/NGEO2397 PG 5 WC Geosciences, Multidisciplinary SC Geology GA CG9MO UT WOS:000353640100009 ER PT J AU Panitkin, S AF Panitkin, Sergey TI Look to the clouds and beyond SO NATURE PHYSICS LA English DT Editorial Material C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Panitkin, S (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM panitkin@bnl.gov NR 4 TC 0 Z9 0 U1 0 U2 1 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 MAY PY 2015 VL 11 IS 5 BP 373 EP 374 DI 10.1038/nphys3319 PG 3 WC Physics, Multidisciplinary SC Physics GA CH1JA UT WOS:000353776400004 ER PT J AU Deffner, S AF Deffner, Sebastian TI TEN YEARS OF NATURE PHYSICS From spooky foundations SO NATURE PHYSICS LA English DT News Item ID SYSTEMS C1 Los Alamos Natl Lab, Ctr Nonlinear Studies, Div Theoret, Los Alamos, NM 87545 USA. RP Deffner, S (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, Div Theoret, Los Alamos, NM 87545 USA. EM sebastian.deffner@gmail.com RI Deffner, Sebastian/C-5170-2008 OI Deffner, Sebastian/0000-0003-0504-6932 NR 9 TC 3 Z9 3 U1 0 U2 12 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 MAY PY 2015 VL 11 IS 5 BP 383 EP 384 DI 10.1038/nphys3318 PG 2 WC Physics, Multidisciplinary SC Physics GA CH1JA UT WOS:000353776400010 ER PT J AU Ekstrom, A Jansen, GR Wendt, KA Hagen, G Papenbrock, T Carlsson, BD Forssen, C Hjorth-Jensen, M Navratil, P Nazarewicz, W AF Ekstroem, A. Jansen, G. R. Wendt, K. A. Hagen, G. Papenbrock, T. Carlsson, B. D. Forssen, C. Hjorth-Jensen, M. Navratil, P. Nazarewicz, W. TI Accurate nuclear radii and binding energies from a chiral interaction SO PHYSICAL REVIEW C LA English DT Article ID EFFECTIVE-FIELD THEORY; HARTREE-FOCK CALCULATIONS; COUPLED-CLUSTER; SCATTERING DATA; LIGHT-NUCLEI; DATA SHEETS; FORCES; MATTER; SYSTEMS; SHIFT AB With the goal of developing predictive ab initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLOsat, yield accurate binding energies and radii of nuclei up to Ca-40, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective J(pi) = 3(-) states in O-16 and 40Ca are described accurately, while spectra for selected p- and sd-shell nuclei are in reasonable agreement with experiment. C1 [Ekstroem, A.; Jansen, G. R.; Wendt, K. A.; Hagen, G.; Papenbrock, T.; Forssen, C.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Ekstroem, A.; Jansen, G. R.; Wendt, K. A.; Hagen, G.; Papenbrock, T.; Forssen, C.; Nazarewicz, W.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Carlsson, B. D.; Forssen, C.] Chalmers, Dept Fundamental Phys, SE-41296 Gothenburg, Sweden. [Hjorth-Jensen, M.; Nazarewicz, W.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Hjorth-Jensen, M.; Nazarewicz, W.] Michigan State Univ, NSCL FRIB Lab, E Lansing, MI 48824 USA. [Hjorth-Jensen, M.] Univ Oslo, Dept Phys, N-0316 Oslo, Norway. [Navratil, P.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Nazarewicz, W.] Warsaw Univ, Fac Phys, PL-02093 Warsaw, Poland. RP Ekstrom, A (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RI Forssen, Christian/C-6093-2008; OI Forssen, Christian/0000-0003-3458-0480; Karlsson, Boris/0000-0003-0901-5797; Jansen, Gustav R./0000-0003-3558-0968; Papenbrock, Thomas/0000-0001-8733-2849 FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics [DEFG02-96ER40963, DE-SC0008499, DE-SC0008511]; Oak Ridge National Laboratory; National Science Foundation [1404159]; Swedish Foundation for International Cooperation in Research and Higher Education (STINT) [IG2012-5158]; European Research Council [ERC-StG-240603]; Research Council of Norway [ISP-Fysikk/216699]; NSERC [401945-2011]; National Research Council Canada; Office of Science of the Department of Energy [DE-AC05-00OR22725]; National Institute for Computational Sciences; Swedish National Infrastructure for Computing (SNIC); Notur project in Norway FX We thank K. Hebeler and E. Epelbaum for providing the matrix elements of the nonlocal three-body interaction. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics under Award Numbers DEFG02-96ER40963 (University of Tennessee), DE-SC0008499 and DE-SC0008511 (NUCLEI SciDAC collaboration), the Field Work Proposal ERKBP57 at Oak Ridge National Laboratory and the National Science Foundation with award number 1404159. It was also supported by the Swedish Foundation for International Cooperation in Research and Higher Education (STINT, IG2012-5158), by the European Research Council (ERC-StG-240603), by the Research Council of Norway under contract ISP-Fysikk/216699, and by NSERC Grant No. 401945-2011. TRIUMF receives funding via a contribution through the National Research Council Canada. Computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. This research used resources of the Oak Ridge Leadership Computing Facility located in the Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under Contract No. DE-AC05-00OR22725 and used computational resources of the National Center for Computational Sciences, the National Institute for Computational Sciences, the Swedish National Infrastructure for Computing (SNIC), and the Notur project in Norway. NR 112 TC 52 Z9 52 U1 2 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 EI 1089-490X J9 PHYS REV C JI Phys. Rev. C PD MAY 1 PY 2015 VL 91 IS 5 AR 051301 DI 10.1103/PhysRevC.91.051301 PG 7 WC Physics, Nuclear SC Physics GA CH1EK UT WOS:000353763700001 ER PT J AU Zurek, W AF Zurek, Wojciech TI Classical selection and quantum Darwinism Reply SO PHYSICS TODAY LA English DT Letter ID DECOHERENCE C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Zurek, W (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 5 TC 0 Z9 0 U1 1 U2 10 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 MAY PY 2015 VL 68 IS 5 BP 9 EP 10 DI 10.1063/PT.3.2761 PG 2 WC Physics, Multidisciplinary SC Physics GA CH3AA UT WOS:000353896600003 ER PT J AU Richter, B AF Richter, Burton TI Matthew Linzee Sands SO PHYSICS TODAY LA English DT Biographical-Item C1 SLAC, Stanford, CA 94025 USA. RP Richter, B (reprint author), SLAC, Stanford, CA 94025 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 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 MAY PY 2015 VL 68 IS 5 BP 65 EP 65 DI 10.1063/PT.3.2793 PG 1 WC Physics, Multidisciplinary SC Physics GA CH3AA UT WOS:000353896600021 ER PT J AU Tang, YL Zhu, YL Ma, XL Borisevich, AY Morozovska, AN Eliseev, EA Wang, WY Wang, YJ Xu, YB Zhang, ZD Pennycook, SJ AF Tang, Y. L. Zhu, Y. L. Ma, X. L. Borisevich, A. Y. Morozovska, A. N. Eliseev, E. A. Wang, W. Y. Wang, Y. J. Xu, Y. B. Zhang, Z. D. Pennycook, S. J. TI Observation of a periodic array of flux-closure quadrants in strained ferroelectric PbTiO3 films SO SCIENCE LA English DT Article ID SINGLE-CRYSTAL BATIO3; MAGNETIC SKYRMIONS; ELASTIC PROPERTIES; POLARIZATION; DOMAINS; ROTATION; NANODOTS AB Nanoscale ferroelectrics are expected to exhibit various exotic domain configurations, such as the full flux-closure pattern that is well known in ferromagnetic materials. Here we observe not only the atomic morphology of the flux-closure quadrant but also a periodic array of flux closures in ferroelectric PbTiO3 films, mediated by tensile strain on a GdScO3 substrate. Using aberration-corrected scanning transmission electron microscopy, we directly visualize an alternating array of clockwise and counterclockwise flux closures, whose periodicity depends on the PbTiO3 film thickness. In the vicinity of the core, the strain is sufficient to rupture the lattice, with strain gradients up to 10(9) per meter. Engineering strain at the nanoscale may facilitate the development of nanoscale ferroelectric devices. C1 [Tang, Y. L.; Zhu, Y. L.; Ma, X. L.; Wang, W. Y.; Wang, Y. J.; Xu, Y. B.; Zhang, Z. D.] Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci SYNL, Shenyang 110016, Peoples R China. [Borisevich, A. Y.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Morozovska, A. N.] Natl Acad Sci Ukraine, Inst Phys, UA-03028 Kiev, Ukraine. [Eliseev, E. A.] Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03142 Kiev, Ukraine. [Pennycook, S. J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Pennycook, S. J.] Natl Univ Singapore, Dept Mat Sci & Engn, Singapore 117576, Singapore. RP Ma, XL (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci SYNL, Wenhua Rd 72, Shenyang 110016, Peoples R China. EM xlma@imr.ac.cn RI Borisevich, Albina/B-1624-2009; Xu, Yao-bin/N-5641-2016 OI Borisevich, Albina/0000-0002-3953-8460; Xu, Yao-bin/0000-0002-9945-3514 FU National Natural Science Foundation of China [51231007, 51171190]; National Basic Research Program of China [2014CB921002, 2009CB623705]; National Academy of Science of the Ukraine; U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division FX This work is supported by the National Natural Science Foundation of China (grants 51231007 and 51171190) and the National Basic Research Program of China (grants 2014CB921002 and 2009CB623705). A.N.M. and E.A.E. acknowledge financial support from the National Academy of Science of the Ukraine; A.Y.B. and S.J.P. thank the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division for financial support. The authors at SYNL are grateful to B. Wu and L. X. Yang of this laboratory for their technical support on the Titan platform of the aberration-corrected scanning transmission electron microscope. Author contributions: Y.L.Z. and X.L.M. conceived the project of interfacial characterization in oxides by using aberration-corrected STEM; Y.L.T. performed the thin-film growth and TEM observations; W.Y.W. provided some of the TEM images used in the supplementary materials; Y.J.W. carried out digital analysis of the STEM data; Y.B.X. and Z.D.Z. contributed to the thin-film growth; A.N.M. and E.A.E. participated in the ferroelectric theoretical analysis based on the LGD framework; and A.Y.B. and S.J.P. contributed to STEM-HAADF imaging data analysis, particularly to the calculation of the strain-gradient components near the vertex core. All authors participated in discussion and interpretation of the data. Correspondence and requests for materials should be addressed to X.L.M. NR 40 TC 35 Z9 35 U1 42 U2 260 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD MAY 1 PY 2015 VL 348 IS 6234 BP 547 EP 551 DI 10.1126/science.1259869 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH1JR UT WOS:000353778100035 PM 25883317 ER PT J AU Arndt, EM Moore, W Lee, WK Ortiz, C AF Arndt, Eric M. Moore, Wendy Lee, Wah-Keat Ortiz, Christine TI Mechanistic origins of bombardier beetle (Brachinini) explosion-induced defensive spray pulsation SO SCIENCE LA English DT Article ID INSECT CUTICLE; BIOCHEMISTRY; ARTHROPODS AB Bombardier beetles (Brachinini) use a rapid series of discrete explosions inside their pygidial gland reaction chambers to produce a hot, pulsed, quinone-based defensive spray. The mechanism of brachinines' spray pulsation was explored using anatomical studies and direct observation of explosions inside living beetles using synchrotron x-ray imaging. Quantification of the dynamics of vapor inside the reaction chamber indicates that spray pulsation is controlled by specialized, contiguous cuticular structures located at the junction between the reservoir (reactant) and reaction chambers. Kinematics models suggest passive mediation of spray pulsation by mechanical feedback from the explosion, causing displacement of these structures. C1 [Arndt, Eric M.; Ortiz, Christine] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Moore, Wendy] Univ Arizona, Dept Entomol, Tucson, AZ 85721 USA. [Lee, Wah-Keat] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RP Ortiz, C (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. EM cortiz@mit.edu FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357, DE-SC0012704]; U.S. Army Research Laboratory; U.S. Army Research Office through the MIT Institute of Soldier Nanotechnologies [W911NF-13-D-0001]; National Science Foundation through the MIT Center for Materials Science and Engineering [DMR-08-19762]; U.S. Department of Defense, Office of the Director, Defense Research and Engineering, through the National Security Science and Engineering Faculty Fellowship [N00244-09-1-0064]; National Science Foundation [DEB-0908187] FX Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract DE-AC02-06CH11357. This work was supported in part by the U.S. Army Research Laboratory and the U.S. Army Research Office through the MIT Institute of Soldier Nanotechnologies under contract W911NF-13-D-0001 and in part by the National Science Foundation through the MIT Center for Materials Science and Engineering under contract DMR-08-19762. This research was funded in part by the U.S. Department of Defense, Office of the Director, Defense Research and Engineering, through the National Security Science and Engineering Faculty Fellowship awarded to C.O. under contract N00244-09-1-0064; in part by the National Science Foundation through funding awarded to W.M. under contract DEB-0908187; and in part by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract DE-SC0012704. Experiment data are available for download from DSpace@MIT (https://dspace.mit.edu); please cite this collection using the handle hdl.handle.net/1721.1/96123. NR 20 TC 6 Z9 6 U1 15 U2 64 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD MAY 1 PY 2015 VL 348 IS 6234 BP 563 EP 567 DI 10.1126/science.1261166 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH1JR UT WOS:000353778100039 PM 25931557 ER PT J AU Taylor, DW Zhu, YF Staals, RHJ Kornfeld, JE Shinkai, A van der Oost, J Nogales, E Doudna, JA AF Taylor, David W. Zhu, Yifan Staals, Raymond H. J. Kornfeld, Jack E. Shinkai, Akeo van der Oost, John Nogales, Eva Doudna, Jennifer A. TI Structures of the CRISPR-Cmr complex reveal mode of RNA target positioning SO SCIENCE LA English DT Article ID GUIDED SURVEILLANCE COMPLEX; CRYSTAL-STRUCTURE; DNA RECOGNITION; CLEAVAGE; ENDONUCLEASE; PROKARYOTES; SYSTEM; CAS9 AB Adaptive immunity in bacteria involves RNA-guided surveillance complexes that use CRISPR (clustered regularly interspaced short palindromic repeats)-associated (Cas) proteins together with CRISPR RNAs (crRNAs) to target invasive nucleic acids for degradation. Whereas type I and type II CRISPR-Cas surveillance complexes target double-stranded DNA, type III complexes target single-stranded RNA. Near-atomic resolution cryo-electron microscopy reconstructions of native type III Cmr (CRISPR RAMP module) complexes in the absence and presence of target RNA reveal a helical protein arrangement that positions the crRNA for substrate binding. Thumblike b hairpins intercalate between segments of duplexed crRNA: target RNA to facilitate cleavage of the target at 6-nucleotide intervals. The Cmr complex is architecturally similar to the type I CRISPR-Cascade complex, suggesting divergent evolution of these immune systems from a common ancestor. C1 [Taylor, David W.; Kornfeld, Jack E.; Nogales, Eva; Doudna, Jennifer A.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Taylor, David W.; Nogales, Eva; Doudna, Jennifer A.] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA. [Zhu, Yifan; Staals, Raymond H. J.; van der Oost, John] Wageningen Univ, Lab Microbiol, Dept Agrotechnol & Food Sci, NL-6703 HB Wageningen, Netherlands. [Shinkai, Akeo] RIKEN SPring 8 Ctr, Mikazuki, Hyogo 6795148, Japan. [Shinkai, Akeo] RIKEN Struct Biol, Yokohama, Kanagawa 2300045, Japan. [Nogales, Eva; Doudna, Jennifer A.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Nogales, Eva] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Life Sci Div, Berkeley, CA 94720 USA. [Doudna, Jennifer A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Doudna, Jennifer A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Doudna, JA (reprint author), Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. EM enogales@lbl.gov; doudna@berkeley.edu RI Shinkai, Akeo/E-8354-2013; OI Shinkai, Akeo/0000-0002-9867-0832; Taylor, David/0000-0002-6198-1194 FU Damon Runyon Cancer Research Foundation [DRG-2218-15]; University of Otago's Division of Health Sciences Career Development postdoctoral fellowship; Netherlands Organisation for Scientific Research (NWO) [024.002.002, 854.10.003]; Japan Society for the Promotion of Science [25440013] FX The structures of intact apo-Cmr, smaller apo-Cmr, and target-bound Cmr have been deposited into the EMDataBank with accession codes EMD-2898, EMD-2899, and EMD-2900, respectively. We thank R. Louder, S. Howes, E. Kellogg, R. Zhang, P. Grob, Y. He, T. Houweling, Z. Yu, and M. J. de la Cruz for expert electron microscopy assistance. D.W.T is a Damon Runyon Fellow supported by the Damon Runyon Cancer Research Foundation (DRG-2218-15). R.H.J.S. was supported by the University of Otago's Division of Health Sciences Career Development postdoctoral fellowship. Y. Z. and J.v.d.O. received financial support from the Netherlands Organisation for Scientific Research (NWO), via a Gravitation grant to the Soehngen Institute for Anaerobic Microbiology (024.002.002) and an ALW-TOP project (854.10.003), respectively. This work was supported in part by Japan Society for the Promotion of Science KAKENHI grant 25440013 (to A. S.). J. A. D and E.N. are Howard Hughes Medical Institute Investigators. The T. thermophilus Cmr complex and T. thermophilus strain-producing Cmr6-His protein are available from A. S. under a material transfer agreement with RIKEN. NR 22 TC 29 Z9 30 U1 8 U2 49 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD MAY 1 PY 2015 VL 348 IS 6234 BP 581 EP 585 DI 10.1126/science.aaa4535 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA CH1JR UT WOS:000353778100044 PM 25837515 ER PT J AU Leng, GY Tang, QH Huang, MY Hong, Y Ruby, LL AF Leng GuoYong Tang QiuHong Huang MaoYi Hong Yang Ruby, Leung L. TI Projected changes in mean and interannual variability of surface water over continental China SO SCIENCE CHINA-EARTH SCIENCES LA English DT Article DE climate change; surface water; interannual variability; China ID REGIONAL CLIMATE-CHANGE; RIVER-BASIN; PRECIPITATION EXTREMES; EMISSIONS SCENARIOS; HYDROLOGICAL MODELS; GLOBAL CLIMATE; WARMING WORLD; IMPACTS; RESOURCES; TRENDS AB Five General Circulation Model (GCM) climate projections under the RCP8.5 emission scenario were used to drive the Variable Infiltration Capacity (VIC) hydrologic model to investigate the impacts of climate change on hydrologic cycle over continental China in the 21st century. The bias-corrected climatic variables were generated for the Fifth Assessment Report of the Intergovernmental Panel on Climate Change (IPCC AR5) by the Inter-Sectoral Impact Model Intercomparison Project (ISI-MIP). Results showed much larger fractional changes of annual mean Evapotranspiration (ET) per unit warming than the corresponding fractional changes of Precipitation (P) per unit warming across the country, especially for South China, which led to a notable decrease of surface water variability (P-E). Specifically, negative trends for annual mean runoff up to -0.33%/year and soil moisture trends varying between -0.02% to -0.13%/year were found for most river basins across China. Coincidentally, interannual variability for both runoff and soil moisture exhibited significant positive trends for almost all river basins across China, implying an increase in extremes relative to the mean conditions. Noticeably, the largest positive trends for runoff variability and soil moisture variability, which were up to 0.41%/year and 0.90%/year, both occurred in Southwest China. In addition to the regional contrast, intra-seasonal variation was also large for the runoff mean and runoff variability changes, but small for the soil moisture mean and variability changes. Our results suggest that future climate change could further exacerbate existing water-related risks (e.g., floods and droughts) across China as indicated by the marked decrease of surface water amounts combined with a steady increase of interannual variability throughout the 21st century. This study highlights the regional contrast and intra-seasonal variations for the projected hydrologic changes and could provide a multi-scale guidance for assessing effective adaptation strategies for China on a river basin, regional, or as a whole. C1 [Leng GuoYong; Tang QiuHong] Chinese Acad Sci, Inst Geog Sci & Nat Resources Res, Beijing 100101, Peoples R China. [Huang MaoYi; Ruby, Leung L.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. [Hong Yang] Univ Oklahoma, Sch Civil Engn & Environm Sci, Norman, OK 73019 USA. [Leng GuoYong] Univ Chinese Acad Sci, Beijing 100049, Peoples R China. RP Leng, GY (reprint author), Chinese Acad Sci, Inst Geog Sci & Nat Resources Res, Beijing 100101, Peoples R China. EM lenggy.11b@igsnrr.ac.cn RI Hong, Yang/D-5132-2009; OI Hong, Yang/0000-0001-8720-242X; Tang, Qiuhong/0000-0002-0886-6699 FU National Natural Science Foundation of China [41171031]; National Basic Research Program of China [2012CB955403]; Chinese Academy of Sciences; German Federal Ministry of Education and Research (BMBF) [01LS1201A]; Office of Science of the U.S. Department of Energy through the Regional and Global Climate Modeling Program; US DOE by Battelle Memorial Institute [DE-AC05-76RL01830] FX The careful reviews and constructive comments/suggestions from two anonymous reviewers are gratefully acknowledged. This work was supported by the National Natural Science Foundation of China (Grant No. 41171031), National Basic Research Program of China (Grant No. 2012CB955403), and Hundred Talents Program of the Chinese Academy of Sciences. This work has been conducted under the framework of ISI-MIP. The ISIMIP Fast Track Project was funded by the German Federal Ministry of Education and Research (BMBF) (Grant No. 01LS1201A). Responsibility for the content of this publication lies with the authors. M Huang and LR Leung are supported by Office of Science of the U.S. Department of Energy through the Regional and Global Climate Modeling Program. PNNL is operated for the US DOE by Battelle Memorial Institute (Grant No. DE-AC05-76RL01830). NR 60 TC 7 Z9 7 U1 5 U2 16 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 1674-7313 EI 1869-1897 J9 SCI CHINA EARTH SCI JI Sci. China-Earth Sci. PD MAY PY 2015 VL 58 IS 5 BP 739 EP 754 DI 10.1007/s11430-014-4987-0 PG 16 WC Geosciences, Multidisciplinary SC Geology GA CH2VI UT WOS:000353882500008 ER PT J AU Moridis, GJ Spycher, N AF Moridis, George J. Spycher, Nicolas TI FOREWORD Special Issue on the 2012 TOUGH Symposium SO TRANSPORT IN POROUS MEDIA LA English DT Editorial Material C1 [Moridis, George J.; Spycher, Nicolas] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Moridis, GJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM gjmoridis@lbl.gov RI Spycher, Nicolas/E-6899-2010 NR 0 TC 0 Z9 0 U1 1 U2 4 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 MAY PY 2015 VL 108 IS 1 SI SI BP 1 EP 2 DI 10.1007/s11242-015-0491-z PG 2 WC Engineering, Chemical SC Engineering GA CH2VP UT WOS:000353883200001 ER PT J AU Karasaki, K Doughty, C Onishi, CT Goto, J AF Karasaki, Kenzi Doughty, Christine Onishi, Celia T. Goto, Junichi TI Development of Geohydrologic Model of the Wildcat Fault Zone SO TRANSPORT IN POROUS MEDIA LA English DT Article; Proceedings Paper CT TOUGH Symposium CY SEP 17-19, 2012 CL Berkeley, CA DE Fault zone; Anisotropy; Fractured rock; Characterization; Cross-hole test; Geophysical survey; Borehole logging; Pressure profile; Temperature profile; Long-term monitoring; Recharge Rate; Model uncertainty; Scale-up AB We have conducted field investigations of the Wildcat fault in Strawberry Canyon in the East Bay Hills of Berkeley, California, including a literature survey, aerial-photographic-based geomorphological study, geologic mapping, geophysical surveys, trenching, and borehole drilling and hydraulic testing. A geologic model was constructed, which became the basis of the hydrologic model. We outline the effort of constructing the geohydrologic model of the Strawberry Canyon area. We also created an East Canyon sub-model, which is a part of the Strawberry Canyon area. These models were constructed using Petrasim commercial software, which is a pre- and post- processor for TOUGH2, a non-isothermal multiphase flow and transport simulator. One of our goals is to understand the role of the Wildcat fault in controlling the natural-state groundwater flow. Another goal is that with limited data in numbers and areal extent, we evaluate the viability of modeling a relatively complex geologic area in hopes of to building a model that is valid for a scale larger than the observation. We performed both manual and automated inversion analyses and produced reasonable matches between the observed head data and model predictions. By varying the structure of the Wildcat fault, the base-case representation, which includes a high permeability damage zone and a low permeability fault core, best matches the observed head data. Using the sub-model, we conducted two-phase non-isothermal simulations utilizing the pressure and temperature data from the boreholes. We also used the information obtained from pump tests including permeability anisotropy of the fault plane. After parameter searches, we were able to match the head and temperature profiles along boreholes relatively well. We then used the best matching models to predict the observed rate of head decline during a dry period and found that anisotropic fault zone with 5 % porosity predicts the rate of decline reasonably well. There is a potential that the rate of decline may be useful to estimate the parameters downstream where there are no boreholes for observation/testing. C1 [Karasaki, Kenzi; Doughty, Christine] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Onishi, Celia T.] US Geol Survey, Menlo Pk, CA 94025 USA. [Goto, Junichi] Nucl Waste Management Org Japan, Tokyo, Japan. RP Karasaki, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM kkarasaki@lbl.gov; CADoughty@lbl.gov; ctonishi@usgs.gov; jgoto@numo.or.jp RI Doughty, Christine/G-2389-2015 FU Nuclear Waste Management Organization of Japan; [DE-AC02-05CH11231] FX This work was supported by Nuclear Waste Management Organization of Japan and performed under Contract No. DE-AC02-05CH11231. The authors would like to thank Dr. David Buesch of USGS, Menlo Park for his extensive review and extremely helpful suggestions. NR 23 TC 0 Z9 0 U1 3 U2 11 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 MAY PY 2015 VL 108 IS 1 SI SI BP 3 EP 22 DI 10.1007/s11242-014-0348-x PG 20 WC Engineering, Chemical SC Engineering GA CH2VP UT WOS:000353883200002 ER PT J AU Aradottir, ESP Gunnarsson, I Sigfusson, B Gunnarsson, G Juliusson, BM Gunnlaugsson, E Sigurdardottir, H Arnarson, MT Sonnenthal, E AF Aradottir, Edda S. P. Gunnarsson, Ingvi Sigfusson, Bergur Gunnarsson, Gunnar Juliusson, Bjarni M. Gunnlaugsson, Einar Sigurdardottir, Holmfridur Arnarson, Magnus Th. Sonnenthal, Eric TI Toward Cleaner Geothermal Energy Utilization: Capturing and Sequestering CO2 and H2S Emissions from Geothermal Power Plants SO TRANSPORT IN POROUS MEDIA LA English DT Article; Proceedings Paper CT TOUGH Symposium CY SEP 17-19, 2012 CL Berkeley, CA DE Reactive transport modeling; CO2 sequestration; H2S sequestration; CO2-H2S-water-basalt interaction ID BASALTIC GLASS DISSOLUTION; EASTERN ICELAND; CARBON-DIOXIDE; IRON SULFIDES; PILOT PROJECT; SW-ICELAND; DEGREES-C; SEQUESTRATION; RATES; PRECIPITATION AB Field scale reactive transport models of CO and HS mineral sequestration in basalts were developed with a focus on Reykjavik Energy's ongoing CarbFix and SulFix sour gas re-injection tests at Hellisheidi geothermal power plant, SW-Iceland. Field data, such as drill cuttings and a calcite cap-rock overlying the high-temperature geothermal reservoir, suggest that mineral CO and HS sequestration already plays an important role within Hellisheidi geothermal system. The data indicate CO sequestration to be most intensive from 550-800-m depth below surface, while HS sequestration is most intensive below 800-m depth. Injecting and precipitating CO and HS into nearby formations with the objective of imitating and accelerating natural sequestration processes should therefore be considered as an environmentally benign process. Reactive transport simulations predict rapid and efficient mineralization of both CO and HS into thermodynamically stable minerals, with calcite, magnesite, and pyrrhotite being the favored carbonate and sulfide minerals to form. At intermediate depths and low temperatures (25-90 C), calcite is the main CO sequestering carbonate predicted to form, while magnesite is the only carbonate predicted to form at high temperatures (250 C). Despite only being indicative, it is concluded from this study that the capture and sequestration of CO and HS from geothermal power plants are a viable option for reducing their gas emissions and that basalts may comprise ideal geological CO and HS storage formations. C1 [Aradottir, Edda S. P.; Gunnarsson, Ingvi; Gunnarsson, Gunnar; Juliusson, Bjarni M.; Gunnlaugsson, Einar; Sigurdardottir, Holmfridur] Reykjavik Energy, Reykjavik 110, Iceland. [Sigfusson, Bergur] European Commiss, Inst Energy & Transport, NL-1755 LE Petten, Netherlands. [Arnarson, Magnus Th.] Mannvit Engn, Reykjavik 108, Iceland. [Sonnenthal, Eric] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Aradottir, ESP (reprint author), Reykjavik Energy, Baejarhalsi 1, Reykjavik 110, Iceland. EM edda.sif.aradottir@or.is RI Sonnenthal, Eric/A-4336-2009 FU Reykjavik Energy; 7th Framework Programme of the EC [283148]; GEORG Geothermal Research Group [09-02-001] FX We would like to thank Einar Orn Thrastarson and Trausti Kristinsson for their never-ending contribution to CarbFix and SulFix. We also thank Karsten Pruess, Nic Spycher, and Stefan Finsterle at Lawrence Berkeley National Laboratory, Andri Arnaldsson at Vatnaskil Consulting Engineers, Andri Stefansson, Helgi A. Alfredsson, Sigurdur R. Gislason, and Snorri Gudbrandsson at the Institute of Earth Sciences at the University of Iceland, Martin Stute and Juerg M. Matter at Columbia University, Eric H. Oelkers at the University in Toulouse, and Gudni Axelsson, Gunnlaugur Einarsson and Thrainn Fridriksson at Iceland GeoSurvey. This work was funded by Reykjavik Energy, the 7th Framework Programme of the EC (project no. 283148) and GEORG Geothermal Research Group (project no. 09-02-001). NR 54 TC 1 Z9 1 U1 6 U2 28 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 MAY PY 2015 VL 108 IS 1 SI SI BP 61 EP 84 DI 10.1007/s11242-014-0316-5 PG 24 WC Engineering, Chemical SC Engineering GA CH2VP UT WOS:000353883200005 ER PT J AU Magliocco, MJ Glaser, SD Kneafsey, TJ AF Magliocco, Mario J. Glaser, Steven D. Kneafsey, Timothy J. TI Laboratory and Numerical Studies of Heat Extraction from Hot Porous Media by Means of Supercritical CO2 SO TRANSPORT IN POROUS MEDIA LA English DT Article; Proceedings Paper CT TOUGH Symposium CY SEP 17-19, 2012 CL Berkeley, CA DE Carbon dioxide; Heat transfer; Laboratory experiment; Numerical simulation; Enhanced (engineered) geothermal systems ID ENHANCED GEOTHERMAL SYSTEMS; CARBON; SEQUESTRATION; ENERGY; FLUID AB The use of as a heat transfer fluid has been proposed as an alternative to water in enhanced geothermal systems (EGS) and in -plume geothermal systems (CPG). Numerical simulations have shown that under expected EGS operating conditions, would achieve more efficient heat extraction performance compared to water, especially at sites with low geothermal temperatures and low subsurface heat flow rates. With increased interest in carbon capture and sequestration (CCS), the possibility of combining geothermal energy production with carbon sequestration is actively being explored. Simulations have shown that -based geothermal energy production could substantially offset the cost of CCS. Since numerical models are critical for the planning and operation of geothermal systems that employ as the working fluid, it is important to validate the results of the current numerical tools against real- world experimental data. In a set of laboratory experiments, we have investigated heat extraction by flowing dry supercritical through a heated porous medium in a laboratory pressure vessel and have compared experimental results with a numerical model using TOUGH2 with the ECO2N module. In addition, experiments were performed using (1) and (2) water as the working fluids under similar operating conditions in order to compare the heat transfer behavior and the overall heat extraction rates. Our laboratory apparatus is capable of operating at temperatures up to 200 , pressures up to 34.5 MPa, and flow rates up to 400 ml/min. The experimental system was designed such that measurements and controls at the boundaries could be readily modeled using TOUGH2. We have made estimates of the density and the effective thermal conductivity of our saturated porous media, and have found that both properties change significantly during the course of experiments. The large changes in density, due to decreasing system temperatures, can result in fluid accumulation in the system that may have significant impacts on geothermal reservoir management. The large changes in thermal conductivity as a function of temperature are of concern because the TOUGH2 code does not update the thermal conductivity of the system during the course of a simulation. Our data can be used by geologic reservoir modelers to ensure that their models accurately capture the heat extraction behavior of to aid in the further investigations of EGS, CPG, and CCS. C1 [Magliocco, Mario J.; Glaser, Steven D.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Kneafsey, Timothy J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Magliocco, MJ (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM mag@berkeley.edu RI Kneafsey, Timothy/H-7412-2014; Magliocco, Mario/H-6150-2016 OI Kneafsey, Timothy/0000-0002-3926-8587; NR 15 TC 0 Z9 0 U1 8 U2 29 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 MAY PY 2015 VL 108 IS 1 SI SI BP 85 EP 104 DI 10.1007/s11242-015-0474-0 PG 20 WC Engineering, Chemical SC Engineering GA CH2VP UT WOS:000353883200006 ER PT J AU Rinaldi, AP Rutqvist, J Sonnenthal, EL Cladouhos, TT AF Rinaldi, A. P. Rutqvist, J. Sonnenthal, E. L. Cladouhos, T. T. TI Coupled THM Modeling of Hydroshearing Stimulation in Tight Fractured Volcanic Rock SO TRANSPORT IN POROUS MEDIA LA English DT Article; Proceedings Paper CT TOUGH Symposium CY SEP 17-19, 2012 CL Berkeley, CA DE Hydroshearing; Thermo-hydro-mechanical coupling; Enhanced Geothermal System; EGS stimulation ID ENGINEERED GEOTHERMAL SYSTEMS; CO2 INJECTION; FLUID-FLOW; DEFORMATION; PERMEABILITY; MIGRATION; STRESS AB In this study, we use the TOUGH-FLAC simulator for coupled thermo-hydro-mechanical modeling of well stimulation for an Enhanced Geothermal System (EGS) project. We analyze the potential for injection-induced fracturing and reactivation of natural fractures in a porous medium with associated permeability enhancement. Our analysis aims to understand how far the EGS reservoir may grow and how the hydroshearing process relates to system conditions. We analyze the enhanced reservoir, or hydrosheared zone, by studying the extent of the failure zone using an elasto-plastic model, and accounting for permeability changes as a function of the induced stresses. For both fully saturated and unsaturated medium cases, the results demonstrate how EGS reservoir growth depends on the initial fluid phase, and how the reservoir extent changes as a function of two critical parameters: (1) the coefficient of friction, and (2) the permeability-enhancement factor. Moreover, while well stimulation is driven by pressure exceeding the hydroshearing threshold, the modeling also demonstrates how injection-induced cooling further extends the effects of stimulation. C1 [Rinaldi, A. P.; Rutqvist, J.; Sonnenthal, E. L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Cladouhos, T. T.] AltaRock Energy, Seattle, WA 98115 USA. RP Rinaldi, AP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM aprinaldi@lbl.gov; jrutqvist@lbl.gov; elsonnenthal@lbl.gov; tcladouhos@altarockenergy.com RI Rinaldi, Antonio Pio/N-3284-2013; Sonnenthal, Eric/A-4336-2009; Rutqvist, Jonny/F-4957-2015 OI Rinaldi, Antonio Pio/0000-0001-7052-8618; Rutqvist, Jonny/0000-0002-7949-9785 FU Department of Energy [DE-EE0002777]; American Recovery and Reinvestment Act (ARRA), through Office of Technology Development, Geothermal Technologies Program, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Department of Energy under Award Number DE-EE0002777 and by the American Recovery and Reinvestment Act (ARRA), through the Assistant Secretary for Energy Efficiency and Renewable Energy (EERE), Office of Technology Development, Geothermal Technologies Program, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Technical review comments by Matt Uddenberg of the AltaRock company, and Patrick F. Dobson and Pierre Jeanne at the Berkeley Lab, as well as editorial review by Dan Hawkes at the Berkeley Lab are all greatly appreciated. We also thank two anonymous reviewers whose comments greatly improved the paper. NR 39 TC 5 Z9 6 U1 5 U2 19 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 MAY PY 2015 VL 108 IS 1 SI SI BP 131 EP 150 DI 10.1007/s11242-014-0296-5 PG 20 WC Engineering, Chemical SC Engineering GA CH2VP UT WOS:000353883200008 ER PT J AU Reagan, MT Moridis, GJ Johnson, JN Pan, LH Freeman, CM Boyle, KL Keen, ND Husebo, J AF Reagan, Matthew T. Moridis, George J. Johnson, Jeffery N. Pan, Lehua Freeman, Craig M. Boyle, Katie L. Keen, Noel D. Husebo, Jarle TI Field-Scale Simulation of Production from Oceanic Gas Hydrate Deposits SO TRANSPORT IN POROUS MEDIA LA English DT Article; Proceedings Paper CT TOUGH Symposium CY SEP 17-19, 2012 CL Berkeley, CA DE Gas hydrates; Methane hydrates; Oceanic hydrates; Gas production AB The quantity of hydrocarbon gases trapped in natural hydrate accumulations is enormous, leading to a significant interest in the evaluation of their potential as an energy source. It has been shown that large volumes of gas can be readily produced at high rates for long times from some types of methane hydrate accumulations by means of depressurization-induced dissociation, and using conventional horizontal or vertical well configurations. However, these resources are currently assessed using simplified or reduced-scale 3D or 2D production simulations. In this study, we use the massively parallel TOUGH+HYDRATE code (pT+H) to assess the production potential of a large, deep ocean hydrate reservoir and develop strategies for effective production. The simulations model a full 3D system of over extent, examining the productivity of vertical and horizontal wells, single or multiple wells, and explore variations in reservoir properties. Systems of up to 2.5 M gridblocks, running on thousands of supercomputing nodes, are required to simulate such large systems at the highest level of detail. The simulations reveal the challenges inherent in producing from deep, relatively cold systems with extensive water-bearing channels and connectivity to large aquifers, mainly difficulty of achieving depressurization and the problem of enormous water production. Also highlighted are new frontiers in large-scale reservoir simulation of coupled flow, transport, thermodynamics, and phase behavior, including the construction of large meshes and the computational scaling of larger systems. C1 [Reagan, Matthew T.; Moridis, George J.; Johnson, Jeffery N.; Pan, Lehua; Freeman, Craig M.; Boyle, Katie L.; Keen, Noel D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Husebo, Jarle] Statoil ASA, Res Ctr, N-5020 Bergen, Norway. RP Reagan, MT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mtreagan@lbl.gov RI Pan, Lehua/G-2439-2015; Reagan, Matthew/D-1129-2015 OI Reagan, Matthew/0000-0001-6225-4928 FU Statoil ASA; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was funded by Statoil ASA. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 19 TC 10 Z9 10 U1 4 U2 34 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 MAY PY 2015 VL 108 IS 1 SI SI BP 151 EP 169 DI 10.1007/s11242-014-0330-7 PG 19 WC Engineering, Chemical SC Engineering GA CH2VP UT WOS:000353883200009 ER PT J AU Mukhopadhyay, S Doughty, C Bacon, D Li, J Wei, LL Yamamoto, H Gasda, S Hosseini, SA Nicot, JP Birkholzer, JT AF Mukhopadhyay, Sumit Doughty, Christine Bacon, Diana Li, Jun Wei, Lingli Yamamoto, Hajime Gasda, Sarah Hosseini, Seyyed A. Nicot, Jean-Philippe Birkholzer, Jens T. TI The Sim-SEQ Project: Comparison of Selected Flow Models for the S-3 Site SO TRANSPORT IN POROUS MEDIA LA English DT Article; Proceedings Paper CT TOUGH Symposium CY SEP 17-19, 2012 CL Berkeley, CA DE Carbon sequestration; Geologic carbon storage; Model comparison; Sim-SEQ; Model uncertainty ID CARBON-DIOXIDE; CO2 STORAGE; INJECTION; SIMULATION; CRANFIELD; RESERVOIR; SEQUESTRATION; MISSISSIPPI; UNCERTAINTY; PRESSURES AB Sim-SEQ is an international initiative on model comparison for geologic carbon sequestration, with an objective to understand and, if possible, quantify model uncertainties. Model comparison efforts in Sim-SEQ are at present focusing on one specific field test site, hereafter referred to as the Sim-SEQ Study site (or S-3 site). Within Sim-SEQ, different modeling teams are developing conceptual models of injection at the S-3 site. In this paper, we select five flow models of the S-3 site and provide a qualitative comparison of their attributes and predictions. These models are based on five different simulators or modeling approaches: TOUGH2/EOS7C, STOMP-CO2e, MoReS, TOUGH2-MP/ECO2N, and VESA. In addition to model-to-model comparison, we perform a limited model-to-data comparison, and illustrate how model choices impact model predictions. We conclude the paper by making recommendations for model refinement that are likely to result in less uncertainty in model predictions. C1 [Mukhopadhyay, Sumit; Doughty, Christine; Birkholzer, Jens T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Bacon, Diana] Pacific NW Natl Lab, Richland, WA 99352 USA. [Li, Jun] Chinese Acad Sci, Inst Rock & Soil Mech, State Key Lab Geomech & Geotech Engn, Wuhan 430071, Peoples R China. [Wei, Lingli] Shell China Innovat & R&D Ctr, Beijing 100004, Peoples R China. [Yamamoto, Hajime] Taisei Corp, Totsuka Ku, Yokohama, Kanagawa 2450051, Japan. [Gasda, Sarah] Uni Res, Ctr Integrated Petr Res, N-5020 Bergen, Norway. [Hosseini, Seyyed A.; Nicot, Jean-Philippe] Univ Texas Austin, Bur Econ Geol, Austin, TX 78713 USA. RP Mukhopadhyay, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM smukhopadhyay@lbl.gov RI Birkholzer, Jens/C-6783-2011; Doughty, Christine/G-2389-2015; Hosseini, Seyyed Abolfazl/C-5289-2011; OI Birkholzer, Jens/0000-0002-7989-1912; Bacon, Diana/0000-0001-9122-5333 FU U.S. Department of Energy [DE-AC02-05CH11231]; Department of Energy; MatMoRA project - CLIMIT program of the Research Council of Norway [215641]; Statoil FX The authors thank Curt Oldenburg (LBNL) and Dan Hawkes (LBNL) for their constructive reviews of the draft manuscript. LBNL's (Berkeley Lab.) efforts in coordinating Sim-SEQ are supported through funds provided by the U.S. Department of Energy and managed by the National Energy Technology Laboratory. Funds were provided to Berkeley Lab. through the U.S. Department of Energy Contract No. DE-AC02-05CH11231. BEG's efforts, headed by Susan Hovorka, were partly supported by funds provided by the Department of Energy and managed by the National Energy Technology Laboratory through the Southeast Regional Carbon Sequestration Partnership (SECARB) (managed by the Southern State Energy Board). URN's modeling effort is supported by the MatMoRA project under Contract No. 215641, funded by the CLIMIT program of the Research Council of Norway and Statoil. 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 views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the United States Department of Energy or the Berkeley Lab. NR 32 TC 5 Z9 5 U1 1 U2 8 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 MAY PY 2015 VL 108 IS 1 SI SI BP 207 EP 231 DI 10.1007/s11242-014-0361-0 PG 25 WC Engineering, Chemical SC Engineering GA CH2VP UT WOS:000353883200012 ER PT J AU Chandross, M AF Chandross, M. TI Competitive Wetting in Active Brazes SO WELDING JOURNAL LA English DT Article DE Active Brazing; Wetting; Spreading; Computer Simulations; Metals and Alloys; Molecular Dynamics ID MOLECULAR-DYNAMICS AB The wetting and spreading of molten filler materials (pure Al, pure Ag, and AgAl alloys) on a Kovar (TM) (001) substrate was studied with molecular dynamics simulations. A suite of different simulations was used to understand the effects on spreading rates due to alloying as well as reactions with the substrate. The important conclusion is that the presence of Al in the alloy enhances the spreading of Ag, while the Ag inhibits the spreading of Al. C1 Sandia Natl Labs, Computat Mat & Data Sci, Albuquerque, NM 87185 USA. RP Chandross, M (reprint author), Sandia Natl Labs, Computat Mat & Data Sci, POB 5800, Albuquerque, NM 87185 USA. EM mechand@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 Corp., a wholly owned subsidiary of Lockheed Martin Corp., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 17 TC 0 Z9 0 U1 1 U2 6 PU AMER WELDING SOC PI MIAMI PA 550 N W LEJEUNE RD, MIAMI, FL 33126 USA SN 0043-2296 J9 WELD J JI Weld. J. PD MAY PY 2015 VL 94 IS 5 BP 169 EP 175 PG 7 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA CH2QM UT WOS:000353869700012 ER PT J AU Caro, A Schwen, D Hetherly, J Martinez, E AF Caro, A. Schwen, D. Hetherly, J. Martinez, E. TI The capillarity equation at the nanoscale: Gas bubbles in metals SO ACTA MATERIALIA LA English DT Article DE Capillarity equation; Helium bubbles Fe; Nanoscale effects; Tolman's length ID MOLECULAR-DYNAMICS; SURFACE-TENSION; FIELD; DROPLETS; STRESS AB We investigate the modifications to the Young-Laplace capillarity equation needed to describe nanoscale gas bubbles embedded in metals, scale at which the finite width of the interface region cannot be neglected. We focus in particular on the case of He in Fe. Using both, the concept of Tolman's length that provides a curvature dependence for the interface energy, and a new equation of state for He at the nanoscale that accounts for interface effects (see Caro et al., 2013), we derive an expression to predict pressure, and from it density and the amount of He in nanoscale bubbles. We find that conditions for equilibrium are found for values of pressure or density at variance by a factor of 2 compared to the traditional way of using the capillarity equation and a bulk He EOS. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Caro, A.; Schwen, D.; Hetherly, J.; Martinez, E.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87544 USA. RP Caro, A (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, POB 1663, Los Alamos, NM 87544 USA. EM caro@lanl.gov OI Martinez Saez, Enrique/0000-0002-2690-2622; Schwen, Daniel/0000-0002-8958-4748 FU U.S. Department of Energy at Los Alamos National Laboratory [2008LANL1026] FX This work was performed by the Center for Materials at Irradiation and Mechanical Extremes, an Energy Frontier Research Center funded by the U.S. Department of Energy (Award Number 2008LANL1026) at Los Alamos National Laboratory. NR 38 TC 2 Z9 2 U1 3 U2 27 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 MAY 1 PY 2015 VL 89 BP 14 EP 21 DI 10.1016/j.actamat.2015.01.048 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CG4IP UT WOS:000353249100002 ER PT J AU Suzudo, T Nagai, Y Schwen, D Caro, A AF Suzudo, Tomoaki Nagai, Yasuyoshi Schwen, Daniel Caro, Alfredo TI Hardening in thermally-aged Fe-Cr binary alloys: Statistical parameters of atomistic configuration SO ACTA MATERIALIA LA English DT Article DE Spinodal decomposition; Iron-chromium alloy; Thermal aging; Hardening; Molecular dynamics ID DUPLEX STAINLESS-STEEL; IRON-CHROMIUM ALLOYS; SPINODAL DECOMPOSITION; COMPUTER-MODELS; NEUTRON-IRRADIATION; LEVEL; EMBRITTLEMENT; SYSTEM AB By exploiting Monte Carlo methodology and molecular dynamics, we computationally simulate the spinodal decomposition of iron chromium binary alloys and analyze the relationship between the increase of yield strength induced by the phase separation phenomenon, and statistical parameters of the atomistic configuration. We successfully model the experimentally-discovered proportional relationship between the hardness and the variation parameter (or V), and also found that the adequacy of the parameter V as an empirical indicator of hardening is limited, because it does not properly capture short-range atomistic configurations that influence the hardening. We suggest that the short-range-order parameter has more potential to become universal descriptor of the phenomenon. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Suzudo, Tomoaki] Japan Atom Energy Agcy, Ctr Computat Sci & e Syst, Tokai, Ibaraki 3191195, Japan. [Nagai, Yasuyoshi] Tohoku Univ, Inst Mat Res, Oarai Ctr, Oarai, Ibaraki 3111313, Japan. [Schwen, Daniel; Caro, Alfredo] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Suzudo, T (reprint author), Japan Atom Energy Agcy, Ctr Computat Sci & e Syst, 2-4 Shirane Shirakata, Tokai, Ibaraki 3191195, Japan. EM suzudo.tomoaki@jaea.go.jp RI Nagai, Yasuyoshi/A-8995-2011; OI Schwen, Daniel/0000-0002-8958-4748 FU Center for Materials under Irradiation and Mechanical Extremes, a DOE-OBES Energy Frontier Research Center FX The first author (T. Suzudo) thanks to T. Tsuru of Japan Atomic Energy Agency for helpful discussion on molecular dynamics simulations. This work include the result of "Research and development on degradation prediction of structural materials in nuclear reactors based on microstructural damage mechanisms" entrusted to Tohoku university by Education, Culture, Sports, Science and Technology of Japan (MEXT). A. Caro acknowledges support from the Center for Materials under Irradiation and Mechanical Extremes, a DOE-OBES Energy Frontier Research Center. NR 31 TC 2 Z9 2 U1 1 U2 26 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 MAY 1 PY 2015 VL 89 BP 116 EP 122 DI 10.1016/j.actamat.2015.02.013 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CG4IP UT WOS:000353249100012 ER PT J AU Kwon, J Bowers, ML Brandes, MC McCreary, V Robertson, IM Phani, PS Bei, H Gao, YF Pharr, GM George, EP Mills, MJ AF Kwon, J. Bowers, M. L. Brandes, M. C. McCreary, V. Robertson, I. M. Phani, P. Sndaharshan Bei, H. Gao, Y. F. Pharr, G. M. George, E. P. Mills, M. J. TI Characterization of dislocation structures and deformation mechanisms in as-grown and deformed directionally solidified NiAl-Mo composites SO ACTA MATERIALIA LA English DT Article DE Directional solidification; Dislocation microstructure; in situ composites; Fiber-matrix interaction ID STRAIN GRADIENTS; ALLOY; MICROSTRUCTURES; MICROPILLARS; TEMPERATURES; PLASTICITY; INTERFACE; SCALE; METAL AB Directionally solidified (DS) NiAl-Mo eutectic composites were strained to plastic strain values ranging from 0% to 12% to investigate the origin of the previously observed stochastic versus deterministic mechanical behaviors of Mo-alloy micropillars in terms of the development of dislocation structures at different pre-strain levels. The DS composites consist of long, [1 0 0] single-crystal Mo-alloy fibers with approximately square cross-sections embedded in a [1 0 0] single-crystal NiAl matrix. Scanning transmission electron microscopy (STEM) and computational stress state analysis were conducted for the current study. STEM of the as-grown samples (without pre-straining) reveal no dislocations in the investigated Mo-alloy fibers. In the NiAl matrix, on the other hand, a[1 0 0]-type dislocations exist in two orthogonal orientations: along the [1 0 0] Mo fiber axis, and wrapped around the fiber axis. They presumably form to accommodate the different thermal contractions of the two phases during cool down after eutectic solidification. At intermediate pre-strain levels (4-8%), a/2[1 1 1]-type dislocations are present in the Mo-alloy fibers and the pre-existing dislocations in the NiAl matrix seem to be swept toward the interphase boundary. Some of the dislocations in the Mo-alloy fibers appear to be transformed from a[1 0 0]-type dislocations present in the NiAl matrix. Subsequently, the transformed dislocations in the fibers propagate through the NiAl matrix as a[1 1 1] dislocations and aid in initiating additional slip bands in adjacent fibers. Thereafter, co-deformation presumably occurs by [1 1 1] slip in both phases. With a further increase in the pre-strain level (>10%), multiple a/2[1 1 1]-type dislocations are observed in many locations in the Mo-alloy fibers. Interactions between these systems upon subsequent deformation could lead to stable junctions and persistent dislocation sources. The transition from stochastic to deterministic, bulk-like behavior in sub-micron Mo-alloy pillars may therefore be related to an increasing number of multiple a[1 1 1] dislocation systems within the Mo fibers with increasing pre-strain, considering that the bulk-like behavior is governed by the forest hardening of these junctions. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Kwon, J.; Bowers, M. L.; Brandes, M. C.; Mills, M. J.] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43221 USA. [McCreary, V.; Robertson, I. M.] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Phani, P. Sndaharshan; Gao, Y. F.; Pharr, G. M.; George, E. P.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Bei, H.; Gao, Y. F.; Pharr, G. M.; George, E. P.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Kwon, J (reprint author), Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43221 USA. RI Gao, Yanfei/F-9034-2010; OI Gao, Yanfei/0000-0003-2082-857X; Bei, Hongbin/0000-0003-0283-7990 FU Center for Defect Physics, Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Basic Energy Sciences FX This research was supported by the Center for Defect Physics, an Energy Frontier Research Center, supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. NR 29 TC 5 Z9 5 U1 3 U2 29 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 MAY 1 PY 2015 VL 89 BP 315 EP 326 DI 10.1016/j.actamat.2015.01.059 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CG4IP UT WOS:000353249100031 ER PT J AU Hofmann, F Nguyen-Manh, D Gilbert, MR Beck, CE Eliason, JK Maznev, AA Liu, W Armstrong, DEJ Nelson, KA Dudarev, SL AF Hofmann, F. Nguyen-Manh, D. Gilbert, M. R. Beck, C. E. Eliason, J. K. Maznev, A. A. Liu, W. Armstrong, D. E. J. Nelson, K. A. Dudarev, S. L. TI Lattice swelling and modulus change in a helium-implanted tungsten alloy: X-ray micro-diffraction, surface acoustic wave measurements, and multiscale modelling SO ACTA MATERIALIA LA English DT Article DE Helium implantation; Micro-diffraction; Elastic properties; Density functional theory; Empirical potential ID POWER-PLANT APPLICATIONS; LAUE MICRODIFFRACTION; ELASTIC-CONSTANTS; SINGLE-CRYSTAL; STRUCTURAL MICROSCOPY; NEUTRON-IRRADIATION; MOLECULAR-DYNAMICS; DEFECTS; METALS; STRAIN AB Using X-ray micro-diffraction and surface acoustic wave spectroscopy, we measure lattice swelling and elastic modulus changes in a W-1% Re alloy after implantation with 3110 appm of helium. An observed lattice expansion of a fraction of a per cent gives rise to an order of magnitude larger reduction in the surface acoustic wave velocity. A multiscale model, combining elasticity and density functional theory, is applied to the interpretation of observations. The measured lattice swelling is consistent with the relaxation volume of self-interstitial and helium-filled vacancy defects that dominate the helium-implanted material microstructure. Larger scale atomistic simulations using an empirical potential confirm the findings of the elasticity and density functional theory model for swelling. The reduction of surface acoustic wave velocity predicted by density functional theory calculations agrees remarkably well with experimental observations. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Hofmann, F.] Univ Oxford, Dept Engn Sci, Oxford OX1 3PJ, England. [Nguyen-Manh, D.; Gilbert, M. R.; Dudarev, S. L.] Culham Sci Ctr, CCFE, Abingdon OX14 3DB, Oxon, England. [Nguyen-Manh, D.; Gilbert, M. R.; Beck, C. E.; Armstrong, D. E. J.; Dudarev, S. L.] Univ Oxford, Dept Mat, Oxford OX1 3PH, England. [Eliason, J. K.; Maznev, A. A.; Nelson, K. A.] MIT, Dept Chem, Cambridge, MA 02139 USA. [Liu, W.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Hofmann, F (reprint author), Univ Oxford, Dept Engn Sci, Parks Rd, Oxford OX1 3PJ, England. EM felix.hofmann@eng.ox.ac.uk OI Armstrong, David/0000-0002-5067-5108 FU John Fell fund [122/643]; Royal Society [RG130308]; Royal Academy of Engineering; NSF [CHE-1111557]; U.S. DOE [DE-AC02-06CH11357]; Euratom Research and Training Programme [633053]; United Kingdom Engineering and Physical Sciences Research Council via programme [EP/G050031, EP/H018921] FX We thank B. Abbey, A. De Backer and S. G. Roberts for helpful comments and stimulating discussions, as well as A. Xu and G. Hughes for help with sample preparation. FH acknowledges funding from the John Fell fund (122/643) and the Royal Society (RG130308). DNM acknowledges the International Fusion Energy Research Centre (IFERC) for use of the supercomputer (Helios) at the Computational Simulation Centre (CSC) in Rokkasho (Japan). DEJA acknowledges the Royal Academy of Engineering for support through a Research Fellowship. The SAW measurements at MIT were supported by NSF Grant No. CHE-1111557. 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. In part this work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom Research and Training Programme 2014-2018 under grant agreement No. 633053. To obtain further information on the data and models underlying this paper please contact PublicationsManager@ccfe.ac.uk. The views and opinions expressed herein do not necessarily reflect those of the European Commission. This work was part-funded by the United Kingdom Engineering and Physical Sciences Research Council via programme grants EP/G050031 and EP/H018921. NR 76 TC 13 Z9 13 U1 6 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 MAY 1 PY 2015 VL 89 BP 352 EP 363 DI 10.1016/j.actamat.2015.01.055 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CG4IP UT WOS:000353249100034 ER PT J AU Xu, Y Aguiar, JA Yadav, SK Anderoglu, O Baldwin, JK Wang, YQ Valdez, JA Misra, A Luo, HM Uberuaga, BP Li, N AF Xu, Y. Aguiar, J. A. Yadav, S. K. Anderoglu, O. Baldwin, J. K. Wang, Y. Q. Valdez, J. A. Misra, A. Luo, H. M. Uberuaga, B. P. Li, N. TI Solute redistribution and phase stability at FeCr/TiO2-x interfaces under ion irradiation SO ACTA MATERIALIA LA English DT Article DE Radiation-induced solute redistribution (RISR); Metal/oxide interface; Density functional theory (DFT) ID RADIATION-INDUCED SEGREGATION; INITIO MOLECULAR-DYNAMICS; FERRITIC STEELS; TITANIUM-DIOXIDE; TIO2; ALLOYS; RUTILE; POLYMORPHS; DAMAGE; MODEL AB Cr diffusion in trilayer thin films of 100 nm Fe-18Cr/125 mu TiO2-x/100 mu Fe-18Cr deposited on MgO substrates at 500 degrees C was studied by either annealing at 500 degrees C or Ni3+ ion irradiation at 500 degrees C. Microchemistry and microstructure evolution at the metal/oxide interfaces were investigated using (high-resolution) transmission electron microscopy, energy-dispersive X-ray spectroscopy and electron energy loss spectroscopy. Diffusion of Cr into the O-deficient TiO2 layer, with negligible segregation to the FeCr/TiO2-x interface itself, was observed under both annealing and irradiation. Cr diffusion into TiO2-x was enhanced in ion-irradiated samples as compared to annealed. Irradiation-induced voids and amorphization of TiO2-x was also observed. The experimental results are rationalized using first-principles calculations that suggest an energetic preference for substituting Ti with Cr in sub-stoichiometric TiO2. The implications of these results on the irradiation stability of oxide-dispersed ferritic alloys are discussed. Published by Elsevier Ltd. on behalf of Acta Materialia Inc. C1 [Xu, Y.; Aguiar, J. A.; Yadav, S. K.; Anderoglu, O.; Wang, Y. Q.; Valdez, J. A.; Uberuaga, B. P.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Xu, Y.; Luo, H. M.] New Mexico State Univ, Dept Chem & Mat Engn, Las Cruces, NM 88003 USA. [Baldwin, J. K.; Misra, A.; Li, N.] Los Alamos Natl Lab, Mat Phys & Applicat Div, MPA CINT, Los Alamos, NM 87545 USA. RP Li, N (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, MPA CINT, POB 1663, Los Alamos, NM 87545 USA. EM nanli@lanl.gov RI Yadav, Satyesh/M-6588-2014; Misra, Amit/H-1087-2012; Li, Nan /F-8459-2010; yadav, satyesh/C-5811-2013 OI Li, Nan /0000-0002-8248-9027; yadav, satyesh/0000-0002-6308-6070 FU U.S. Department of Energy through the Los Alamos National Laboratory (LANL)/Laboratory Directed Research & Development (LDRD) Program; Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396]; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; New Mexico Consortium; LANL FX We gratefully acknowledge the support of the U.S. Department of Energy through the Los Alamos National Laboratory (LANL)/Laboratory Directed Research & Development (LDRD) Program for this work. This research used resources provided by the LANL Institutional Computing Program. 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. LANL, an affirmative action/equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. JAA acknowledges access to the ORNL's ShaRE User Facility where part of the TEM work was performed in collaboration with Miaofang Chi and Juan Carlos Idrobo, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. Y. Xu and H. Luo are CMIME affiliates supported by the New Mexico Consortium and LANL. NR 49 TC 5 Z9 5 U1 2 U2 15 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 MAY 1 PY 2015 VL 89 BP 364 EP 373 DI 10.1016/j.actamat.2015.01.071 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CG4IP UT WOS:000353249100035 ER PT J AU Field, KG Yang, Y Allen, TR Busby, JT AF Field, Kevin G. Yang, Ying Allen, Todd R. Busby, Jeremy T. TI Defect sink characteristics of specific grain boundary types in 304 stainless steels under high dose neutron environments SO ACTA MATERIALIA LA English DT Article DE Steel; Grain boundary; Irradiation; Segregation; Misorientation ID RADIATION-INDUCED SEGREGATION; CR-NI ALLOYS; MODEL FERRITIC/MARTENSITIC STEEL; SOLUTE SEGREGATION; FERRITIC ALLOYS; IRRADIATED 304-STAINLESS-STEEL; MICROSTRUCTURAL EVOLUTION; STRUCTURAL-MATERIALS; TWIN BOUNDARIES; FUSION ENERGY AB Radiation induced segregation (RIS) is a well-studied phenomena which occurs in many structurally relevant nuclear materials including austenitic stainless steels. RIS occurs due to solute atoms preferentially coupling with mobile point defect fluxes that migrate and interact with defect sinks. Here, a 304 stainless steel was neutron irradiated up to 47.1 dpa at 320 degrees C. Investigations into the RIS response at specific grain boundary types were used to determine the sink characteristics of different boundary types as a function of irradiation dose. A rate theory model built on the foundation of the modified inverse Kirkendall (MIK) model is proposed and benchmarked to the experimental results. This model, termed the GiMIK model, includes alterations in the boundary conditions based on grain boundary structure and expressions for interstitial binding. This investigation, through experiment and modeling, found specific grain boundary structures exhibiting unique defect sink characteristics depending on their local structure. Such interactions were found to be consistent across all doses investigated and to have larger global implications, including precipitation of Ni Si clusters near different grain boundary types. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Field, Kevin G.; Yang, Ying; Busby, Jeremy T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Allen, Todd R.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Field, KG (reprint author), Mat Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA. EM fieldkg@ornl.gov; yangying@ornl.gov; todd.allen@inl.gov; busbyjt@ornl.gov RI Yang, Ying/E-5542-2017; OI Yang, Ying/0000-0001-6480-2254; Allen, Todd/0000-0002-2372-7259 FU U.S. Department of Energy, Office of Nuclear Energy; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division FX Experiments by KGF were sponsored by the U.S. Department of Energy, Office of Nuclear Energy, for the Light Water Reactor Sustainability Research and Development Effort. MIK/GiMIK modeling by YY was sponsored by the U.S. Department of Energy, Office of Nuclear Energy, for the Nuclear Energy Enabling Technology (NEET) program as part of the Reactor Materials Cross-cut activity. Assessment of the GiMIK model and development of sink strength concepts by KGF was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. A part of the microscopy work by KGF was conducted at the Center for Nanophase Materials Sciences (CNMS), which is a DOE Office of Science User Facility. The authors would like to thank Dr. L. Tan and Dr. M.N. Gussev from Oak Ridge National Laboratory (ORNL) for their fruitful discussions about the results. YY would also like to thank Dr. T.S. Duh for the discussion on the GiMIK model development. NR 72 TC 4 Z9 4 U1 3 U2 27 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 MAY 1 PY 2015 VL 89 BP 438 EP 449 DI 10.1016/j.actamat.2015.01.064 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CG4IP UT WOS:000353249100041 ER PT J AU Valdez, CA Leif, RN AF Valdez, Carlos A. Leif, Roald N. TI Chemical tagging of chlorinated phenols for their facile detection and analysis by NMR spectroscopy SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE Pentachlorophenol; Endocrine disruptor; Difluoromethylation; NMR ID PENTACHLOROPHENOL; CHLOROPHENOLS; DERIVATIVES; ENVIRONMENT; HERBICIDES; SAMPLES AB A derivatization method that employs diethyl (bromodifluoromethyl) phosphonate (DBDFP) to efficiently tag the endocrine disruptor pentachlorophenol (PCP) and other chlorinated phenols (CPs) along with their reliable detection and analysis by NMR is presented. The method accomplishes the efficient alkylation of the hydroxyl group in CPs with the difluoromethyl (CF2H) moiety in extremely rapid fashion (5 min), at room temperature and in an environmentally benign manner. The approach proved successful in difluoromethylating a panel of 18 chlorinated phenols, yielding derivatives that displayed unique H-1, F-19, and C-13 NMR spectra allowing for the clear discrimination between isomerically related CPs. Due to its biphasic nature, the derivatization can be applied to both aqueous and organic mixtures where the analysis of CPs is required. Furthermore, the methodology demonstrates that PCP along with other CPs can be selectively derivatized in the presence of other various aliphatic alcohols, underscoring the superiority of the approach over other general derivatization methods that indiscriminately modify all analytes in a given sample. The present work demonstrates the first application of NMR on the qualitative analysis of these highly toxic and environmentally persistent species. C1 [Valdez, Carlos A.; Leif, Roald N.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Valdez, Carlos A.; Leif, Roald N.] Lawrence Livermore Natl Lab, Forens Sci Ctr, Livermore, CA 94550 USA. RP Valdez, CA (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 East Ave,L-091, Livermore, CA 94550 USA. EM valdez11@llnl.gov FU U.S. Department of Energy [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 12 TC 0 Z9 0 U1 3 U2 12 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 EI 1618-2650 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD MAY PY 2015 VL 407 IS 13 BP 3539 EP 3543 DI 10.1007/s00216-015-8625-2 PG 5 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA CG4CS UT WOS:000353230400001 PM 25796530 ER PT J AU Yoon, S Sanford, RA Loffler, FE AF Yoon, Sukhwan Sanford, Robert A. Loeffler, Frank E. TI Nitrite Control over Dissimilatory Nitrate/Nitrite Reduction Pathways in Shewanella loihica Strain PV-4 SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID NITROUS-OXIDE; BACTERIAL DENITRIFICATION; NITRATE AMMONIFICATION; ESCHERICHIA-COLI; ACCUMULATION; INHIBITION; SOILS; OXYGEN; GENE; COMPETITION AB Shewanella loihica strain PV-4 harbors both a functional denitrification (NO3--> N-2) and a respiratory ammonification (NO3--> NH4+) pathway. Batch and chemostat experiments revealed that NO2- affects pathway selection and the formation of reduced products. Strain PV-4 cells grown with NO2- as the sole electron acceptor produced exclusively NH4+. With NO3- as the electron acceptor, denitrification predominated and N2O accounted for similar to 90% of reduced products in the presence of acetylene. Chemostat experiments demonstrated that the NO2-:NO3- ratio affected the distribution of reduced products, and respiratory ammonification dominated at high NO2-:NO3- ratios, whereas low NO2-:NO3- ratios favored denitrification. The NO2-:NO3- ratios affected nirK transcript abundance, a measure of denitrification activity, in the chemostat experiments, and cells grown at a NO2-:NO3- ratio of 3 had similar to 37-fold fewer nirK transcripts per cell than cells grown with NO3- as the sole electron acceptor. In contrast, the transcription of nrfA, implicated in NO2--to-NH4- reduction, remained statistically unchanged under continuous cultivation conditions at NO2-: NO3- ratios below 3. At NO2-:NO3- ratios above 3, both nirK and nrfA transcript numbers decreased and the chemostat culture washed out, presumably due to NO2- toxicity. These findings implicate NO2- as a relevant modulator of NO3- fate in S. loihica strain PV-4, and, by extension, suggest that NO2- is a relevant determinant for N retention (i.e., ammonification) versus N loss and greenhouse gas emission (i.e., denitrification). C1 [Yoon, Sukhwan; Loeffler, Frank E.] Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37932 USA. [Yoon, Sukhwan; Loeffler, Frank E.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37932 USA. [Loeffler, Frank E.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37932 USA. [Yoon, Sukhwan] Korea Adv Inst Sci & Technol, Dept Civil & Environm Engn, Taejon 305701, South Korea. [Sanford, Robert A.] Univ Illinois, Dept Geol, Urbana, IL 61801 USA. [Loeffler, Frank E.] Univ Tennessee, Oak Ridge, TN USA. [Loeffler, Frank E.] Oak Ridge Natl Lab, UT ORNL JIBS, Oak Ridge, TN USA. [Loeffler, Frank E.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP Yoon, S (reprint author), Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37932 USA. EM syoon80@kaist.ac.kr; frank.loeffler@utk.edu RI Yoon, Sukhwan/I-1605-2014; Yoon, Sukhwan/E-2503-2017 OI Yoon, Sukhwan/0000-0002-9933-7054 FU U.S. Department of Energy, Office of Biological and Environmental Research, Genomic Science Program [DE-SC0006662] FX This research was supported by the U.S. Department of Energy, Office of Biological and Environmental Research, Genomic Science Program, award DE-SC0006662. NR 41 TC 5 Z9 5 U1 1 U2 46 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD MAY PY 2015 VL 81 IS 10 BP 3510 EP 3517 DI 10.1128/AEM.00688-15 PG 8 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA CG5MV UT WOS:000353336900024 PM 25769828 ER PT J AU Breault, RW Monazam, ER AF Breault, Ronald W. Monazam, Esmail R. TI Fixed bed reduction of hematite under alternating reduction and oxidation cycles SO APPLIED ENERGY LA English DT Article DE Chemical looping combustion; Fixed bed reactor; Hematite reduction ID CHEMICAL-LOOPING COMBUSTION; OXYGEN CARRIER; IRON-OXIDE; REACTOR; FE2O3; PARTICLES; CAPTURE AB The rate of the reduction reaction of a low cost natural hematite oxygen carrier for chemical looping combustion was investigated in a fixed bed reactor where hematite samples of about 1 kg were exposed to a flowing stream of methane and argon. The investigation aims to develop understanding of the factors that govern the rate of reduction with in larger reactors as compared to mostly TGA investigations in the literature. A comparison of the experimental data with a model indicated that reaction between the methane and the iron oxide shows multi-step reactions. The analysis also shows that the conversion occurs with a process that likely consumes all the oxygen close to the surface of the hematite particles and another process that is likely controlled by the diffusion of oxygen to the surface of the particles. Additional analysis shows that the thickness of the fast layer is on the order of 8 unit crystals. This is only about 0.4% of the hematite; however, it comprises about 20-25% of the conversion for the 10 min reduction cycle. Published by Elsevier Ltd. C1 [Breault, Ronald W.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Monazam, Esmail R.] REM Engn Serv PLLC, Morgantown, WV 26505 USA. RP Breault, RW (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM ronald.breault@netl.doe.gov OI Breault, Ronald/0000-0002-5552-4050 FU Department of Energy through the office of Fossil Energy FX The authors acknowledge the Department of Energy for funding the research through the office of Fossil Energy's Gasification Technology and Advanced Research funding programs. Special thanks go to Duane Miller and Rich Eddy of URS Energy & Construction, Inc. for their assistance with experimental work and data. The authors also extend thanks to Dr. George Richards and Dave Huckaby for their input in numerous discussions. NR 29 TC 3 Z9 3 U1 1 U2 21 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 MAY 1 PY 2015 VL 145 BP 180 EP 190 DI 10.1016/j.apenergy.2015.02.018 PG 11 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA CG0ZF UT WOS:000353002100017 ER PT J AU Li, MD Cui, WP Wu, LJ Meng, QP Zhu, YM Zhang, Y Liu, WS Ren, ZF AF Li, Mingda Cui, Wenping Wu, Lijun Meng, Qingping Zhu, Yimei Zhang, Yong Liu, Weishu Ren, Zhifeng TI Topological effect of surface plasmon excitation in gapped isotropic topological insulator nanowires SO CANADIAN JOURNAL OF PHYSICS LA English DT Article ID NANORODS; POLARITONS; RESONANCE; SENSORS AB We present a theoretical investigation of the surface plasmon (SP) at the interface between a topologically nontrivial cylindrical core and a topologically trivial surrounding material, from the axion electrodynamics and modified constitutive relations. We find that the topological effect always leads to a red-shift of SP energy, while the energy red-shift decreases monotonically as core diameter decreases. A qualitative picture based on classical perturbation theory is given to explain these phenomena, from which we also infer that to enhance the shift, the difference between the inverse of dielectric constants of two materials must be increased. We also find that the surrounding magnetic environment suppresses the topological effect. All these features can be well described by a simple ansatz surface wave, which is in good agreement with full electromagnetic eigenmodes. In addition, bulk plasmon energy at omega(p) = 17.5 +/- 0.2 eV for a semiconducting Bi2Se3 nanoparticle is observed from high-resolution electron energy loss spectrum measurements. C1 [Li, Mingda] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. [Cui, Wenping] Univ Bonn, Dept Phys, D-53113 Bonn, Germany. [Cui, Wenping] Univ Cologne, Inst Theoret Phys, D-50937 Cologne, Germany. [Wu, Lijun; Meng, Qingping; Zhu, Yimei] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Zhang, Yong] MIT, Ctr Mat Sci & Engn, Cambridge, MA 02139 USA. [Liu, Weishu; Ren, Zhifeng] Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. RP Li, MD (reprint author), MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM mingda@mit.edu NR 40 TC 1 Z9 1 U1 4 U2 24 PU CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS PI OTTAWA PA 65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA SN 0008-4204 EI 1208-6045 J9 CAN J PHYS JI Can. J. Phys. PD MAY PY 2015 VL 93 IS 5 BP 591 EP 598 DI 10.1139/cjp-2014-0418 PG 8 WC Physics, Multidisciplinary SC Physics GA CG8SY UT WOS:000353584000015 ER PT J AU Wasserman, HJ Gerber, RA AF Wasserman, Harvey J. Gerber, Richard A. TI The National Energy Research Scientific Computing Center: Forty Years of Supercomputing Leadership SO COMPUTING IN SCIENCE & ENGINEERING LA English DT Editorial Material C1 [Wasserman, Harvey J.; Gerber, Richard A.] Lawrence Berkeley Natl Lab, Natl Energy Res Sci Comp Ctr, Berkeley, CA 94720 USA. RP Wasserman, HJ (reprint author), Lawrence Berkeley Natl Lab, Natl Energy Res Sci Comp Ctr, Berkeley, CA 94720 USA. EM hjwasserman@lbl.gov; ragerber@lbl.gov NR 1 TC 0 Z9 0 U1 1 U2 4 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1521-9615 EI 1558-366X J9 COMPUT SCI ENG JI Comput. Sci. Eng. PD MAY-JUN PY 2015 VL 17 IS 3 BP 6 EP 8 PG 3 WC Computer Science, Interdisciplinary Applications SC Computer Science GA CG6TU UT WOS:000353436100002 ER PT J AU Ethier, S Chang, CS Ku, SH Lee, WL Wang, WX Lin, ZH Tang, W AF Ethier, Stephane Chang, Choon-Seock Ku, Seung-Hoe Lee, Wei-li Wang, Weixing Lin, Zhihong Tang, William TI NERSC's Impact on Advances of Global Gyrokinetic PIC Codes for Fusion Energy Research SO COMPUTING IN SCIENCE & ENGINEERING LA English DT Article ID PARTICLE SIMULATION-MODEL; NUMERICAL SIMULATION; PLASMA; TURBULENCE; TRANSPORT; GEOMETRY; SCALE; FLOWS AB The National Energy Research Scientific Computing Center (NERSC) was originally launched as a computing center for the exclusive support of magnetic confinement fusion research in the US. One example of the numerous computational achievements enabled by NERSC is the development Of the global gyrokinetic particle-in-cell approach for the simulation of turbulent transport in tokamak fusion devices. C1 [Ethier, Stephane] US DOE, Computat Plasma Phys Grp, Princeton Plasma Phys Lab, Washington, DC 20585 USA. [Chang, Choon-Seock; Lee, Wei-li] Princeton Plasma Phys Lab, Princeton, NJ USA. [Ku, Seung-Hoe; Wang, Weixing] US DOE, Princeton Plasma Phys Lab, Washington, DC 20585 USA. [Lin, Zhihong] Univ Calif Irvine, Phys, Irvine, CA USA. [Lin, Zhihong] Univ Calif Irvine, DOEs SciDAC GSEP Ctr, Irvine, CA USA. [Tang, William] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. [Tang, William] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Tang, William] Princeton Univ, Execut Board, Princeton Inst Computat Sci & Engn, Princeton, NJ 08544 USA. RP Ethier, S (reprint author), US DOE, Computat Plasma Phys Grp, Princeton Plasma Phys Lab, Washington, DC 20585 USA. EM ethier@pppl.gov; cschang@pppl.gov; sku@pppl.gov; wwlee@pppl.gov; wwang@pppl.gov; zhihongl@uci.edu; wtang@princeton.edu RI Ku, Seung-Hoe/D-2315-2009 OI Ku, Seung-Hoe/0000-0002-9964-1208 FU US Department of Energy [DE-AC02-09CH11466]; US Department of Energy (DOE) SciDAC GSEP Center; Office of Science, the US Department of Energy [DE-AC02-05CH11231] FX Research at the Princeton Plasma Physics Laboratory is supported by the US Department of Energy, contract DE-AC02-09CH11466. Z. Lin is funded in part by the US Department of Energy (DOE) SciDAC GSEP Center. The research presented used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science, the US Department of Energy, under contract number DE-AC02-05CH11231. NR 45 TC 0 Z9 0 U1 1 U2 7 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1521-9615 EI 1558-366X J9 COMPUT SCI ENG JI Comput. Sci. Eng. PD MAY-JUN PY 2015 VL 17 IS 3 BP 10 EP 21 PG 12 WC Computer Science, Interdisciplinary Applications SC Computer Science GA CG6TU UT WOS:000353436100003 ER PT J AU Borrill, J Keskitalo, R Kisner, T AF Borrill, Julian Keskitalo, Reijo Kisner, Theodore TI Big Bang, Big Data, Big Iron: Fifteen Years of Cosmic Microwave Background Data Analysis at NERSC SO COMPUTING IN SCIENCE & ENGINEERING LA English DT Article AB The analysis of Cosmic Microwave Background (CMB) datasets poses a significant computational challenge. Since 1997, researchers at Berkeley Lab have used the National Energy Research Scientific Computing Center (NERSC) to meet this challenge, constantly adapting their analysis algorithms and implementations to both the exponential growth of the data and the architectural evolution of the NERSC supercomputers. C1 [Borrill, Julian] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Keskitalo, Reijo] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Kisner, Theodore] Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA USA. RP Borrill, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. EM jdborrill@lbl.gov; rtkeskitalo@lbl.gov; tskisner@lbl.gov FU US Department of Energy's Office of High Energy Physics; National Science Foundation's PetaApps program; Office of Science of the DOE [DE-AC02-05CH11231]; NASA FX This work was made possible by funding from the US Department of Energy's Office of High Energy Physics, NASA's AISR and APRA programs, and the National Science Foundation's PetaApps program. It used very significant resources at the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the DOE under contract number DE-AC02-05CH11231. NR 6 TC 1 Z9 1 U1 1 U2 6 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1521-9615 EI 1558-366X J9 COMPUT SCI ENG JI Comput. Sci. Eng. PD MAY-JUN PY 2015 VL 17 IS 3 BP 22 EP 29 PG 8 WC Computer Science, Interdisciplinary Applications SC Computer Science GA CG6TU UT WOS:000353436100004 ER PT J AU Deslippe, J Austin, B Daley, C Yang, WS AF Deslippe, Jack Austin, Brian Daley, Chris Yang, Woo-Sun TI Lessons Learned from Optimizing Science Kernels for Intel's "Knights Corner" Architecture SO COMPUTING IN SCIENCE & ENGINEERING LA English DT Article AB Optimizing the codes and kernels representing the National Energy Research Scientific Computing Center's workload on the Knights Corner architecture helped pave the path for NERSC's newest machine. Con will use the next generation of Intel Xeon Phi processors: Knights Landing. C1 [Deslippe, Jack; Austin, Brian; Daley, Chris; Yang, Woo-Sun] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Deslippe, J (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM jrdeslippe@lbl.gov; baustin@lbl.gov; csdaley@lbl.gov; wyang@lbl.gov FU Office of Science of the US Department of Energy [DE-AC02-05CH11231]; 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] FX This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. The BerkeleyGW 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 of Advanced Scientific Computing Research, under contract number DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. We thank Helen He and Nick Cardo for configuration of the NERSC Babbage KNC testbed system. We also thank Nick Wright, Katie Antypas, Harvey Wasserman, Matt Cordery, and other members of the NERSC app readiness team for helpful discussion and collaboration during this process. NR 17 TC 1 Z9 1 U1 0 U2 4 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1521-9615 EI 1558-366X J9 COMPUT SCI ENG JI Comput. Sci. Eng. PD MAY-JUN PY 2015 VL 17 IS 3 BP 30 EP 42 PG 13 WC Computer Science, Interdisciplinary Applications SC Computer Science GA CG6TU UT WOS:000353436100005 ER PT J AU Yao, YS Bowen, BP Baron, D Poznanski, D AF Yao, Yushu Bowen, Benjamin P. Baron, Dalya Poznanski, Dovi TI SciDB for High-Performance Array-Structured Science Data at NERSC SO COMPUTING IN SCIENCE & ENGINEERING LA English DT Article ID DIFFUSE INTERSTELLAR BANDS AB NERSC's approach to dealing with large amounts of structured data involves using SciDB as a unified data management, analysis, and sharing framework. Two use cases and their basic operations describe how researchers analyze different workloads and scales. C1 [Yao, Yushu] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bowen, Benjamin P.] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. [Baron, Dalya] Tel Aviv Univ, Phys & Elect Engn, IL-69978 Tel Aviv, Israel. [Poznanski, Dovi] Tel Aviv Univ, Phys & Astron, IL-69978 Tel Aviv, Israel. RP Yao, YS (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM yyao@lbl.gov; bpbowen@lbl.gov; dalyabaron@gmail.com; dovi@tau.ac.il NR 14 TC 2 Z9 3 U1 1 U2 3 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1521-9615 EI 1558-366X J9 COMPUT SCI ENG JI Comput. Sci. Eng. PD MAY-JUN PY 2015 VL 17 IS 3 BP 44 EP 52 PG 9 WC Computer Science, Interdisciplinary Applications SC Computer Science GA CG6TU UT WOS:000353436100006 ER PT J AU Jones, KE AF Jones, Katie Elyce TI Titan Takes on the Universe: Large-Scale Cosmology Simulation of Universe Mines for Halos Where Galaxies Are Born SO COMPUTING IN SCIENCE & ENGINEERING LA English DT Article C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Jones, KE (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM joneskel@ornl.gov FU US Department of Energy [DE-AC0500OR22725]; US Department of Energy's Office of High Energy Physics; DoE's Office of Science's Advanced Scientific Computing Research Program FX This manuscript has been authored by UT-Battelle, LLC, under contract no. DE-AC0500OR22725 with the US Department of Energy. The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for the US government purposes. The DoE 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). This research is supported by the US Department of Energy's Office of High Energy Physics and the DoE's Office of Science's Advanced Scientific Computing Research Program. NR 0 TC 0 Z9 0 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1521-9615 EI 1558-366X J9 COMPUT SCI ENG JI Comput. Sci. Eng. PD MAY-JUN PY 2015 VL 17 IS 3 BP 68 EP 69 PG 2 WC Computer Science, Interdisciplinary Applications SC Computer Science GA CG6TU UT WOS:000353436100009 ER PT J AU Yun, EJ Lee, S Kim, HT Pelton, JG Kim, S Ko, HJ Choi, IG Kim, KH AF Yun, Eun Ju Lee, Saeyoung Kim, Hee Taek Pelton, Jeffrey G. Kim, Sooah Ko, Hyeok-Jin Choi, In-Geol Kim, Kyoung Heon TI The novel catabolic pathway of 3,6-anhydro-L-galactose, the main component of red macroalgae, in a marine bacterium SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SACCHAROPHAGUS-DEGRADANS 2-40; BETA-AGARASE; ETHANOL-PRODUCTION; ESCHERICHIA-COLI; METABOLIC NETWORKS; ZYMOMONAS-MOBILIS; GELIDIUM-AMANSII; ACID-HYDROLYSIS; AGAROSE; ENZYME AB The catabolic fate of the major monomeric sugar of red macroalgae, 3,6-anhydro-L-galactose (AHG), is completely unknown in any organisms. AHG is not catabolized by ordinary fermentative microorganisms, and it hampers the utilization of red macroalgae as renewable biomass for biofuel and chemical production. In this study, metabolite and transcriptomic analyses of Vibrio sp., a marine bacterium capable of catabolizing AHG as a sole carbon source, revealed two key metabolic intermediates of AHG, 3,6-anhydrogalactonate (AHGA) and 2-keto-3-deoxy-galactonate; the corresponding genes were verified in vitro enzymatic reactions using their recombinant proteins. Oxidation by an NADP(+)-dependent AHG dehydrogenase and isomerization by an AHGA cycloisomerase are the two key AHG metabolic processes. This newly discovered metabolic route was verified in vivo by demonstrating the growth of Escherichia coli harbouring the genes of these two enzymes on AHG as a sole carbon source. Also, the introduction of only these two enzymes into an ethanologenic E.coli strain increased the ethanol production in E.coli by fermenting both AHG and galactose in an agarose hydrolysate. These findings provide not only insights for the evolutionary adaptation of a central metabolic pathway to utilize uncommon substrates in microbes, but also a metabolic design principle for bioconversion of red macroalgal biomass into biofuels or industrial chemicals. C1 [Yun, Eun Ju; Lee, Saeyoung; Kim, Hee Taek; Kim, Sooah; Ko, Hyeok-Jin; Choi, In-Geol; Kim, Kyoung Heon] Korea Univ, Dept Biotechnol, Grad Sch, Seoul 136713, South Korea. [Pelton, Jeffrey G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Kim, KH (reprint author), Korea Univ, Dept Biotechnol, Grad Sch, Seoul 136713, South Korea. EM igchoi@korea.ac.kr; khekim@korea.ac.kr RI Kim, Kyoung Heon/F-1059-2013; Choi, In-Geol/F-3152-2013 OI Kim, Kyoung Heon/0000-0003-4600-8668; FU National Research Foundation (NRF) - Ministry of Education [2011-0015629]; Advanced Biomass R&D Center of Korea - Ministry of Science, ICT and Future Planning [2011-0031353] FX This work was supported by grants from the National Research Foundation (NRF) (2011-0015629) funded by the Ministry of Education and the Advanced Biomass R&D Center of Korea (2011-0031353) funded by the Ministry of Science, ICT and Future Planning. Facility support at the Korea University Food Safety Hall for the Institute of Biomedical Science and Food Safety is acknowledged. NR 48 TC 14 Z9 16 U1 1 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 MAY PY 2015 VL 17 IS 5 BP 1677 EP 1688 DI 10.1111/1462-2920.12607 PG 12 WC Microbiology SC Microbiology GA CG7TD UT WOS:000353507100016 PM 25156229 ER PT J AU Wolsky, AM AF Wolsky, Alan M. TI On a charge conserving alternative to Maxwell's displacement current SO EUROPEAN JOURNAL OF PHYSICS LA English DT Article DE electromagnetism; displacement current; local conservation of charge; magneto-quasistatics; electro-quasistatics; Darwin approximation; electrodynamics ID COULOMB GAUGE; NEWTONS LAW; CAUSALITY; FIELD; GRAVITATION AB Though sufficient for local conservation of charge, we show that Maxwell's displacement current is not necessary. An alternative to the Ampere-Maxwell equation is exhibited and the alternative's electric and magnetic fields and scalar and vector potentials are expressed in terms of the charge and current densities. The alternative describes a theory in which action is instantaneous and so may provide a good approximation to Maxwell's equations where and when the finite speed of light can be neglected. The result is reminiscent of the Darwin approximation which arose from the study classical charged point particles to order (v/c)(2) in the Lagrangian. Unlike Darwin's, this approach does not depend on the constitution of the electric current. Instead, this approach grows from a straightforward revision of the Ampere equation that enforces the local conservation of charge. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Wolsky, AM (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM AWolsky@ANL.gov NR 43 TC 0 Z9 0 U1 1 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0143-0807 EI 1361-6404 J9 EUR J PHYS JI Eur. J. Phys. PD MAY PY 2015 VL 36 IS 3 AR 035019 DI 10.1088/0143-0807/36/3/035019 PG 13 WC Education, Scientific Disciplines; Physics, Multidisciplinary SC Education & Educational Research; Physics GA CG1VT UT WOS:000353064100019 ER PT J AU Schimel, D Pavlick, R Fisher, JB Asner, GP Saatchi, S Townsend, P Miller, C Frankenberg, C Hibbard, K Cox, P AF Schimel, David Pavlick, Ryan Fisher, Joshua B. Asner, Gregory P. Saatchi, Sassan Townsend, Philip Miller, Charles Frankenberg, Christian Hibbard, Kathy Cox, Peter TI Observing terrestrial ecosystems and the carbon cycle from space SO GLOBAL CHANGE BIOLOGY LA English DT Review DE arctic; boreal; carbon; climate feedback; diversity; fluroescence; spectroscopy; tropics ID EARTH SYSTEM MODELS; CHLOROPHYLL FLUORESCENCE; ATMOSPHERIC CO2; IMAGING SPECTROSCOPY; FOREST PRODUCTIVITY; AMAZONIAN FOREST; GLOBAL PATTERNS; GROWING-SEASON; DATA SET; CLIMATE AB Terrestrial ecosystem and carbon cycle feedbacks will significantly impact future climate, but their responses are highly uncertain. Models and tipping point analyses suggest the tropics and arctic/boreal zone carbon-climate feedbacks could be disproportionately large. In situ observations in those regions are sparse, resulting in high uncertainties in carbon fluxes and fluxes. Key parameters controlling ecosystem carbon responses, such as plant traits, are also sparsely observed in the tropics, with the most diverse biome on the planet treated as a single type in models. We analyzed the spatial distribution of in situ data for carbon fluxes, stocks and plant traits globally and also evaluated the potential of remote sensing to observe these quantities. New satellite data products go beyond indices of greenness and can address spatial sampling gaps for specific ecosystem properties and parameters. Because environmental conditions and access limit in situ observations in tropical and arctic/boreal environments, use of space-based techniques can reduce sampling bias and uncertainty about tipping point feedbacks to climate. To reliably detect change and develop the understanding of ecosystems needed for prediction, significantly, more data are required in critical regions. This need can best be met with a strategic combination of remote and in situ data, with satellite observations providing the dense sampling in space and time required to characterize the heterogeneity of ecosystem structure and function. C1 [Schimel, David; Pavlick, Ryan; Fisher, Joshua B.; Saatchi, Sassan; Miller, Charles; Frankenberg, Christian] CALTECH, Jet Prop Lab, Pasadena, CA 91101 USA. [Asner, Gregory P.] Carnegie Inst Sci, Dept Global Ecol, Stanford, CA 94305 USA. [Townsend, Philip] Univ Wisconsin, Madison, WI 53706 USA. [Hibbard, Kathy] Pacific NW Natl Lab, Richland, WA 99352 USA. [Cox, Peter] Univ Exeter, Coll Engn Math & Phys Sci, Exeter EX4 4QF, Devon, England. RP Schimel, D (reprint author), CALTECH, Jet Prop Lab, Pasadena, CA 91101 USA. EM dschimel@jpl.nasa.gov RI Cox, Peter/B-3299-2012; Townsend, Philip/B-5741-2008; Frankenberg, Christian/A-2944-2013; OI Townsend, Philip/0000-0001-7003-8774; Frankenberg, Christian/0000-0002-0546-5857; Schimel, David/0000-0003-3473-8065; Fisher, Joshua/0000-0003-4734-9085 FU National Aeronautics and Space Administration; IGBP; European Space Agency FX This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, and was under a contract with the National Aeronautics and Space Administration. This study made use of TRENDY terrestrial process model output downloaded in January 2012 (Fig. 3). We thank the TRENDY modelers: Stephen Sitch, Chris Huntingford, Ben Poulter, Anders Ahlstrom, Mark Lomas, Peter Levy, Sam Levis, Sonke Zaehle, Nicolas Viovy and Ning Zeng. We also thank Jens Kattge and the TRY database project participants for access to data and metadata on plant traits, and Bev Law and Dennis Baldocchi for comments and encouragement. This manuscript is in part an outcome of an International Geosphere Biosphere Project workshop held at Merton College, Oxford, and we thank the IGBP and the European Space Agency for their support. NR 88 TC 42 Z9 42 U1 33 U2 174 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 MAY PY 2015 VL 21 IS 5 BP 1762 EP 1776 DI 10.1111/gcb.12822 PG 15 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA CG3ZX UT WOS:000353220500003 PM 25472464 ER PT J AU Zelinka, SL Gleber, SC Vogt, S Lopez, GMR Jakes, JE AF Zelinka, Samuel L. Gleber, Sophie-Charlotte Vogt, Stefan Lopez, Gabriela M. Rodriguez Jakes, Joseph E. TI Threshold for ion movements in wood cell walls below fiber saturation observed by X-ray fluorescence microscopy (XFM) SO HOLZFORSCHUNG LA English DT Article DE ionic conduction; micro X-ray fluorescence; percolation; wood anatomy; wood-moisture relations ID ALLOY COATED STEEL; WATER RELATIONS; BEHAVIOR; MOISTURE; DECAY; ZINC AB Diffusion of chemicals and ions through the wood cell wall plays an important role in wood damage mechanisms. In the present work, free diffusion of ions through wood secondary walls and middle lamellae has been investigated as a function of moisture content (MC) and anatomical direction. Various ions (K, Cl, Zn, Cu) were injected into selected regions of 2 mu m thick wood sections with a microinjector and then the ion distribution was mapped by means of X-ray fluorescence microscopy with submicron spatial resolution. The MC of the wood was controlled in situ by means of climatic chamber with controlled relative humidity (RH). For all ions investigated, there was a threshold RH below which the concentration profiles did not change. The threshold RH depended upon ionic species, cell wall layer, and wood anatomical orientation. Above the threshold RH, differences in mobility among ions were observed and the mobility depended upon anatomical direction and cell wall layer. These observations support a recently proposed percolation model of electrical conduction in wood. The results contribute to understanding the mechanisms of fungal decay and fastener corrosion that occur below the fiber saturation point. C1 [Jakes, Joseph E.] US Forest Serv, Forest Biopolymers Sci & Engn, USDA, Forest Prod Lab, Madison, WI 53726 USA. [Zelinka, Samuel L.; Lopez, Gabriela M. Rodriguez] US Forest Serv, Durabil & Wood Protect Res, USDA, Forest Prod Lab, Madison, WI 53726 USA. [Gleber, Sophie-Charlotte; Vogt, Stefan] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Jakes, JE (reprint author), US Forest Serv, Forest Biopolymers Sci & Engn, USDA, Forest Prod Lab, One Gifford Pinchot Dr, Madison, WI 53726 USA. EM jjakes@fs.fed.us RI Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013 OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513 FU USDA PECASE Awards; SURE-REU program at UW-Madison; US Department of Energy, Basic Energy Sciences, Office of Science [W-31-109-Eng-38] FX JEJ and SLZ acknowledge funding from 2011 and 2010 USDA PECASE Awards, respectively. GMR acknowledges the SURE-REU program at UW-Madison for support to conduct research during summer 2013. The use of Advanced Photon Source facilities was supported by the US Department of Energy, Basic Energy Sciences, Office of Science, under contract number W-31-109-Eng-38. The authors acknowledge the machine shop at the Forest Products Laboratory for construction of the in situ relative humidity chamber. NR 24 TC 8 Z9 8 U1 0 U2 10 PU WALTER DE GRUYTER GMBH PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 0018-3830 EI 1437-434X J9 HOLZFORSCHUNG JI Holzforschung PD MAY PY 2015 VL 69 IS 4 BP 441 EP 448 DI 10.1515/hf-2014-0138 PG 8 WC Forestry; Materials Science, Paper & Wood SC Forestry; Materials Science GA CG6NR UT WOS:000353419400008 ER PT J AU Ton, DT Wang, WTP AF Ton, Dan T. Wang, W-T. Paul TI A More Resilient Grid SO IEEE Power & Energy Magazine LA English DT Article C1 [Ton, Dan T.] US DOE, Washington, DC 20585 USA. [Wang, W-T. Paul] Energy & Environm Resources Grp LLC, Pittsburgh, PA USA. RP Ton, DT (reprint author), US DOE, Washington, DC 20585 USA. NR 0 TC 2 Z9 4 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1540-7977 EI 1558-4216 J9 IEEE POWER ENERGY M JI IEEE Power Energy Mag. PD MAY-JUN PY 2015 VL 13 IS 3 BP 26 EP 34 DI 10.1109/MPE.2015.2397337 PG 9 WC Engineering, Electrical & Electronic SC Engineering GA CG9LH UT WOS:000353636100005 ER PT J AU Marnay, C Aki, H Hirose, K Kwasinski, A Ogura, S Shinji, T AF Marnay, Chris Aki, Hirohisa Hirose, Keiichi Kwasinski, Alexis Ogura, Saori Shinji, Takao TI Japan's Pivot to Resilience: How Two Microgrids Fared After the 2011 Earthquake SO IEEE POWER & ENERGY MAGAZINE LA English DT Article C1 [Marnay, Chris] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Aki, Hirohisa] Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki, Japan. [Hirose, Keiichi] NTT Facil, Tokyo, Japan. [Kwasinski, Alexis] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Ogura, Saori] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Shinji, Takao] Tokyo Gas, Tokyo, Japan. RP Marnay, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. OI Aki, Hirohisa/0000-0001-9012-459X FU U.S. National Science Foundation under a CAREER ECCS [0845828] FX The authors have benefitted from valuable input as well as graphics and other materials from several sources. They particularly recognize the following: Andrea Mammoli at the University of New Mexico, Alex McEachern at Power Standards Laboratory, Kimio Morino at Shimizu Corp., and Satoshi Morozumi at NEDO. Joe Eto of Lawrence Berkeley National Laboratory reviewed a draft of the article and provided helpful input. Chris Marnay's participation is supported by the U.S. Department of Energy and the U.S. Trade Development Administration. Alexis Kwasinski's contribution is funded by the U.S. National Science Foundation under a CAREER ECCS award #0845828. NR 0 TC 2 Z9 3 U1 2 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1540-7977 EI 1558-4216 J9 IEEE POWER ENERGY M JI IEEE Power Energy Mag. PD MAY-JUN PY 2015 VL 13 IS 3 BP 44 EP 57 DI 10.1109/MPE.2015.2397333 PG 14 WC Engineering, Electrical & Electronic SC Engineering GA CG9LH UT WOS:000353636100007 ER PT J AU Lian, JM Hu, JH Zak, SH AF Lian, Jianming Hu, Jianghai Zak, Stanislaw H. TI Variable Neural Adaptive Robust Control: A Switched System Approach SO IEEE TRANSACTIONS ON NEURAL NETWORKS AND LEARNING SYSTEMS LA English DT Article DE Adaptive robust control; piecewise quadratic Lyapunov function; self-organizing approximator; uncertain system; variable-structure neural network ID MIMO NONLINEAR-SYSTEMS; OUTPUT-FEEDBACK CONTROL; LYAPUNOV FUNCTIONS; HYBRID SYSTEMS; NETWORKS; APPROXIMATION AB Variable neural adaptive robust control strategies are proposed for the output tracking control of a class of multiinput multioutput uncertain systems. The controllers incorporate a novel variable-structure radial basis function (RBF) network as the self-organizing approximator for unknown system dynamics. It can determine the network structure online dynamically by adding or removing RBFs according to the tracking performance. The structure variation is systematically considered in the stability analysis of the closed-loop system using a switched system approach with the piecewise quadratic Lyapunov function. The performance of the proposed variable neural adaptive robust controllers is illustrated with simulations. C1 [Lian, Jianming] Purdue Univ, W Lafayette, IN 47907 USA. [Hu, Jianghai; Zak, Stanislaw H.] Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA. RP Lian, JM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jianming.lian@pnnl.gov; jianghai@ecn.purdue.edu; zak@purdue.edu NR 33 TC 0 Z9 0 U1 1 U2 13 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2162-237X EI 2162-2388 J9 IEEE T NEUR NET LEAR JI IEEE Trans. Neural Netw. Learn. Syst. PD MAY PY 2015 VL 26 IS 5 BP 903 EP 915 DI 10.1109/TNNLS.2014.2327853 PG 13 WC Computer Science, Artificial Intelligence; Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA CG2RM UT WOS:000353122400002 PM 25881366 ER PT J AU Shih, C Katoh, Y Ozawa, K Lara-Curzio, E Snead, L AF Shih, Chunghao Katoh, Yutai Ozawa, Kazumi Lara-Curzio, Edgar Snead, Lance TI Through Thickness Mechanical Properties of Chemical Vapor Infiltration and Nano-Infiltration and Transient Eutectic-Phase Processed SiC/SiC Composites SO International Journal of Applied Ceramic Technology LA English DT Article ID CARBIDE COMPOSITES; SHEAR-STRENGTH; MICROSTRUCTURE; INPLANE AB The through thickness (interlaminar) shear strength and trans-thickness tensile strength of three different nuclear-grade SiC/SiC composites were evaluated at room temperature by the double-notched shear and diametral compression tests, respectively. With increasing densification of the interlaminar matrix region, a transition in failure locations from interlayer to intrafiber bundle was observed, along with significant increases in the value of the interlaminar shear strength. Under trans-thickness tensile loading, cracks were found to propagate easily in the unidirectional composite. The 2D woven composite had a higher trans-thickness tensile strength (38MPa) because the failure mode involved debonding, fiber pull-out and fiber failure. C1 [Shih, Chunghao; Katoh, Yutai; Ozawa, Kazumi; Lara-Curzio, Edgar; Snead, Lance] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Shih, C (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008,MS 6138, Oak Ridge, TN 37831 USA. EM shihc@ornl.gov FU Office of Fusion Energy Science, U.S. Department of Energy [DE-AC0500OR22725]; UT-Batelle, LLC. FX Supported by the Office of Fusion Energy Science, U.S. Department of Energy under contract DE-AC0500OR22725 with UT-Batelle, LLC. NR 28 TC 2 Z9 2 U1 0 U2 9 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1546-542X EI 1744-7402 J9 INT J APPL CERAM TEC JI Int. J. Appl. Ceram. Technol. PD MAY-JUN PY 2015 VL 12 IS 3 BP 481 EP 490 DI 10.1111/ijac.12256 PG 10 WC Materials Science, Ceramics SC Materials Science GA CG6CG UT WOS:000353382500001 ER PT J AU Ferraris, M Ventrella, A Salvo, M Katoh, Y Gross, D AF Ferraris, Monica Ventrella, Andrea Salvo, Milena Katoh, Yutai Gross, Dietmar TI Torsional Shear Strength Tests for Glass-Ceramic Joined Silicon Carbide SO INTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY LA English DT Article AB A torsion test on hour-glass-shaped samples with a full joined or a ring-shaped joined area was chosen to measure shear strength of glass-ceramic joined silicon carbide. Shear strength of about 100 MPa was measured for full joined SiC with fracture completely inside their joined area. Attempts to obtain this shear strength with a ring-shaped joined area failed due to mixed mode fractures. On the contrary, full joined and ring-shaped steel hour-glasses joined by a glass-ceramic gave the same shear strength, thus suggesting that this test measures shear strength of joined components only when their fracture is completely inside their joined area. C1 [Ferraris, Monica; Ventrella, Andrea; Salvo, Milena] Politecn Torino, Dept Appl Sci & Technol, I-10129 Turin, Italy. [Katoh, Yutai] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Gross, Dietmar] Tech Univ Darmstadt, Div Solid Mech, D-64289 Darmstadt, Germany. RP Ferraris, M (reprint author), Politecn Torino, Dept Appl Sci & Technol, I-10129 Turin, Italy. EM milena.salvo@polito.it FU Bilateral Project Japan-Italy - Italian Foreign Ministry (Progetti di Grande Rilevanza Nazionale); US-Japan TITAN fusion blanket engineering and materials collaboration program; European Union FX The authors would like to thank Dr S. Han for her helpful experimental activity. These results are part of an international project involving ORNL (U.S.A.), Kyoto University (Japan), and Politecnico di Torino (Italy). The aim of the collaboration was to design and test reliable, low activation/transmutation materials as joining material for SiC and SiC/SiC, and to find a test suitable to measure the shear strength of joined SiC and SiC/SiC before and after neutron irradiation. This work was supported in part by the Bilateral Project Japan-Italy funded by the Italian Foreign Ministry (Progetti di Grande Rilevanza Nazionale 2010-2013), US-Japan TITAN fusion blanket engineering and materials collaboration program and by the European Union's Seventh Framework Programme managed by REA-Research Executive Agency http://ec.europa.eu/research/rea, and it participates in a Marie Curie Action (GlaCERCo GA 264526). NR 16 TC 3 Z9 3 U1 1 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1546-542X EI 1744-7402 J9 INT J APPL CERAM TEC JI Int. J. Appl. Ceram. Technol. PD MAY-JUN PY 2015 VL 12 IS 3 BP 693 EP 699 DI 10.1111/ijac.12248 PG 7 WC Materials Science, Ceramics SC Materials Science GA CG6CG UT WOS:000353382500025 ER PT J AU Yoon, S Cruz-Garcia, C Sanford, R Ritalahti, KM Loffler, FE AF Yoon, Sukhwan Cruz-Garcia, Claribel Sanford, Robert Ritalahti, Kirsti M. Loeffler, Frank E. TI Denitrification versus respiratory ammonification: environmental controls of two competing dissimilatory NO3-/NO2- reduction pathways in Shewanella loihica strain PV-4 SO ISME JOURNAL LA English DT Article ID 16S RIBOSOMAL-RNA; REAL-TIME PCR; NITRATE REDUCTION; NITRITE REDUCTASE; NITROUS-OXIDE; CYTOCHROME-OXIDASE; BENTHIC METABOLISM; ONEIDENSIS MR-1; TROPICAL FOREST; PH-DEPENDENCE AB Denitrification and respiratory ammonification are two competing, energy-conserving NO3-/NO2- reduction pathways that have major biogeochemical consequences for N retention, plant growth and climate. Batch and continuous culture experiments using Shewanella loihica strain PV-4, a bacterium possessing both the denitrification and respiratory ammonification pathways, revealed factors that determine NO3-/NO2- fate. Denitrification dominated at low carbon-to-nitrogen (C/N) ratios (that is, electron donor-limiting growth conditions), whereas ammonium was the predominant product at high C/N ratios (that is, electron acceptor-limiting growth conditions). pH and temperature also affected NO3-/NO2- fate, and incubation above pH 7.0 and temperatures of 30 degrees C favored ammonium formation. Reverse-transcriptase real-time quantitative PCR analyses correlated the phenotypic observations with nirK and nosZ transcript abundances that decreased up to 1600-fold and 27-fold, respectively, under conditions favoring respiratory ammonification. Of the two nrfA genes encoded on the strain PV-4 genome, nrfA(0844) transcription decreased only when the chemostat reactor received medium with the lowest C/N ratio of 1.5, whereas nrfA(0505) transcription occurred at low levels (<= 3.4 x 10(-2) transcripts per cell) under all growth conditions. At intermediate C/N ratios, denitrification and respiratory ammonification occurred concomitantly, and both nrfA(0844) (5.5 transcripts per cell) and nirK (0.88 transcripts per cell) were transcribed. Recent findings suggest that organisms with both the denitrification and respiratory ammonification pathways are not uncommon in soil and sediment ecosystems, and strain PV-4 offers a tractable experimental system to explore regulation of dissimilatory NO3-/NO2- reduction pathways. C1 [Yoon, Sukhwan; Ritalahti, Kirsti M.; Loeffler, Frank E.] Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37996 USA. [Yoon, Sukhwan; Ritalahti, Kirsti M.; Loeffler, Frank E.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [Yoon, Sukhwan] Korea Adv Inst Sci & Technol, Dept Civil & Environm Engn, Taejon 305701, South Korea. [Cruz-Garcia, Claribel] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. [Sanford, Robert] Univ Illinois, Dept Geol, Urbana, IL 61801 USA. [Ritalahti, Kirsti M.; Loeffler, Frank E.] Univ Tennessee, Oak Ridge, TN USA. [Ritalahti, Kirsti M.; Loeffler, Frank E.] Oak Ridge Natl Lab UT ORNL, JIBS, Oak Ridge, TN USA. [Ritalahti, Kirsti M.; Loeffler, Frank E.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Loeffler, Frank E.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. RP Loffler, FE (reprint author), Univ Tennessee, Dept Microbiol, M409 Walters Life Sci, Knoxville, TN 37996 USA. EM frank.loeffler@utk.edu RI Yoon, Sukhwan/I-1605-2014; Yoon, Sukhwan/E-2503-2017 OI Yoon, Sukhwan/0000-0002-9933-7054 FU US Department of Energy, Office of Biological and Environmental Research, Genomic Science Program [DE-SC0006662] FX This research was supported by the US Department of Energy, Office of Biological and Environmental Research, Genomic Science Program, Award DE-SC0006662. NR 63 TC 17 Z9 18 U1 18 U2 81 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 MAY PY 2015 VL 9 IS 5 BP 1093 EP 1104 DI 10.1038/ismej.2014.201 PG 12 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA CG5SH UT WOS:000353354100004 PM 25350157 ER PT J AU Beier, S Rivers, AR Moran, MA Obernosterer, I AF Beier, Sara Rivers, Adam R. Moran, Mary Ann Obernosterer, Ingrid TI Phenotypic plasticity in heterotrophic marine microbial communities in continuous cultures SO ISME JOURNAL LA English DT Article ID ENVIRONMENT; BIODIVERSITY; DIVERSITY; SEQUENCE; SEARCH; BLAST AB Phenotypic plasticity (PP) is the development of alternate phenotypes of a given taxon as an adaptation to environmental conditions. Methodological limitations have restricted the quantification of PP to the measurement of a few traits in single organisms. We used metatranscriptomic libraries to overcome these challenges and estimate PP using the expressed genes of multiple heterotrophic organisms as a proxy for traits in a microbial community. The metatranscriptomes captured the expression response of natural marine bacterial communities grown on differing carbon resource regimes in continuous cultures. We found that taxa with different magnitudes of PP coexisted in the same cultures, and that members of the order Rhodobacterales had the highest levels of PP. In agreement with previous studies, our results suggest that continuous culturing may have specifically selected for taxa featuring a rather high range of PP. On average, PP and abundance changes within a taxon contributed equally to the organism's change in functional gene abundance, implying that both PP and abundance mediated observed differences in community function. However, not all functional changes due to PP were directly reflected in the bulk community functional response: gene expression changes in individual taxa due to PP were partly masked by counterbalanced expression of the same gene in other taxa. This observation demonstrates that PP had a stabilizing effect on a community's functional response to environmental change. C1 [Beier, Sara; Obernosterer, Ingrid] CNRS, Lab Oceanog Microbienne, UMR 7621, Banyuls Sur Mer, France. [Beier, Sara; Obernosterer, Ingrid] Univ Paris 06, Sorbonne Univ, Lab Oceanog Microbienne, Observ Oceanol,UMR 7621, Banyuls Sur Mer, France. [Rivers, Adam R.] US Dept, Energy Joint Genome Inst, Walnut Creek, CA USA. [Moran, Mary Ann] Univ Georgia, Dept Marine Sci, Athens, GA 30602 USA. RP Beier, S (reprint author), Leibniz Inst Balt Sea Res Warnemunde, Seestr 15, D-18119 Rostock, Germany. EM sara.beier@io-warnemuende.de RI Obernosterer, Ingrid/A-5434-2011; OI Moran, Mary Ann/0000-0002-0702-8167 FU Agence Nationale de la Recherche (ANR, Project BACCIO, A Biomolecular Approach to the Cycling of Carbon and Iron in the Ocean) [ANR-08-BLAN-0 309]; Gordon and Betty Moore Foundation [538.01] FX We appreciate Shalabh Sharma, Marcelino Suzuki, Michel Krawczyk and Olivier Lagrasse for assistance with bioinformatics analyses and we appreciate Stephane Blain for help during the experimental setup. This work was supported by grants from the Agence Nationale de la Recherche (ANR, Project BACCIO, A Biomolecular Approach to the Cycling of Carbon and Iron in the Ocean, ANR-08-BLAN-0 309) and the Gordon and Betty Moore Foundation (Grant no. 538.01). NR 28 TC 1 Z9 1 U1 1 U2 17 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 MAY PY 2015 VL 9 IS 5 BP 1141 EP 1151 DI 10.1038/ismej.2014.206 PG 11 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA CG5SH UT WOS:000353354100008 PM 25397947 ER PT J AU Hovanski, Y Carsley, JE Clarke, KD Krajewski, PE AF Hovanski, Yuri Carsley, John E. Clarke, Kester D. Krajewski, Paul E. TI Friction-Stir Welding and Processing SO JOM LA English DT Editorial Material C1 [Hovanski, Yuri] Pacific NW Natl Lab, Richland, WA 99352 USA. [Carsley, John E.; Krajewski, Paul E.] Gen Motors Co, Warren, MI USA. [Clarke, Kester D.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Hovanski, Y (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yuri.hovanski@pnnl.gov; john.carsley@gm.com; kclarke@lanl.gov; paul.e.krajewski@gm.com NR 0 TC 0 Z9 0 U1 2 U2 19 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD MAY PY 2015 VL 67 IS 5 BP 996 EP 997 DI 10.1007/s11837-015-1397-5 PG 2 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA CG4BD UT WOS:000353224600014 ER PT J AU Upadhyay, P Reynolds, AP AF Upadhyay, Piyush Reynolds, Anthony P. TI Thermal Management in Friction-Stir Welding of Precipitation-Hardened Aluminum Alloys SO JOM LA English DT Article ID GENERATION; PARAMETERS AB Process design and implementation in friction-stir welding (FSW) is mostly dependent on empirical information. Basic science of FSW and processing can only be complete when fundamental interrelationships between the process control parameters and response variables and the resulting weld microstructure and properties are established to a reasonable extent. It is known that primary process control parameters such as tool rotation, translation rates, and forge axis force have complicated and interactive relationships to process-response variables such as peak temperature and time at temperature. Of primary influence on the other process-response parameters are temperature and its gradient in the deformation and heat-affected zones. Through a review of pertinent works in the literature and results from boundary condition experiments performed in precipitation-hardening aluminum alloys, this article partially elucidates the nature and effects of temperature transients caused by variation of thermal boundaries in FSW. C1 [Upadhyay, Piyush] Pacific NW Natl Lab, Richland, WA 99354 USA. [Reynolds, Anthony P.] Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. RP Upadhyay, P (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM Piyush.Upadhyay@pnnl.gov FU Center for Friction Stir Processing, a National Science Foundation I/UCRC program [EEC-0437341] FX The authors acknowledge the financial support of the Center for Friction Stir Processing, which is a National Science Foundation I/UCRC program (Grant No. EEC-0437341). The authors thank Dr. Wei Tang and Daniel Wilhelm, Department of Mechanical Engineering, University of South Carolina, Columbia, SC, for their help in preparing the weld joints. NR 31 TC 3 Z9 3 U1 2 U2 16 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD MAY PY 2015 VL 67 IS 5 BP 1022 EP 1031 DI 10.1007/s11837-015-1381-0 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA CG4BD UT WOS:000353224600018 ER PT J AU Hovanski, Y Upadhyay, P Carsley, J Luzanski, T Carlson, B Eisenmenger, M Soulami, A Marshall, D Landino, B Hartfield-Wunsch, S AF Hovanski, Yuri Upadhyay, Piyush Carsley, John Luzanski, Tom Carlson, Blair Eisenmenger, Mark Soulami, Ayoub Marshall, Dustin Landino, Brandon Hartfield-Wunsch, Susan TI High-Speed Friction-Stir Welding to Enable Aluminum Tailor-Welded Blanks SO JOM LA English DT Article ID FORMABILITY; SHEETS AB Current welding technologies for production of aluminum tailor-welded blanks (TWBs) are utilized in low-volume and niche applications, and they have yet to be scaled for the high-volume vehicle market. This study targeted further weight reduction, part reduction, and cost savings by enabling tailor-welded blank technology for aluminum alloys at high volumes. While friction-stir welding (FSW) has been traditionally applied at linear velocities less than 1 m/min, high-volume production applications demand the process be extended to higher velocities more amenable to cost-sensitive production environments. Unfortunately, weld parameters and performance developed and characterized at low-to-moderate welding velocities do not directly translate to high-speed linear FSW. Therefore, to facilitate production of high-volume aluminum FSW components, parameters were developed with a minimum welding velocity of 3 m/min. With an emphasis on weld quality, welded blanks were evaluated for postweld formability using a combination of numerical and experimental methods. An evaluation across scales was ultimately validated by stamping full-size production door inner panels made from dissimilar thickness aluminum TWBs, which provided validation of the numerical and experimental analysis of laboratory-scale tests. C1 [Hovanski, Yuri; Upadhyay, Piyush; Soulami, Ayoub] Pacific NW Natl Lab, Richland, WA 99352 USA. [Carsley, John; Carlson, Blair; Hartfield-Wunsch, Susan] Gen Motors Co, Warren, MI USA. [Luzanski, Tom; Eisenmenger, Mark; Marshall, Dustin] TWB Co LLC, Monroe, MI USA. [Landino, Brandon] Alcoa Inc, Farmington Hills, MI USA. RP Hovanski, Y (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM yuri.hovanski@pnnl.gov FU Department of Energy-EERE-Vehicle Technology Office's Lightweight Materials Program FX The authors gratefully acknowledge funding from the Department of Energy-EERE-Vehicle Technology Office's Lightweight Materials Program under the direction of Mr. William Joost. The data shared herein was developed as part of a collaborative effort between the Pacific Northwest National Laboratory, General Motors Company, TWB Company, and Alcoa Inc. NR 28 TC 0 Z9 1 U1 6 U2 20 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD MAY PY 2015 VL 67 IS 5 BP 1045 EP 1053 DI 10.1007/s11837-015-1384-x PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA CG4BD UT WOS:000353224600020 ER PT J AU Moser, D Pannala, S Murthy, J AF Moser, Daniel Pannala, Sreekanth Murthy, Jayathi TI Computation of Effective Radiative Properties of Powders for Selective Laser Sintering Simulations SO JOM LA English DT Article ID HEAT-TRANSFER; PACKED-BEDS AB Selective laser sintering (SLS) is an additive manufacturing technique for rapidly creating parts directly from a computer-aided design (CAD) model by using a laser to fuse successive layers of powder. However, better understanding of the effect of particle-level variations on the overall build quality is needed. In this work, we investigated these effects computationally by considering the role of the particle size distribution and variations in the powder bed depth to mimic the part complexity found in overhangs and protrusions. In addition, the results from these studies can be distilled to obtain better effective material properties such as laser absorptivity and laser extinction coefficient that are needed for continuum models of the process. We implement a Monte Carlo ray-tracing algorithm within the discrete element model in the open-source simulation software MFiX. Random, loose-packed, particle bed structures are generated, and effective absorptivity and extinction coefficients are calculated. Results are compared against previous computational and experimental measurements for free, monodisperse, and deep powder beds, with good agreement being obtained. Correlations along with uncertainties are developed to allow the effective absorptivity and extinction coefficient as a function of various particle and operational parameters to be accurately set in SLS macroscale models. C1 [Moser, Daniel; Murthy, Jayathi] Univ Texas Austin, Dept Mech Engn, Austin, TX 78712 USA. [Pannala, Sreekanth] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Moser, D (reprint author), Univ Texas Austin, Dept Mech Engn, 204 E Dean Keeton St,Stop C2200,ETC 2 5-160, Austin, TX 78712 USA. EM danrmoser@utexas.edu NR 13 TC 1 Z9 1 U1 2 U2 37 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD MAY PY 2015 VL 67 IS 5 BP 1194 EP 1202 DI 10.1007/s11837-015-1386-8 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA CG4BD UT WOS:000353224600038 ER PT J AU Wei, X Jang, G Roper, DK AF Wei, X. Jang, G. Roper, D. K. TI Spectrophotometric determination of tin(II) by redox reaction using 3,3',5,5'-tetramethylbenzidine dihydrochloride and N-bromosuccinimide SO JOURNAL OF ANALYTICAL CHEMISTRY LA English DT Article DE tin(II) quantification; spectrophotometric method; TMB; NBS; redox ID TRACE SN(II); OXIDATION; ELECTRODE; SAMPLES; KITS; 3,5,3,5-TETRAMETHYLBENZIDINE; FLUORESCENCE; ENSEMBLES; CHLORIDE; BISMUTH AB A rapid, straightforward spectrophotometric method based on the redox reaction of tin(II) with a mixture of N-bromosuccinimide (NBS) and 3,3',5,5'-tetramethylbenzidine dihydrochloride (TMB) was developed for determining low concentrations of tin(II). The redox method improved sensitivity by 2.3-fold relative to the existing spectrophotometric methods by titrating tin(II) into an equimolar solution of colorimetric reagent TMB and oxidant NBS buffered with acetate to pH between 4.0 and 4.4 at 25A degrees C. The spectral absorption at 452 nm was linear with respect to tin(II) concentration between the limit of quantitation (LOQ, 10 sigma) of 0.05 and 0.34 mu g/mL over which a response curve was generated (R (2) = 0.9981, n = 7). The limit of detection (LOD) was calculated (3 sigma) at 0.01 mu g/mL. Deviation between actual and measured concentrations varied from 0.014 mu g/mL near the LOQ to 0.042 at 0.255 mu g/mL. C1 [Wei, X.; Roper, D. K.] Univ Arkansas, Ralph E Dept Chem Engn, Fayetteville, AR 72701 USA. [Jang, G.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Wei, X (reprint author), Univ Arkansas, Ralph E Dept Chem Engn, 3202 Bell Engn Ctr, Fayetteville, AR 72701 USA. EM dkroper@uark.edu FU NSF [ECCS-1006927, CBET-1134222]; University of Arkansas Foundation; Walton Family Charitable Foundation FX This work was supported in part by NSF ECCS-1006927, NSF CBET-1134222, the University of Arkansas Foundation, and the Walton Family Charitable Foundation. We thank P. Blake, K. Vickers, and members of the NanoBio Photonics Laboratory at the University of Arkansas for insights and discussion. NR 33 TC 1 Z9 1 U1 4 U2 15 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 1061-9348 EI 1608-3199 J9 J ANAL CHEM+ JI J. Anal. Chem. PD MAY PY 2015 VL 70 IS 5 BP 566 EP 572 DI 10.1134/S1061934815050159 PG 7 WC Chemistry, Analytical SC Chemistry GA CG4WL UT WOS:000353288100007 ER PT J AU Fritz, BG Barnett, JM Snyder, SF Bisping, LE Rishel, JP AF Fritz, Bradley G. Barnett, J. Matthew Snyder, Sandra F. Bisping, Lynn E. Rishel, Jeremy P. TI Development of criteria used to establish a background environmental monitoring station SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Background monitoring; Environmental monitoring; Airborne Radioactivity; Air Sampling AB It is generally considered necessary to measure concentrations of contaminants-of-concern at a background location when conducting atmospheric environmental surveillance. This is because it is recognized that measurements of background concentrations can enhance interpretation of environmental monitoring data. Despite the recognized need for background measurements, there is little published guidance available that describes how to identify an appropriate atmospheric background monitoring location. This paper develops generic criteria that can guide the decision making process for identifying suitable locations for background atmospheric monitoring station, Detailed methods for evaluating some of these criteria are also provided and a case study for establishment of an atmospheric background surveillance station as part of an environmental surveillance program is described. While the case study focuses on monitoring for radionuclides, the approach is equally valid for any airborne constituent being monitored. The case study shows that implementation of the developed criteria can result in a good, defensible choice for a background atmospheric monitoring location. (C) 2015 The Authors. Published by Elsevier Ltd. C1 [Fritz, Bradley G.; Barnett, J. Matthew; Snyder, Sandra F.; Bisping, Lynn E.; Rishel, Jeremy P.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Fritz, BG (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. EM Bradley.Fritz@pnnl.gov OI Snyder, Sandra/0000-0001-5826-1324 FU Effluent Management Group at Pacific Northwest National Laboratory under U.S. Department of Energy [DE-AC05-76RL01830] FX The authors would like to thank the Effluent Management Group at Pacific Northwest National Laboratory for funding this effort under U.S. Department of Energy contract DE-AC05-76RL01830. Additionally, Julia Flaherty provided an excellent internal peer review which was greatly appreciated. NR 24 TC 1 Z9 2 U1 0 U2 3 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 MAY PY 2015 VL 143 BP 52 EP 57 DI 10.1016/j.jenvrad.2015.02.010 PG 6 WC Environmental Sciences SC Environmental Sciences & Ecology GA CG2HX UT WOS:000353096600008 PM 25728194 ER PT J AU Kim, YH Yiacoumi, S Tsouris, C AF Kim, Yong-ha Yiacoumi, Sotira Tsouris, Costas TI Surface charge accumulation of particles containing radionuclides in open air SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY LA English DT Article DE Radioactivity transport; Radioactive particles; Radioactivity-induced charge; Radioactive plume modeling; Nuclear plant accidents; Ionization of air ID POWER-PLANT ACCIDENT; RADIOACTIVE PARTICLES; ELECTRICAL PARAMETERS; SIZE DISTRIBUTIONS; CHERNOBYL ACCIDENT; DYNAMIC BEHAVIOR; LOWER ATMOSPHERE; AEROSOLS; TRANSPORT; DEPOSITION AB Radioactivity can induce charge accumulation on radioactive particles. However, electrostatic interactions caused by radioactivity are typically neglected in transport modeling of radioactive plumes because it is assumed that ionizing radiation leads to charge neutralization. The assumption that electrostatic interactions caused by radioactivity are negligible is evaluated here by examining charge accumulation and neutralization on particles containing radionuclides in open air. A charge-balance model is employed to predict charge accumulation on radioactive particles. It is shown that particles containing short-lived radionuclides can be charged with multiple elementary charges through radioactive decay. The presence of radioactive particles can significantly modify the particle charge distribution in open air and yield an asymmetric bimodal charge distribution, suggesting that strong electrostatic particle interactions may occur during short- and long-range transport of radioactive particles. Possible effects of transported radioactive particles on electrical properties of the local atmosphere are reported. The study offers insight into transport characteristics of airborne radionuclides. Results are useful in atmospheric transport modeling of radioactive plumes. (C) 2015 Elsevier Ltd. All rights reserved. C1 [Kim, Yong-ha; Yiacoumi, Sotira; Tsouris, Costas] Georgia Inst Technol, Atlanta, GA 30332 USA. [Tsouris, Costas] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yiacoumi, S (reprint author), Georgia Inst Technol, Atlanta, GA 30332 USA. EM sotira.yiacoumi@ce.gatech.edu RI Tsouris, Costas/C-2544-2016 OI Tsouris, Costas/0000-0002-0522-1027 FU Defense Threat Reduction Agency [DTRA1-08-10-BRCWMD-BAA]; UT-Battelle, LLC - U.S. Department of Energy [DEAC05-00OR22725] FX This work was supported by the Defense Threat Reduction Agency under grant number DTRA1-08-10-BRCWMD-BAA. The manuscript has been co-authored by UT-Battelle, LLC, under Contract No. DEAC05-00OR22725 with the U.S. Department of Energy. NR 54 TC 1 Z9 1 U1 1 U2 15 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 MAY PY 2015 VL 143 BP 91 EP 99 DI 10.1016/j.jenvrad.2015.02.017 PG 9 WC Environmental Sciences SC Environmental Sciences & Ecology GA CG2HX UT WOS:000353096600014 PM 25752704 ER PT J AU Chamon, LC Gasques, LR Nobre, GPA Rossi, ES Deboer, RJ Seymour, C Wiescher, M Kiss, GG AF Chamon, L. C. Gasques, L. R. Nobre, G. P. A. Rossi, E. S., Jr. deBoer, R. J. Seymour, C. Wiescher, M. Kiss, G. G. TI Evidence of a slight nuclear transparency in the alpha-nucleus systems SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article DE nuclear reactions; elastic scattering; optical models ID REACTION CROSS-SECTIONS; MEDIUM-WEIGHT NUCLEI; EXCITATION-FUNCTIONS; ELASTIC-SCATTERING; COULOMB BARRIER; INELASTIC-SCATTERING; MODEL POTENTIALS; LOW ENERGIES; ISOTOPES; PROBABILITY AB In earlier works, we proposed a model for the nuclear potential of the alpha + alpha and alpha + C-12 systems. This theoretical model successfully described data related to the elastic and inelastic scattering processes as well as resonances that correspond to the capture reaction channel. In the present work, we extend the same model to obtain bare nuclear potentials for several alpha-nucleus systems. We adopt this interaction to analyze fusion, elastic, and inelastic scattering data within the context of the coupled-channel formalism. Our results indicate that, for these systems, the absorption of flux of the elastic channel at internal distances of interaction is not complete. In addition, we present new experimental angular distributions for the 2(+) inelastic target excitation of alpha on Te-120,Te-130. C1 [Chamon, L. C.; Gasques, L. R.; Rossi, E. S., Jr.] Univ Sao Paulo, Inst Fis, Dept Fis Nucl, BR-05315970 Sao Paulo, SP, Brazil. [Nobre, G. P. A.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. [Rossi, E. S., Jr.] Ctr Univ FIEO UNIFIEO, Osasco, SP, Brazil. [deBoer, R. J.; Seymour, C.; Wiescher, M.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. [Kiss, G. G.] Inst Nucl Res ATOMKI, H-4001 Debrecen, Hungary. RP Chamon, LC (reprint author), Univ Sao Paulo, Inst Fis, Dept Fis Nucl, Caixa Postal 66318, BR-05315970 Sao Paulo, SP, Brazil. EM lchamon@if.usp.br RI Kiss, Gabor/A-1259-2015; Chamon, Luiz/N-4591-2014 FU Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP); Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq); Office of Nuclear Physics, Office of Science of the US Department of Energy [DE-AC02-98CH10886]; Brookhaven Science Associates, LLC FX This work was partially supported by the Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP) and the Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq). The work at Brookhaven National Laboratory was sponsored by the Office of Nuclear Physics, Office of Science of the US Department of Energy under Contract No. DE-AC02-98CH10886 with Brookhaven Science Associates, LLC. NR 70 TC 2 Z9 2 U1 1 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 EI 1361-6471 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD MAY PY 2015 VL 42 IS 5 AR 055102 DI 10.1088/0954-3899/42/5/055102 PG 27 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA CG7CF UT WOS:000353459100006 ER PT J AU Caballero, FG Garcia-Mateo, C Miller, MK AF Caballero, F. G. Garcia-Mateo, C. Miller, M. K. TI Modern steels at atomic and nanometre scales SO MATERIALS SCIENCE AND TECHNOLOGY LA English DT Article DE Phase transformations; Bainite; Steels; Atom probe tomography (APT) ID LOW-CARBON STEEL; NANOCRYSTALLINE BAINITIC STEEL; DUAL-PHASE STEELS; MECHANICAL-PROPERTIES; NANOSTRUCTURED BAINITE; CARBIDE PRECIPITATION; ULTRAFINE; MICROSTRUCTURE; TEMPERATURE; FERRITE AB Processing bulk nanocrystalline materials for structural applications still poses a significant challenge, particularly in achieving an industrially viable process. Recent work in ferritic steels has proved that it is possible to move from ultrafine to nanoscale by exploiting the bainite reaction without the use of severe deformation, rapid heat treatment or mechanical processing. This new generation of steels has been designed in which transformation at low temperature leads to a nanoscale structure consisting of extremely fine, 20-40 nm thick plates of bainitic ferrite and films of retained austenite. A description of the characteristics and significance of this remarkable microstructure is provided here. C1 [Caballero, F. G.; Garcia-Mateo, C.] CSIC, CENIM, Natl Ctr Met Res, E-28040 Madrid, Spain. [Miller, M. K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Caballero, FG (reprint author), CSIC, CENIM, Natl Ctr Met Res, Avda Gregorio Amo 8, E-28040 Madrid, Spain. EM fgc@cenim.csic.es RI CABALLERO, FRANCISCA/A-4292-2008; Garcia-Mateo, Carlos/A-7752-2008 OI Garcia-Mateo, Carlos/0000-0002-4773-5077 FU Research Fund for Coal and Steel [RFSR-CT-2012-00017]; ORNL's Center for Nanophase Materials Sciences; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy FX The authors gratefully acknowledge the support of the Research Fund for Coal and Steel for funding this research under contract RFSR-CT-2012-00017. The APT research was performed through a user project supported by ORNL's Center for Nanophase Materials Sciences, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. The authors FGC and CGM would like to express their gratitude for the support given by Professor W. Swiatnicki and the NANOSTAL project. NR 46 TC 3 Z9 3 U1 1 U2 16 PU MANEY PUBLISHING PI LEEDS PA STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND SN 0267-0836 EI 1743-2847 J9 MATER SCI TECH-LOND JI Mater. Sci. Technol. PD MAY PY 2015 VL 31 IS 7 BP 764 EP 772 DI 10.1179/1743284714Y.0000000685 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA CG7HE UT WOS:000353472700003 ER PT J AU Tinker, SC Broussard, CS Frey, MT Gilboa, SM AF Tinker, Sarah C. Broussard, Cheryl S. Frey, Meghan T. Gilboa, Suzanne M. TI Prevalence of Prescription Medication Use Among Non-pregnant Women of Childbearing Age and Pregnant Women in the United States: NHANES, 1999-2006 SO MATERNAL AND CHILD HEALTH JOURNAL LA English DT Article DE Medication; Pregnancy; Women; Prescription; NHANES ID MATERNAL THYROID-DISEASE; OPIOID PAIN RELIEVERS; BIRTH-DEFECTS; DRUG-USE; HEALTH; POPULATION; OUTCOMES; TERATOGENICITY; PREVENTION; PATTERNS AB Many prescription medications have limited information regarding safety for use during pregnancy. In order to inform research on safer medication use during pregnancy, we examined prescription medication use among women in the United States. We analyzed data from the 1999-2006 National Health and Nutrition Examination Survey (NHANES) to estimate the prevalence of prescription medication use in the past 30 days among pregnant women and non-pregnant women of childbearing age (15-44 years) and to ascertain the most commonly reported prescription medications by women in these groups. We assessed how the most commonly reported medications differed among groups defined by selected demographic characteristics, including age, race/ethnicity, and markers of socioeconomic status. Prescription medication use in the past 30 days was reported by 22 % of pregnant women and 47 % of non-pregnant women of childbearing age. The most commonly reported prescription medications by NHANES participants differed somewhat by pregnancy status; allergy and anti-infective medications were more common among pregnant women, while oral contraceptives were more common among non-pregnant women. Use of prescription medication for asthma and thyroid disorders was reported by both groups. Although prescription medication use in the previous 30 days was less common among pregnant women than non-pregnant women, its use was reported among almost 1 in 4 pregnant women. Many of the most common medications reported were for the treatment of chronic medical conditions. Given the potential impact of medications on the developing fetus, our data underscore the importance of understanding the safety of these medications during pregnancy. C1 [Tinker, Sarah C.; Broussard, Cheryl S.; Frey, Meghan T.; Gilboa, Suzanne M.] Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, Atlanta, GA 30333 USA. [Frey, Meghan T.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Tinker, SC (reprint author), Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, Mail Stop E-86,1600 Clifton Rd, Atlanta, GA 30333 USA. EM zzu9@cdc.gov FU Centers for Disease Control and Prevention FX This work was supported in part by an appointment to the Research Participation Program at the Centers for Disease Control and Prevention administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and the Centers for Disease Control and Prevention. The findings and conclusions in this report are those of the authors and do not necessarily represent the official position of the Centers for Disease Control and Prevention. NR 52 TC 6 Z9 6 U1 3 U2 9 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1092-7875 EI 1573-6628 J9 MATERN CHILD HLTH J JI Matern. Child Health J. PD MAY PY 2015 VL 19 IS 5 BP 1097 EP 1106 DI 10.1007/s10995-014-1611-z PG 10 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA CG0SM UT WOS:000352978500018 PM 25287251 ER PT J AU Kaur, AP Nocek, BP Xu, XH Lowden, MJ Leyva, JF Stogios, PJ Cui, H Di Leo, R Powlowski, J Tsang, A Savchenko, A AF Kaur, Amrit Pal Nocek, Boguslaw P. Xu, Xiaohui Lowden, Michael J. Leyva, Juan Francisco Stogios, Peter J. Cui, Hong Di Leo, Rosa Powlowski, Justin Tsang, Adrian Savchenko, Alexei TI Functional and structural diversity in GH62 alpha-L-arabinofuranosidases from the thermophilic fungus Scytalidium thermophilum SO Microbial Biotechnology LA English DT Article ID GLYCOSIDE HYDROLASE FAMILY; GH43 BETA-XYLOSIDASE; MACROMOLECULAR STRUCTURES; ARABINOXYLAN-ARABINOFURANOHYDROLASE; ENZYMATIC-HYDROLYSIS; WHEAT ARABINOXYLAN; ASPERGILLUS-NIGER; CRYSTAL-STRUCTURE; MUSHROOM COMPOST; DIVALENT METAL AB The genome of the thermophilic fungus Scytalidium thermophilum (strain CBS 625.91) harbours a wide range of genes involved in carbohydrate degradation, including three genes, abf62A, abf62B and abf62C, predicted to encode glycoside hydrolase family 62 (GH62) enzymes. Transcriptome analysis showed that only abf62A and abf62C are actively expressed during growth on diverse substrates including straws from barley, alfalfa, triticale and canola. The abf62A and abf62C genes were expressed in Escherichia coli and the resulting recombinant proteins were characterized. Calcium-free crystal structures of Abf62C in apo and xylotriose bound forms were determined to 1.23 and 1.48 angstrom resolution respectively. Site-directed mutagenesis confirmed Asp55, Asp171 and Glu230 as catalytic triad residues, and revealed the critical role of non-catalytic residues Asp194, Trp229 and Tyr338 in positioning the scissile -L-arabinofuranoside bond at the catalytic site. Further, the +2R substrate-binding site residues Tyr168 and Asn339, as well as the +2NR residue Tyr226, are involved in accommodating long-chain xylan polymers. Overall, our structural and functional analysis highlights characteristic differences between Abf62A and Abf62C, which represent divergent subgroups in the GH62 family. C1 [Kaur, Amrit Pal; Xu, Xiaohui; Stogios, Peter J.; Cui, Hong; Di Leo, Rosa; Savchenko, Alexei] Univ Toronto, Dept Chem Engn & Appl Chem, Toronto, ON M5S 3E5, Canada. [Nocek, Boguslaw P.] Argonne Natl Lab, Struct Biol Ctr, Argonne, IL 60439 USA. [Lowden, Michael J.; Leyva, Juan Francisco; Powlowski, Justin; Tsang, Adrian] Concordia Univ, Ctr Struct & Funct Genom, Montreal, PQ H4B 1R6, Canada. [Powlowski, Justin] Concordia Univ, Dept Chem & Biochem, Montreal, PQ H4B 1R6, Canada. [Tsang, Adrian] Concordia Univ, Dept Biol, Montreal, PQ H4B 1R6, Canada. RP Savchenko, A (reprint author), Univ Toronto, Dept Chem Engn & Appl Chem, Toronto, ON M5S 3E5, Canada. EM alexei.savchenko@utoronto.ca OI Kaur, Amrit/0000-0002-6877-7591 FU Genome Canada; Genome Quebec; U.S. Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357] FX This work was supported by Genome Canada and Genome Quebec. The structure was resolved using facilities at the Structural Biology Center at the Advanced Photon Source supported by the U.S. Department of Energy, Office of Biological and Environmental Research, under contract DE-AC02-06CH11357. NR 51 TC 4 Z9 4 U1 0 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1751-7907 EI 1751-7915 J9 MICROB BIOTECHNOL JI Microb. Biotechnol. PD MAY PY 2015 VL 8 IS 3 BP 419 EP 433 DI 10.1111/1751-7915.12168 PG 15 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA CG4EP UT WOS:000353236500006 PM 25267315 ER PT J AU Collins, L Okatan, MB Li, Q Kravenchenko, II Lavrik, NV Kalinin, SV Rodriguez, BJ Jesse, S AF Collins, L. Okatan, M. B. Li, Q. Kravenchenko, I. I. Lavrik, N. V. Kalinin, S. V. Rodriguez, B. J. Jesse, S. TI Quantitative 3D-KPFM imaging with simultaneous electrostatic force and force gradient detection SO NANOTECHNOLOGY LA English DT Article DE Kelvin probe force microscopy; surface potential; 3D imaging; scanning probe microscopy ID KELVIN PROBE FORCE; CONTACT POTENTIAL DIFFERENCE; LABEL-FREE; MICROSCOPY; SURFACE; RESOLUTION; EXCITATION; INTERFACE; AMPLITUDE; ARTIFACT AB Kelvin probe force microscopy (KPFM) is a powerful characterization technique for imaging local electrochemical and electrostatic potential distributions and has been applied across a broad range of materials and devices. Proper interpretation of the local KPFM data can be complicated, however, by convolution of the true surface potential under the tip with additional contributions due to long range capacitive coupling between the probe (e.g. cantilever, cone, tip apex) and the sample under test. In this work, band excitation (BE)-KPFM is used to negate such effects. In contrast to traditional single frequency KPFM, multifrequency BE-KPFM is shown to afford dual sensitivity to both the electrostatic force and the force gradient detection, analogous to simultaneous amplitude modulated and frequency modulated KPFM imaging. BE-KPFM is demonstrated on a Pt/Au/SiOx test structure and electrostatic force gradient detection is found to lead to an improved lateral resolution compared to electrostatic force detection. Finally, a 3D-KPFM imaging technique is developed. Force volume (FV) BE-KPFM allows the tip-sample distance dependence of the electrostatic interactions (force and force gradient) to be recorded at each point across the sample surface. As such, FVBE-KPFM provides a much needed pathway towards complete tip-sample capacitive de-convolution in KPFM measurements and will enable quantitative surface potential measurements with nanoscale resolution. C1 [Collins, L.; Rodriguez, B. J.] Univ Coll Dublin, Sch Phys, Dublin 4, Ireland. [Collins, L.; Rodriguez, B. J.] Univ Coll Dublin, Conway Inst Biomol & Biomed Res, Dublin 4, Ireland. [Okatan, M. B.; Li, Q.; Kravenchenko, I. I.; Lavrik, N. V.; Kalinin, S. V.; Jesse, S.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Collins, L (reprint author), Univ Coll Dublin, Sch Phys, Dublin 4, Ireland. EM liam.collins@ucdconnect.ie; sjesse@ornl.gov RI Lavrik, Nickolay/B-5268-2011; Collins, Liam/A-3833-2016; Kalinin, Sergei/I-9096-2012; Jesse, Stephen/D-3975-2016; Okatan, M. Baris/E-1913-2016 OI Lavrik, Nickolay/0000-0002-9543-5634; Collins, Liam/0000-0003-4946-9195; Kalinin, Sergei/0000-0001-5354-6152; Jesse, Stephen/0000-0002-1168-8483; Okatan, M. Baris/0000-0002-9421-7846 FU Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy [CNMS2012-036]; UCD Research FX This publication has emanated from research conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy (CNMS2012-036). LC gratefully acknowledges financial support from UCD Research. NR 63 TC 5 Z9 5 U1 5 U2 55 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 EI 1361-6528 J9 NANOTECHNOLOGY JI Nanotechnology PD MAY 1 PY 2015 VL 26 IS 17 AR 175707 DI 10.1088/0957-4484/26/17/175707 PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA CG2NA UT WOS:000353110200017 PM 25851168 ER PT J AU Nenoff, TM AF Nenoff, Tina M. TI HYDROGEN PURIFICATION MOF membranes put to the test SO Nature Chemistry LA English DT News Item C1 Sandia Natl Labs, Phys Chem & Nano Sci Ctr, Albuquerque, NM 87185 USA. RP Nenoff, TM (reprint author), Sandia Natl Labs, Phys Chem & Nano Sci Ctr, POB 5800, Albuquerque, NM 87185 USA. EM tmnenof@sandia.gov NR 5 TC 7 Z9 7 U1 6 U2 84 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD MAY PY 2015 VL 7 IS 5 BP 377 EP 378 DI 10.1038/nchem.2218 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA CG5QI UT WOS:000353347900007 PM 25901812 ER PT J AU Rowland, CE Fedin, I Zhang, H Gray, SK Govorov, AO Talapin, DV Schaller, RD AF Rowland, Clare E. Fedin, Igor Zhang, Hui Gray, Stephen K. Govorov, Alexander O. Talapin, Dmitri V. Schaller, Richard D. TI Picosecond energy transfer and multiexciton transfer outpaces Auger recombination in binary CdSe nanoplatelet solids SO NATURE MATERIALS LA English DT Article ID COLLOIDAL QUANTUM-WELLS; SEMICONDUCTOR NANOCRYSTALS; ELECTRONIC-STRUCTURE; STIMULATED-EMISSION; OPTICAL GAIN; DIMENSIONALITY; NANOSHEETS; SYSTEMS AB Fluorescence resonance energy transfer (FRET) enables photosynthetic light harvesting(1), wavelength downconversion in light-emitting diodes(2) (LEDs), and optical biosensing schemes(3). The rate and efficiency of this donor to acceptor transfer of excitation between chromophores dictates the utility of FRET and can unlock new device operation motifs including quantum-funnel solar cells(4), non-contact chromophore pumping from a proximal LED5, and markedly reduced gain thresholds(6). However, the fastest reported FRET time constants involving spherical quantum dots (0.12-1 ns; refs 7-9) do not outpace biexciton Auger recombination (0.01-0.1 ns; ref. 10), which impedes multiexciton-driven applications including electrically pumped lasers(11) and carrier-multiplication-enhanced photovoltaics(12,13). Few-monolayerthick semiconductor nanoplatelets (NPLs) with tens-of-nanometre lateral dimensions(14) exhibit intense optical transitions(14) and hundreds-of-picosecond Auger recombination(15,16), but heretofore lack FRET characterizations. We examine binary CdSe NPL solids and show that interplate FRET (similar to 6-23 ps, presumably for co-facial arrangements) can occur 15-50 times faster than Auger recombination(15,16) and demonstrate multiexcitonic FRET, making such materials ideal candidates for advanced technologies. C1 [Rowland, Clare E.; Schaller, Richard D.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Fedin, Igor; Talapin, Dmitri V.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Fedin, Igor; Talapin, Dmitri V.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. [Zhang, Hui; Govorov, Alexander O.] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA. [Gray, Stephen K.; Talapin, Dmitri V.; Schaller, Richard D.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Schaller, RD (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM schaller@anl.gov RI Zhang, Hui/L-2700-2013 OI Zhang, Hui/0000-0001-5032-6621 FU National Science Foundation Graduate Research Fellowship [DGE-0824162]; NSF MRSEC Program [DMR 14-20709]; II-VI Foundation; Keck Foundation; US Army Research Office [W911NF-12-1-0407]; Volkswagen Foundation (Germany) FX This work was performed, in part, at the Center for Nanoscale Materials, a US Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility under Contract No. DE-AC02-06CH11357. C.E.R. acknowledges support by a National Science Foundation Graduate Research Fellowship under Grant No. DGE-0824162. D.V.T. acknowledges support by the NSF MRSEC Program under Award Number DMR 14-20709 and thanks the II-VI Foundation and Keck Foundation. H.Z. and A.O.G. acknowledge support by the US Army Research Office under grant number W911NF-12-1-0407 and the Volkswagen Foundation (Germany). NR 31 TC 37 Z9 37 U1 16 U2 112 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 MAY PY 2015 VL 14 IS 5 BP 484 EP 489 DI 10.1038/NMAT4231 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA CG5BQ UT WOS:000353305700013 PM 25774956 ER PT J AU Wilson, JJ Ferrier, M Radchenko, V Maassen, JR Engle, JW Batista, ER Martin, RL Nortier, FM Fassbender, ME John, KD Birnbaum, ER AF Wilson, Justin J. Ferrier, Maryline Radchenko, Valery Maassen, Joel R. Engle, Jonathan W. Batista, Enrique R. Martin, Richard L. Nortier, Francois M. Fassbender, Michael E. John, Kevin D. Birnbaum, Eva R. TI Evaluation of nitrogen-rich macrocyclic ligands for the chelation of therapeutic bismuth radioisotopes SO NUCLEAR MEDICINE AND BIOLOGY LA English DT Article DE Targeted alpha-therapy; Bismuth-213; Actinium-225; Radiolabeling; Radio-thin-layer chromatography; Macrocycles ID TARGETED ALPHA-THERAPY; NATURAL THORIUM TARGETS; RADIOIMMUNOTHERAPY APPLICATIONS; BASIS-SETS; AC-225/BI-213 GENERATOR; PARTICLE IMMUNOTHERAPY; LANTHANIDE COMPLEXES; MYELOID-LEUKEMIA; DONOR MACROCYCLE; AQUEOUS-SOLUTION AB Introduction: The use of a-emitting isotopes for radionuclide therapy is a promising treatment strategy for small micro-metastatic disease. The radioisotope Bi-213 is a nuclide that has found substantial use for targeted alpha-therapy (TAT). The relatively unexplored aqueous chemistry of Bi3+, however, hinders the development of bifunctional chelating agents that can successfully deliver these Bi radioisotopes to the tumor cells. Here, a novel series of nitrogen-rich macrocyclic ligands is explored for their potential use as Bi-selective chelating agents. Methods: The ligands, 1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetraazacyclododecane (L-py), tetrakis(3-pyridazylmethyl)-1,4,7,10-tetraazacyclododecane (L-pyd), 1,4,7,10-tetrakis(4-pyrimidylmethyl)-1,4,7,10-tetraazacyclododecane (L-pyr), and 1,4,7,10-tetrakis(2-pyrazinylmethyl)-1,4,7,10-tetraazacyclododecane (L-pz), were prepared by a previously reported method and investigated here for their abilities to bind Bi radioisotopes. The commercially available and commonly used ligands 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) and N-[(R)-2-amino-3-(p-isothiocyanato-phenyl)propyl]-trans-(S,S)- cyclohexane-1,2-diamine-N,N,N',N '',N ''-pentaacetic acid (CHX-A ''-DTPA) were also explored for comparative purposes. Radio-thin-layer chromatography (TLC) was used to measure the binding kinetics and stabilities of the complexes formed. The long-lived isotope, Bi-207 (t(1/2) = 32 years), was used for these studies. Density functional theory (DFT) calculations were also employed to probe the ligand interactions with Bi3+ and the generator parent ion Ac3+. Results: In contrast to DOTA and CHX-A ''-DTPA, these nitrogen-rich macrocycles selectively chelate Bi3+ in the presence of the parent isotope Ac3+. Among the four tested, L-py was found to exhibit optimal Bi3+-binding kinetics and complex stability. L-py complexes Bi3+ more rapidly than DOTA, yet the resulting complexes are of similar stability. DFT calculations corroborate the experimentally observed selectivity of these ligands for Bi3+ over Ac3+. Conclusion: Taken together, these data implicate L-py as a valuable chelating agent for the delivery of Bi-213. Its selectivity for Bi3+ and rapid and stable labeling properties warrant further investigation and biological studies. Published by Elsevier Inc. C1 [Wilson, Justin J.; Ferrier, Maryline; Radchenko, Valery; Maassen, Joel R.; Engle, Jonathan W.; Batista, Enrique R.; Martin, Richard L.; Nortier, Francois M.; Fassbender, Michael E.; John, Kevin D.; Birnbaum, Eva R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Wilson, JJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jjwilson@lanl.gov; eva@lanl.gov OI John, Kevin/0000-0002-6181-9330; Wilson, Justin/0000-0002-4086-7982; Nortier, Francois/0000-0002-7549-8101 FU LANL/LDRD program through a Seaborg Institute Postdoctoral and Graduate Student Summer Research Fellowship; US DOE through the LANL/LDRD program; United States Department of Energy, Office of Science via funding from the Isotope Development and Production for Research and Applications subprogram in the Office of Nuclear Physics; United States Department of Energy, Office of Science through Heavy Element Chemistry Program of BES FX JJW and MF acknowledge funding support via the LANL/LDRD program through a Seaborg Institute Postdoctoral and Graduate Student Summer Research Fellowship, respectively. JWE thanks the US DOE for a postdoctoral fellowship through the LANL/LDRD program. The research described in this paper was funded by the United States Department of Energy, Office of Science via funding from the Isotope Development and Production for Research and Applications subprogram in the Office of Nuclear Physics, and through the Heavy Element Chemistry Program of BES (RL Martin and ER Batista). The content of this manuscript has been reviewed and approved as LA-UR-14-28015. NR 87 TC 2 Z9 2 U1 7 U2 37 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0969-8051 EI 1872-9614 J9 NUCL MED BIOL JI Nucl. Med. Biol. PD MAY PY 2015 VL 42 IS 5 BP 428 EP 438 DI 10.1016/j.nucmedbio.2014.12.007 PG 11 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA CG5XK UT WOS:000353369000003 PM 25684650 ER EF